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| _______________________________________________________ | |
| __________//____________________________/////_________________/________ | |
| _________/__/____________/_____________/______________/_______/________ | |
| ________/____/___________/_____________/______________________/________ | |
| ________/____/__/_____/_/////___/////__/__////_/_///__/__////_/________ | |
| _______/______/_/_____/__/_____/_____/_/_____/_//___/_/_/____//________ | |
| _______////////_/_____/__/_____/_____/_/_____/_/______/_/_____/________ | |
| _______/______/_/____//__/___/_/_____/_/_____/_/______/_/____//________ | |
| _______/______/__////_/___///___/////___/////__/______/__////_/________ | |
| _______________________________________________________ | |
| ______ | |
| / \ | |
| / \ | |
| / \ | |
| \ /\ / | |
| \ / \ / | |
| \/ /\ \/ | |
| / \ | |
| /____\ | |
| ______________________________________ | |
| | | | |
| | AutoGrid 4.2.6 | | |
| | | | |
| | Garrett M. Morris, TSRI | | |
| | Ruth Huey, TSRI | | |
| | David S. Goodsell, TSRI | | |
| | Arthur J. Olson, TSRI | | |
| | | | |
| | (C) 1989-2009, TSRI | | |
| | The Scripps Research Institute | | |
| |______________________________________| | |
| ______________________________________ | |
| | | | |
| | Calculation of van der Waals, H-Bond,| | |
| | Electrostatic Potential Energy, & | | |
| | Desolvation Free Energy Grid Maps | | |
| | for AutoDock | | |
| | For help, email autodock@scripps.edu | | |
| |______________________________________| | |
| $Revision: 1.109 $ | |
| Compilation parameters: NUM_RECEPTOR_TYPES=20 NEINT=2048 | |
| MAX_MAPS=16 NDIEL=16384 MAX_ATOM_TYPES=14 | |
| energy_lookup table has 655360 entries of size 8 | |
| e_vdW_Hb table has 401408 entries of size 8 | |
| Maximum number of maps that can be computed = 16 (defined by MAX_MAPS in "autocomm.h"). | |
| This file was created at: 6:49 47" a.m., 02/27/2026 | |
| using: "ab1yh" | |
| GPF> npts 64 64 64 # num.grid points in xyz | |
| Number of grid points in x-direction: 65 | |
| Number of grid points in y-direction: 65 | |
| Number of grid points in z-direction: 65 | |
| GPF> gridfld 4WKQ_receptor_v5_SBr.maps.fld # grid_data_file | |
| Creating (AVS-readable) grid maps file : 4WKQ_receptor_v5_SBr.maps.fld | |
| Creating (AVS-readable) grid-coordinates extrema file : 4WKQ_receptor_v5_SBr.maps.xyz | |
| GPF> spacing 0.375 # spacing(A) | |
| Grid Spacing : 0.375 Angstrom | |
| GPF> receptor_types A C NA OA N SA HD # receptor atom types | |
| GPF> ligand_types A C F N NA Cl OA HD S SA Br # ligand atom types | |
| Atom type names for ligand atom types 1-11 used for ligand-atom affinity grid maps: | |
| Atom type number 0 corresponds to atom type name "A". | |
| Atom type number 1 corresponds to atom type name "C". | |
| Atom type number 2 corresponds to atom type name "F". | |
| Atom type number 3 corresponds to atom type name "N". | |
| Atom type number 4 corresponds to atom type name "NA". | |
| Atom type number 5 corresponds to atom type name "Cl". | |
| Atom type number 6 corresponds to atom type name "OA". | |
| Atom type number 7 corresponds to atom type name "HD". | |
| Atom type number 8 corresponds to atom type name "S". | |
| Atom type number 9 corresponds to atom type name "SA". | |
| Atom type number 10 corresponds to atom type name "Br". | |
| GPF> receptor receptorH_rigid.pdbqt # macromolecule | |
| Receptor Input File : receptorH_rigid.pdbqt | |
| Receptor Atom Type Assignments: | |
| Atom no. 1, " C " at (13.036, 216.837, 50.734), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2, " O " at (12.042, 216.989, 51.404), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3, " CA " at (14.386, 216.765, 51.468), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 4, " N " at (15.538, 216.263, 50.657), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 5, " CB " at (14.722, 218.100, 52.080), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 6, " H " at (16.325, 216.858, 50.362), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 7, " C " at (10.919, 215.459, 49.073), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 8, " O " at (11.504, 214.390, 49.171), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 9, " CA " at (11.693, 216.695, 48.683), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 10, " N " at (12.978, 216.706, 49.406), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 11, " CB " at (11.889, 216.627, 47.177), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 12, " CG " at (12.440, 217.886, 46.569), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 13, " SD " at (12.243, 217.905, 44.784), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 14, " CE " at (10.450, 217.994, 44.658), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 15, " H " at (13.854, 216.610, 48.873), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 16, " C " at (8.095, 213.879, 48.365), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 17, " O " at (8.479, 214.269, 47.219), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 18, " CA " at (8.770, 214.429, 49.624), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 19, " N " at (9.622, 215.598, 49.307), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 20, " H " at (9.199, 216.536, 49.268), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 21, " C " at (4.857, 212.985, 47.385), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 22, " O " at (4.221, 213.099, 48.397), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 23, " CA " at (6.294, 212.516, 47.438), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 24, " N " at (7.002, 213.124, 48.562), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 25, " CB " at (6.307, 210.995, 47.635), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 26, " CG " at (7.689, 210.419, 47.917), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 27, " CD " at (8.493, 210.372, 46.669), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 28, "OE1 " at (7.909, 210.496, 45.575), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 29, "OE2 " at (9.722, 210.197, 46.794), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 30, " H " at (6.657, 212.971, 49.521), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 31, " C " at (2.010, 212.403, 45.710), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 32, " O " at (2.464, 211.406, 45.114), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 33, " CA " at (2.936, 213.627, 46.020), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 34, " N " at (4.331, 213.173, 46.194), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 35, " CB " at (2.883, 214.570, 44.828), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 36, " H " at (4.908, 212.999, 45.359), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 37, " C " at (-0.332, 211.101, 44.254), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 38, " O " at (-0.152, 211.988, 43.419), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 39, " CA " at (-0.204, 211.404, 45.712), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 40, " N " at (0.721, 212.527, 45.987), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 41, " CB " at (-1.529, 211.848, 46.289), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 42, " CG " at (-1.335, 213.217, 46.784), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 43, " CD " at (0.086, 213.642, 46.678), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 44, " C " at (-2.345, 209.180, 42.503), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 45, " O " at (-2.876, 208.189, 43.041), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 46, " CA " at (-0.839, 209.419, 42.585), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 47, " N " at (-0.556, 209.824, 43.928), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 48, " CB " at (-0.087, 208.144, 42.226), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 49, " CG " at (-0.304, 207.740, 40.773), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 50, "OD1 " at (-1.218, 208.254, 40.106), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 51, "ND2 " at (0.514, 206.818, 40.272), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 52, "HD22" at (0.408, 206.512, 39.294), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 53, "HD21" at (1.254, 206.411, 40.862), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 54, " H " at (-0.524, 209.108, 44.668), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 55, " C " at (-5.083, 209.420, 40.637), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 56, " O " at (-6.280, 209.550, 40.393), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 57, " CA " at (-4.521, 210.001, 41.934), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 58, " N " at (-3.071, 210.098, 41.888), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 59, " CB " at (-5.176, 211.350, 42.251), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 60, " CG " at (-4.969, 211.837, 43.673), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 61, " CD " at (-5.495, 213.250, 43.867), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 62, "OE1 " at (-4.948, 214.212, 43.337), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 63, "NE2 " at (-6.535, 213.358, 44.540), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 64, "HE22" at (-6.945, 214.288, 44.709), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 65, "HE21" at (-6.987, 212.518, 44.928), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 66, " H " at (-2.615, 210.872, 41.383), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 67, " C " at (-5.914, 207.122, 39.020), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 68, " O " at (-6.024, 206.629, 40.146), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 69, " CA " at (-4.743, 208.003, 38.677), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 70, " N " at (-4.269, 208.704, 39.888), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 71, " CB " at (-3.634, 207.195, 38.042), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 72, " H " at (-3.277, 208.631, 40.154), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 73, " C " at (-7.805, 204.869, 37.498), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 74, " O " at (-7.456, 204.884, 36.335), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 75, " CA " at (-8.025, 206.159, 38.253), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 76, " N " at (-6.843, 206.990, 38.069), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 77, " CB " at (-9.289, 206.839, 37.733), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 78, " CG " at (-9.793, 208.095, 38.420), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 79, "CD1 " at (-11.132, 208.481, 37.765), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 80, "CD2 " at (-9.992, 207.919, 39.938), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 81, " H " at (-6.720, 207.492, 37.178), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 82, " C " at (-9.184, 201.958, 37.129), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 83, " O " at (-10.050, 201.751, 37.968), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 84, " CA " at (-7.821, 202.435, 37.548), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 85, " N " at (-7.977, 203.744, 38.170), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 86, " CB " at (-7.251, 201.457, 38.537), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 87, " CG " at (-6.973, 200.043, 38.018), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 88, "CD1 " at (-6.034, 200.066, 36.849), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 89, "CD2 " at (-6.401, 199.246, 39.179), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 90, " H " at (-8.230, 203.794, 39.167), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 91, " C " at (-10.882, 199.963, 35.197), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 92, " O " at (-9.994, 199.341, 34.626), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 93, " CA " at (-10.761, 201.476, 35.381), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 94, " N " at (-9.405, 201.813, 35.831), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 95, " CB " at (-11.074, 202.196, 34.066), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 96, " CG " at (-12.580, 202.181, 33.786), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 97, " CD " at (-12.876, 202.773, 32.412), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 98, " NE " at (-14.309, 202.695, 32.092), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 99, " HE " at (-14.889, 202.045, 32.642), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 100, " CZ " at (-14.908, 203.408, 31.139), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 101, "NH1 " at (-14.217, 204.287, 30.419), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 102, "NH2 " at (-16.205, 203.254, 30.893), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 103, "HH12" at (-14.688, 204.834, 29.684), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 104, "HH11" at (-13.211, 204.421, 30.596), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 105, "HH22" at (-16.659, 203.810, 30.154), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 106, "HH21" at (-16.757, 202.579, 31.441), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 107, " H " at (-8.641, 201.934, 35.151), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 108, " C " at (-13.216, 197.754, 34.597), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 109, " O " at (-14.341, 198.206, 34.737), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 110, " CA " at (-12.188, 197.983, 35.698), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 111, " N " at (-11.941, 199.406, 35.732), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 112, " CB " at (-12.814, 197.457, 36.998), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 113, "CG2 " at (-13.080, 195.956, 36.886), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 114, "CG1 " at (-11.969, 197.776, 38.238), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 115, "CD1 " at (-10.518, 197.460, 38.112), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 116, " H " at (-12.630, 200.012, 36.199), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 117, " C " at (-14.389, 195.408, 32.599), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 118, " O " at (-13.726, 194.473, 32.995), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 119, " CA " at (-13.752, 196.767, 32.440), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 120, " N " at (-12.834, 197.056, 33.535), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 121, " CB " at (-12.985, 196.822, 31.129), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 122, " CG " at (-12.234, 198.131, 30.947), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 123, "CD1 " at (-11.630, 198.139, 29.571), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 124, "CD2 " at (-13.137, 199.347, 31.156), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 125, " H " at (-11.865, 196.710, 33.483), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 126, " C " at (-16.042, 193.268, 31.009), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 127, " O " at (-15.934, 193.863, 29.936), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 128, " CA " at (-16.390, 194.037, 32.264), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 129, " N " at (-15.675, 195.312, 32.301), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 130, " CB " at (-17.885, 194.284, 32.274), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 131, " CG " at (-18.344, 195.061, 33.482), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 132, " CD " at (-19.804, 195.460, 33.399), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 133, " CE " at (-20.079, 196.528, 34.455), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 134, " NZ " at (-21.526, 196.594, 34.819), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 135, "HZ1 " at (-21.622, 196.598, 35.844), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 136, "HZ2 " at (-21.939, 197.455, 34.432), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 137, "HZ3 " at (-22.015, 195.774, 34.432), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 138, " H " at (-16.196, 196.174, 32.085), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 139, " C " at (-16.617, 191.215, 28.842), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 140, " O " at (-16.307, 191.174, 27.659), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 141, " CA " at (-15.532, 191.144, 29.934), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 142, " N " at (-15.878, 191.952, 31.118), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 143, " CB " at (-15.193, 189.674, 30.268), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 144, " CG " at (-14.669, 188.926, 29.019), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 145, " CD " at (-13.537, 187.930, 29.272), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 146, "OE1 " at (-12.407, 188.167, 28.757), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 147, "OE2 " at (-13.783, 186.910, 29.963), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 148, " H " at (-15.993, 191.495, 32.034), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 149, " C " at (-18.818, 192.795, 27.367), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 150, " O " at (-19.439, 192.817, 26.316), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 151, " CA " at (-18.950, 191.560, 28.288), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 152, " N " at (-17.864, 191.393, 29.244), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 153, " CB " at (-20.315, 191.610, 29.002), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 154, "CG2 " at (-20.657, 190.253, 29.600), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 155, "OG1 " at (-20.284, 192.614, 30.026), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 156, "HG1 " at (-20.297, 192.179, 30.915), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 157, " H " at (-18.071, 191.414, 30.253), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 158, " C " at (-17.009, 194.962, 25.792), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 159, " O " at (-17.004, 195.871, 24.965), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 160, " CA " at (-17.934, 195.051, 26.998), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 161, " N " at (-18.014, 193.802, 27.746), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 162, " CB " at (-17.351, 196.175, 27.852), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 163, " CG " at (-18.151, 196.740, 29.015), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 164, " CD " at (-17.314, 197.812, 29.726), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 165, "OE1 " at (-16.843, 197.624, 30.874), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 166, "OE2 " at (-17.051, 198.846, 29.105), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 167, " H " at (-17.436, 193.688, 28.591), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 168, " C " at (-15.160, 192.533, 23.950), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 169, " O " at (-15.385, 191.525, 24.626), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 170, " CA " at (-15.209, 193.913, 24.589), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 171, " N " at (-16.165, 193.940, 25.694), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 172, " CB " at (-13.804, 194.461, 24.994), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 173, " CG " at (-13.173, 193.726, 26.118), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 174, "CD1 " at (-13.491, 194.044, 27.411), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 175, "CD2 " at (-12.278, 192.694, 25.875), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 176, "CE1 " at (-12.931, 193.341, 28.451), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 177, "CE2 " at (-11.703, 191.974, 26.911), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 178, " CZ " at (-12.029, 192.298, 28.202), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 179, " H " at (-16.184, 193.178, 26.387), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 180, " C " at (-11.971, 189.344, 19.424), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 181, " O " at (-13.115, 189.132, 19.048), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 182, " CA " at (-11.689, 189.573, 20.900), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 183, " N " at (-12.943, 189.941, 21.564), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 184, " CB " at (-11.078, 188.333, 21.522), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 185, " CG " at (-10.049, 188.642, 22.577), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 186, " CD " at (-9.565, 187.388, 23.291), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 187, " CE " at (-10.133, 187.233, 24.696), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 188, " NZ " at (-9.014, 187.009, 25.660), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 189, "HZ1 " at (-9.371, 187.081, 26.623), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 190, "HZ2 " at (-8.615, 186.071, 25.511), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 191, "HZ3 " at (-8.285, 187.721, 25.511), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 192, " H " at (-13.520, 190.718, 21.917), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 193, " C " at (-10.057, 188.229, 16.625), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 194, " O " at (-10.387, 187.298, 15.915), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 195, " CA " at (-11.103, 189.179, 17.156), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 196, " N " at (-10.944, 189.423, 18.593), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 197, " CB " at (-11.010, 190.455, 16.278), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 198, "CG2 " at (-11.444, 190.128, 14.844), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 199, "CG1 " at (-11.839, 191.614, 16.855), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 200, "CD1 " at (-13.327, 191.352, 17.020), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 201, " H " at (-10.013, 189.661, 18.964), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 202, " C " at (-3.396, 187.749, 17.369), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 203, " O " at (-3.437, 187.800, 16.150), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 204, " CA " at (-4.412, 186.919, 18.126), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 205, " N " at (-5.643, 186.869, 17.349), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 206, " CB " at (-3.859, 185.496, 18.360), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 207, "CG1 " at (-2.548, 185.530, 19.135), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 208, "CG2 " at (-4.895, 184.646, 19.075), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 209, " H " at (-6.300, 187.590, 17.018), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 210, " C " at (-0.012, 188.616, 17.921), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 211, " O " at (1.004, 189.036, 17.358), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 212, " CA " at (-1.405, 189.185, 17.534), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 213, " N " at (-2.508, 188.416, 18.101), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 214, " CB " at (-1.500, 190.661, 17.981), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 215, " CG " at (-2.668, 191.536, 17.500), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 216, "CD1 " at (-2.857, 192.756, 18.393), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 217, "CD2 " at (-2.427, 191.985, 16.068), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 218, " H " at (-2.604, 188.388, 19.126), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 219, " C " at (1.228, 186.322, 20.600), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 220, " O " at (0.987, 186.993, 21.591), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 221, " CA " at (1.306, 187.009, 19.242), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 222, " N " at (0.051, 187.708, 18.901), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 223, " H " at (-0.803, 187.490, 19.434), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 224, " C " at (1.615, 186.206, 26.130), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 225, " O " at (2.282, 185.680, 25.235), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 226, " CA " at (2.270, 186.564, 27.461), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 227, " N " at (2.637, 185.406, 28.263), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 228, " H " at (2.991, 185.662, 29.196), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 229, " C " at (-1.159, 187.933, 24.542), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 230, " O " at (-1.670, 188.503, 25.515), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 231, " CA " at (-0.418, 186.552, 24.719), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 232, " N " at (0.304, 186.470, 26.018), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 233, " CB " at (-1.364, 185.342, 24.496), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 234, "CG2 " at (-2.250, 185.099, 25.684), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 235, "OG1 " at (-2.186, 185.560, 23.342), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 236, "HG1 " at (-3.102, 185.803, 23.630), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 237, " H " at (-0.235, 186.625, 26.882), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 238, " C " at (-2.790, 189.600, 21.872), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 239, " O " at (-2.478, 189.012, 20.832), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 240, " CA " at (-1.781, 189.772, 22.992), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 241, " N " at (-1.170, 188.466, 23.312), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 242, " CB " at (-0.728, 190.824, 22.581), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 243, "CG1 " at (-1.373, 192.158, 22.181), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 244, "CG2 " at (0.264, 191.060, 23.713), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 245, " H " at (-0.728, 187.935, 22.548), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 246, " C " at (-5.532, 191.316, 20.621), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 247, " O " at (-5.436, 192.318, 21.324), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 248, " CA " at (-5.113, 189.947, 21.138), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 249, " N " at (-4.009, 190.077, 22.097), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 250, " CB " at (-6.345, 189.345, 21.782), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 251, " CG " at (-6.161, 187.995, 22.453), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 252, "CD1 " at (-5.625, 187.902, 23.743), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 253, "CD2 " at (-6.561, 186.815, 21.815), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 254, "CE1 " at (-5.473, 186.671, 24.369), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 255, "CE2 " at (-6.422, 185.571, 22.433), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 256, " CZ " at (-5.872, 185.503, 23.709), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 257, " OH " at (-5.719, 184.289, 24.345), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 258, " HH " at (-5.996, 183.454, 23.891), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 259, " H " at (-4.189, 190.562, 22.988), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 260, " C " at (-8.179, 192.323, 19.212), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 261, " O " at (-8.649, 191.202, 19.192), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 262, " CA " at (-6.695, 192.528, 18.911), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 263, " N " at (-6.038, 191.347, 19.405), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 264, " CB " at (-6.392, 192.703, 17.420), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 265, " CG " at (-7.542, 193.188, 16.574), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 266, " CD " at (-7.181, 193.056, 15.106), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 267, " CE " at (-8.415, 193.171, 14.227), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 268, " NZ " at (-8.726, 194.599, 13.933), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 269, "HZ1 " at (-8.838, 195.115, 14.817), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 270, "HZ2 " at (-7.956, 195.013, 13.389), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 271, "HZ3 " at (-9.599, 194.655, 13.389), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 272, " H " at (-5.962, 190.516, 18.801), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 273, " C " at (-11.073, 194.727, 19.682), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 274, " O " at (-10.559, 195.730, 19.160), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 275, " CA " at (-10.328, 193.399, 19.828), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 276, " N " at (-8.894, 193.410, 19.509), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 277, " H " at (-8.408, 194.318, 19.515), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 278, " C " at (-13.811, 196.165, 21.402), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 279, " O " at (-14.378, 195.259, 21.983), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 280, " CA " at (-13.156, 195.924, 20.054), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 281, " N " at (-12.306, 194.740, 20.138), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 282, " CB " at (-14.222, 195.711, 18.982), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 283, " CG " at (-14.793, 196.917, 18.230), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 284, "CD1 " at (-13.694, 197.615, 17.453), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 285, "CD2 " at (-15.959, 196.491, 17.318), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 286, " H " at (-12.685, 193.885, 20.569), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 287, " C " at (-15.548, 198.582, 22.969), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 288, " O " at (-15.473, 199.569, 22.241), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 289, " CA " at (-14.336, 197.678, 23.188), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 290, " N " at (-13.758, 197.386, 21.897), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 291, " CB " at (-13.302, 198.316, 24.080), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 292, " CG " at (-13.859, 198.771, 25.386), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 293, "CD1 " at (-14.762, 198.147, 26.137), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 294, "CD2 " at (-13.512, 199.967, 26.074), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 295, "NE1 " at (-15.031, 198.883, 27.273), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 296, "CE2 " at (-14.276, 200.016, 27.237), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 297, "CE3 " at (-12.661, 201.018, 25.791), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 298, "HE1 " at (-15.690, 198.620, 28.020), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 299, "CZ2 " at (-14.181, 201.059, 28.145), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 300, "CZ3 " at (-12.555, 202.035, 26.682), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 301, "CH2 " at (-13.302, 202.057, 27.845), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 302, " H " at (-13.301, 198.137, 21.359), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 303, " C " at (-18.454, 199.230, 24.701), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 304, " O " at (-19.148, 198.428, 25.274), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 305, " CA " at (-17.908, 198.913, 23.337), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 306, " N " at (-16.675, 198.206, 23.549), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 307, " CB " at (-18.895, 198.063, 22.548), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 308, "CG2 " at (-20.162, 198.858, 22.315), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 309, "CG1 " at (-18.272, 197.658, 21.201), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 310, "CD1 " at (-19.067, 196.628, 20.417), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 311, " H " at (-16.669, 197.384, 24.170), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 312, " C " at (-19.888, 200.959, 26.926), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 313, " O " at (-20.695, 201.134, 25.992), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 314, " CA " at (-18.420, 200.665, 26.646), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 315, " N " at (-18.079, 200.387, 25.250), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 316, " CB " at (-17.542, 201.868, 27.000), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 317, " CG " at (-17.135, 202.463, 25.702), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 318, " CD " at (-17.189, 201.394, 24.663), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 319, " C " at (-23.889, 204.046, 25.925), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 320, " O " at (-24.583, 205.062, 25.892), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 321, " CA " at (-24.309, 202.843, 26.743), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 322, " N " at (-23.253, 202.637, 27.737), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 323, " H " at (-22.779, 203.295, 28.372), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 324, " C " at (-18.204, 202.650, 20.390), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 325, " O " at (-18.522, 201.850, 21.272), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 326, " CA " at (-18.810, 204.044, 20.366), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 327, " N " at (-20.151, 204.012, 20.937), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 328, " CB " at (-17.860, 205.000, 21.118), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 329, "CG1 " at (-18.401, 206.416, 21.090), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 330, "CG2 " at (-17.650, 204.548, 22.550), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 331, " H " at (-20.855, 204.682, 21.278), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 332, " C " at (-15.085, 201.481, 19.210), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 333, " O " at (-14.708, 202.109, 18.256), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 334, " CA " at (-16.556, 201.145, 19.360), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 335, " N " at (-17.314, 202.386, 19.441), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 336, " CB " at (-16.972, 200.323, 18.152), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 337, " CG " at (-18.452, 200.124, 17.996), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 338, " CD " at (-18.688, 199.156, 16.840), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 339, " CE " at (-20.082, 198.571, 16.867), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 340, " NZ " at (-21.091, 199.574, 16.426), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 341, "HZ1 " at (-21.527, 200.008, 17.252), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 342, "HZ2 " at (-20.629, 200.300, 15.861), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 343, "HZ3 " at (-21.815, 199.107, 15.861), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 344, " H " at (-17.150, 203.102, 18.719), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 345, " C " at (-12.016, 200.250, 19.976), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 346, " O " at (-12.106, 199.262, 20.714), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 347, " CA " at (-12.905, 201.456, 20.238), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 348, " N " at (-14.263, 201.038, 20.149), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 349, " CB " at (-12.634, 202.016, 21.660), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 350, "CG2 " at (-11.167, 202.351, 21.846), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 351, "CG1 " at (-13.476, 203.276, 21.876), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 352, "CD1 " at (-14.202, 203.276, 23.171), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 353, " H " at (-14.620, 200.365, 20.842), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 354, " C " at (-9.148, 199.138, 19.794), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 355, " O " at (-8.477, 200.136, 20.199), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 356, " CA " at (-10.191, 199.251, 18.698), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 357, " N " at (-11.156, 200.321, 18.959), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 358, " CB " at (-9.549, 199.684, 17.353), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 359, " CG " at (-10.586, 200.551, 16.726), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 360, " CD " at (-11.077, 201.348, 17.897), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 361, " C " at (-7.115, 196.538, 21.259), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 362, " O " at (-7.343, 195.662, 20.465), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 363, " CA " at (-8.092, 197.712, 21.450), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 364, " N " at (-9.024, 197.931, 20.328), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 365, " CB " at (-8.855, 197.462, 22.757), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 366, "CG1 " at (-9.660, 198.691, 23.184), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 367, "CG2 " at (-9.732, 196.259, 22.642), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 368, " H " at (-9.579, 197.146, 19.959), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 369, " C " at (-5.428, 194.941, 23.640), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 370, " O " at (-5.665, 195.742, 24.546), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 371, " CA " at (-5.195, 195.404, 22.200), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 372, " N " at (-6.033, 196.567, 22.020), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 373, " CB " at (-3.739, 195.729, 21.952), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 374, " H " at (-5.781, 197.444, 22.498), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 375, " C " at (-4.633, 192.026, 25.499), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 376, " O " at (-4.452, 191.017, 24.826), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 377, " CA " at (-5.744, 192.991, 25.106), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 378, " N " at (-5.358, 193.645, 23.834), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 379, " CB " at (-7.032, 192.185, 24.918), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 380, "CG2 " at (-7.395, 191.420, 26.188), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 381, "CG1 " at (-8.188, 193.100, 24.538), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 382, "CD1 " at (-9.339, 192.418, 23.842), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 383, " H " at (-5.018, 193.053, 23.063), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 384, " C " at (-2.974, 190.690, 28.167), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 385, " O " at (-3.477, 191.194, 29.179), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 386, " CA " at (-2.706, 191.548, 26.927), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 387, " N " at (-3.865, 192.348, 26.537), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 388, " CB " at (-1.487, 192.448, 27.180), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 389, " CG " at (-0.297, 191.754, 27.848), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 390, " CD " at (0.952, 192.565, 27.601), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 391, " CE " at (2.024, 192.319, 28.641), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 392, " NZ " at (3.204, 193.172, 28.324), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 393, "HZ1 " at (3.643, 193.490, 29.200), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 394, "HZ2 " at (3.885, 192.626, 27.777), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 395, "HZ3 " at (2.899, 193.990, 27.777), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 396, " H " at (-4.095, 193.190, 27.084), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 397, " C " at (-1.306, 187.601, 29.193), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 398, " O " at (-1.131, 186.702, 30.020), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 399, " CA " at (-2.559, 188.497, 29.242), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 400, " N " at (-2.622, 189.401, 28.076), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 401, " CB " at (-3.829, 187.659, 29.336), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 402, " CG " at (-4.125, 186.812, 28.110), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 403, " CD " at (-5.504, 186.166, 28.162), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 404, "OE1 " at (-6.464, 186.846, 28.559), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 405, "OE2 " at (-5.642, 184.980, 27.794), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 406, " H " at (-2.384, 189.022, 27.148), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 407, " C " at (1.068, 182.689, 39.226), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 408, " O " at (0.915, 183.772, 38.647), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 409, " CA " at (1.610, 181.484, 38.428), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 410, " N " at (2.694, 180.815, 39.133), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 411, " CB " at (0.503, 180.481, 38.071), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 412, " OG " at (-0.659, 181.135, 37.592), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 413, " HG " at (-1.205, 181.442, 38.359), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 414, " H " at (3.372, 181.278, 39.755), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 415, " C " at (1.653, 184.752, 41.425), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 416, " O " at (1.386, 185.957, 41.539), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 417, " CA " at (0.506, 183.706, 41.395), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 418, " N " at (0.775, 182.518, 40.548), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 419, " CB " at (0.274, 183.102, 42.791), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 420, " CG " at (-0.228, 181.724, 42.533), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 421, " CD " at (0.443, 181.263, 41.262), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 422, " C " at (2.141, 187.538, 37.618), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 423, " O " at (2.327, 188.550, 36.933), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 424, " CA " at (3.252, 186.470, 37.697), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 425, " N " at (3.330, 185.707, 38.964), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 426, " CB " at (3.123, 185.510, 36.518), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 427, " H " at (3.392, 186.119, 39.906), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 428, " C " at (0.376, 193.481, 36.077), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 429, " O " at (0.102, 194.469, 35.420), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 430, " CA " at (1.116, 192.319, 35.385), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 431, " N " at (2.075, 191.700, 36.318), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 432, " CB " at (0.156, 191.317, 34.683), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 433, "CG2 " at (-1.165, 191.197, 35.405), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 434, "CG1 " at (-0.090, 191.761, 33.230), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 435, "CD1 " at (-0.909, 190.783, 32.404), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 436, " H " at (2.646, 192.186, 37.025), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 437, " C " at (0.554, 195.685, 38.356), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 438, " O " at (0.136, 196.833, 38.398), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 439, " CA " at (-0.443, 194.544, 38.112), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 440, " N " at (0.098, 193.376, 37.387), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 441, " CB " at (-1.141, 194.150, 39.389), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 442, " CG " at (-2.465, 193.383, 39.124), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 443, "CD1 " at (-3.152, 193.079, 40.421), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 444, "CD2 " at (-3.451, 194.113, 38.227), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 445, " H " at (0.261, 192.488, 37.882), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 446, " C " at (2.844, 197.240, 37.176), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 447, " O " at (2.954, 198.488, 37.120), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 448, " CA " at (2.838, 196.508, 38.498), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 449, " N " at (1.855, 195.408, 38.458), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 450, " CB " at (4.269, 196.015, 38.796), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 451, " CG " at (4.451, 195.528, 40.246), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 452, "OD1 " at (3.791, 196.014, 41.187), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 453, "OD2 " at (5.280, 194.627, 40.450), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 454, " H " at (2.172, 194.429, 38.509), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 455, " C " at (1.396, 197.857, 34.569), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 456, " O " at (1.452, 198.939, 34.022), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 457, " CA " at (2.669, 197.020, 34.745), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 458, " N " at (2.771, 196.464, 36.089), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 459, " CB " at (2.726, 195.871, 33.716), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 460, " CG " at (2.806, 196.318, 32.282), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 461, " CD " at (3.078, 195.148, 31.323), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 462, "OE1 " at (3.441, 194.065, 31.803), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 463, "OE2 " at (2.936, 195.299, 30.089), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 464, " H " at (2.787, 195.441, 36.205), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 465, " C " at (-0.862, 199.442, 35.724), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 466, " O " at (-1.326, 200.478, 35.230), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 467, " CA " at (-0.974, 198.142, 34.948), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 468, " N " at (0.254, 197.370, 35.050), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 469, " CB " at (-2.149, 197.367, 35.468), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 470, " H " at (0.240, 196.442, 35.497), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 471, " C " at (0.729, 201.663, 36.925), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 472, " O " at (0.305, 202.832, 36.865), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 473, " CA " at (-0.001, 200.591, 37.713), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 474, " N " at (-0.224, 199.396, 36.913), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 475, " CB " at (0.777, 200.272, 39.019), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 476, " CG " at (0.955, 201.485, 39.920), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 477, "CD1 " at (2.011, 202.386, 39.727), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 478, "CD2 " at (0.082, 201.720, 40.966), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 479, "CE1 " at (2.159, 203.505, 40.529), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 480, "CE2 " at (0.237, 202.836, 41.791), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 481, " CZ " at (1.288, 203.736, 41.539), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 482, " OH " at (1.433, 204.848, 42.348), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 483, " HH " at (0.792, 205.011, 43.085), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 484, " H " at (0.115, 198.489, 37.264), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 485, " C " at (1.805, 202.819, 34.382), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 486, " O " at (1.731, 204.047, 34.121), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 487, " CA " at (2.623, 202.276, 35.556), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 488, " N " at (1.869, 201.308, 36.354), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 489, " CB " at (3.926, 201.643, 35.042), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 490, "CG1 " at (4.625, 202.560, 34.063), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 491, "CG2 " at (4.815, 201.287, 36.224), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 492, " H " at (2.226, 200.349, 36.471), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 493, " C " at (-0.730, 203.123, 32.729), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 494, " O " at (-1.133, 203.955, 31.924), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 495, " CA " at (0.500, 202.288, 32.408), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 496, " N " at (1.222, 201.906, 33.641), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 497, " CB " at (0.030, 201.065, 31.659), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 498, " CG " at (0.987, 200.522, 30.649), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 499, " SD " at (0.229, 199.218, 29.649), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 500, " CE " at (-0.007, 199.974, 28.047), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 501, " H " at (1.268, 200.916, 33.920), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 502, " C " at (-1.973, 205.218, 34.771), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 503, " O " at (-2.800, 206.114, 34.935), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 504, " CA " at (-2.428, 203.831, 34.325), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 505, " N " at (-1.312, 202.963, 33.924), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 506, " CB " at (-3.264, 203.189, 35.424), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 507, " H " at (-0.977, 202.229, 34.564), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 508, " C " at (0.477, 207.527, 34.528), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 509, " O " at (1.020, 208.573, 34.863), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 510, " CA " at (-0.179, 206.623, 35.580), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 511, " N " at (-0.685, 205.395, 35.004), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 512, " CB " at (0.893, 206.276, 36.635), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 513, " OG " at (0.352, 205.491, 37.678), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 514, " HG " at (0.617, 205.875, 38.551), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 515, " H " at (-0.024, 204.640, 34.770), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 516, " C " at (0.124, 208.379, 31.268), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 517, " O " at (-0.861, 207.718, 31.006), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 518, " CA " at (1.170, 207.846, 32.224), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 519, " N " at (0.509, 207.083, 33.284), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 520, " CB " at (2.207, 207.006, 31.445), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 521, "CG1 " at (3.361, 206.596, 32.342), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 522, "CG2 " at (1.588, 205.794, 30.816), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 523, " H " at (0.061, 206.184, 33.056), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 524, " C " at (0.279, 211.164, 28.968), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 525, " O " at (0.500, 212.306, 29.337), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 526, " CA " at (-0.532, 210.213, 29.834), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 527, " N " at (0.351, 209.588, 30.769), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 528, " CB " at (-1.622, 210.965, 30.567), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 529, " CG " at (-2.614, 211.595, 29.634), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 530, "OD1 " at (-2.789, 211.132, 28.489), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 531, "OD2 " at (-3.259, 212.540, 30.066), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 532, " H " at (1.196, 210.096, 31.067), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 533, " C " at (1.256, 210.918, 25.482), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 534, " O " at (1.099, 209.681, 25.335), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 535, " CA " at (1.491, 211.495, 26.869), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 536, " N " at (0.691, 210.681, 27.813), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 537, " CB " at (2.977, 211.417, 27.259), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 538, " CG " at (3.880, 212.235, 26.368), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 539, "OD1 " at (4.433, 211.726, 25.415), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 540, "ND2 " at (4.022, 213.500, 26.671), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 541, "HD22" at (4.627, 214.103, 26.095), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 542, "HD21" at (3.529, 213.893, 27.485), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 543, " H " at (0.450, 209.712, 27.560), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 544, " C " at (2.027, 210.237, 22.562), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 545, " O " at (1.756, 209.583, 21.570), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 546, " CA " at (1.012, 211.285, 23.067), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 547, " N " at (1.267, 211.783, 24.443), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 548, " CB " at (1.124, 212.551, 22.219), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 549, " CG " at (0.675, 213.643, 23.163), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 550, " CD " at (1.247, 213.252, 24.515), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 551, " C " at (4.481, 208.025, 23.793), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 552, " O " at (5.521, 207.383, 23.747), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 553, " CA " at (4.204, 209.150, 22.793), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 554, " N " at (3.171, 210.079, 23.230), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 555, " CB " at (5.470, 209.902, 22.400), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 556, " CG " at (5.245, 210.856, 21.273), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 557, "ND1 " at (4.890, 210.431, 20.014), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 558, "CD2 " at (5.198, 212.210, 21.236), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 559, "CE1 " at (4.723, 211.489, 19.231), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 560, "NE2 " at (4.891, 212.566, 19.948), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 561, "HE2 " at (4.806, 213.532, 19.601), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 562, " H " at (3.329, 210.633, 24.084), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 563, " C " at (2.198, 205.946, 25.489), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 564, " O " at (1.177, 206.646, 25.403), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 565, " CA " at (3.552, 206.631, 25.565), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 566, " N " at (3.516, 207.766, 24.665), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 567, " CB " at (3.834, 207.152, 27.006), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 568, "CG1 " at (3.610, 206.041, 27.977), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 569, "CG2 " at (5.265, 207.675, 27.093), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 570, " H " at (2.705, 208.400, 24.704), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 571, " C " at (0.257, 203.883, 26.948), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 572, " O " at (0.915, 203.498, 27.901), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 573, " CA " at (0.882, 203.885, 25.538), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 574, " N " at (2.159, 204.606, 25.520), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 575, " CB " at (1.099, 202.445, 25.133), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 576, " SG " at (1.592, 202.379, 23.384), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 577, " HG " at (2.947, 202.198, 23.298), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 578, " H " at (3.041, 204.074, 25.531), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 579, " C " at (-2.692, 203.147, 28.481), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 580, " O " at (-3.196, 202.668, 27.490), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 581, " CA " at (-1.612, 204.187, 28.391), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 582, " N " at (-1.001, 204.232, 27.082), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 583, " CB " at (-2.191, 205.531, 28.781), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 584, " CG " at (-3.461, 205.951, 28.022), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 585, " CD " at (-4.231, 207.026, 28.794), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 586, " NE " at (-3.668, 207.185, 30.133), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 587, " HE " at (-2.751, 206.754, 30.317), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 588, " CZ " at (-4.245, 207.839, 31.126), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 589, "NH1 " at (-5.397, 208.470, 30.938), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 590, "NH2 " at (-3.622, 207.900, 32.301), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 591, "HH12" at (-5.840, 208.977, 31.718), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 592, "HH11" at (-5.849, 208.453, 30.012), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 593, "HH22" at (-4.055, 208.405, 33.088), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 594, "HH21" at (-2.707, 207.442, 32.423), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 595, " H " at (-1.547, 204.535, 26.263), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 596, " C " at (-5.391, 202.329, 29.771), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 597, " O " at (-5.670, 203.402, 30.294), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 598, " CA " at (-3.994, 201.766, 29.959), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 599, " N " at (-3.052, 202.826, 29.707), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 600, " CB " at (-3.830, 201.294, 31.411), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 601, " CG " at (-4.548, 200.002, 31.735), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 602, "CD1 " at (-3.846, 198.849, 31.042), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 603, "CD2 " at (-4.611, 199.769, 33.227), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 604, " H " at (-2.651, 203.344, 30.502), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 605, " C " at (-8.349, 201.381, 30.324), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 606, " O " at (-9.218, 202.022, 30.954), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 607, " CA " at (-7.661, 201.977, 29.053), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 608, " N " at (-6.263, 201.634, 29.040), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 609, " CB " at (-8.350, 201.482, 27.798), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 610, " CG " at (-7.913, 202.138, 26.483), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 611, "CD1 " at (-8.587, 201.473, 25.306), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 612, "CD2 " at (-8.238, 203.632, 26.534), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 613, " H " at (-5.934, 200.847, 28.463), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 614, " C " at (-8.005, 198.116, 32.048), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 615, " O " at (-7.225, 197.634, 31.219), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 616, " CA " at (-8.468, 199.553, 31.908), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 617, " N " at (-7.980, 200.154, 30.675), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 618, " H " at (-7.341, 199.621, 30.068), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 619, " C " at (-9.351, 195.246, 33.363), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 620, " O " at (-10.374, 195.788, 33.751), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 621, " CA " at (-8.080, 196.032, 33.243), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 622, " N " at (-8.446, 197.439, 33.093), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 623, " CB " at (-7.183, 195.736, 34.474), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 624, "CG2 " at (-5.835, 196.398, 34.324), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 625, "CG1 " at (-7.865, 196.178, 35.756), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 626, "CD1 " at (-7.171, 195.650, 37.008), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 627, " H " at (-9.042, 197.899, 33.796), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 628, " C " at (-9.944, 191.935, 34.086), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 629, " O " at (-8.865, 191.378, 33.867), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 630, " CA " at (-10.400, 193.068, 33.173), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 631, " N " at (-9.286, 193.967, 33.011), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 632, " CB " at (-10.832, 192.489, 31.826), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 633, " SG " at (-12.254, 191.414, 31.988), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 634, " HG " at (-12.524, 191.210, 33.316), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 635, " H " at (-8.409, 193.606, 32.609), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 636, " C " at (-11.080, 189.357, 35.745), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 637, " O " at (-12.190, 189.101, 36.153), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 638, " CA " at (-10.399, 190.659, 36.107), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 639, " N " at (-10.737, 191.650, 35.091), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 640, " CB " at (-10.884, 191.109, 37.476), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 641, " CG " at (-10.336, 192.450, 37.943), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 642, "CD1 " at (-10.939, 192.741, 39.305), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 643, "CD2 " at (-8.825, 192.460, 37.988), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 644, " H " at (-11.636, 192.147, 35.166), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 645, " C " at (-9.984, 186.202, 35.316), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 646, " O " at (-9.186, 186.603, 36.176), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 647, " CA " at (-10.853, 187.212, 34.583), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 648, " N " at (-10.381, 188.549, 34.968), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 649, " CB " at (-10.726, 187.015, 33.051), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 650, "CG2 " at (-11.950, 187.565, 32.364), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 651, "OG1 " at (-9.572, 187.719, 32.565), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 652, "HG1 " at (-9.037, 188.045, 33.332), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 653, " H " at (-9.467, 188.870, 34.618), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 654, " C " at (-5.472, 190.040, 33.131), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 655, " O " at (-4.405, 189.670, 32.634), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 656, " CA " at (-5.849, 189.615, 34.569), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 657, " N " at (-5.687, 188.182, 34.753), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 658, " CB " at (-4.984, 190.388, 35.571), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 659, "CG1 " at (-4.957, 191.881, 35.242), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 660, "CG2 " at (-5.471, 190.124, 36.998), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 661, " H " at (-5.423, 188.173, 35.749), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 662, " C " at (-5.885, 192.875, 31.246), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 663, " O " at (-6.628, 193.564, 31.964), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 664, " CA " at (-6.120, 191.380, 31.156), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 665, " N " at (-6.343, 190.840, 32.500), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 666, " CB " at (-7.355, 191.146, 30.292), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 667, " CG " at (-7.602, 189.700, 29.911), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 668, " CD " at (-8.988, 189.461, 29.354), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 669, "OE1 " at (-9.988, 189.717, 30.009), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 670, "NE2 " at (-9.053, 188.910, 28.158), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 671, "HE22" at (-9.969, 188.723, 27.726), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 672, "HE21" at (-8.188, 188.667, 27.655), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 673, " H " at (-7.216, 191.089, 32.986), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 674, " C " at (-5.186, 195.158, 28.948), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 675, " O " at (-4.937, 194.443, 27.981), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 676, " CA " at (-4.621, 194.773, 30.330), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 677, " N " at (-4.835, 193.353, 30.568), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 678, " CB " at (-3.148, 195.101, 30.385), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 679, " CG " at (-2.253, 194.626, 31.513), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 680, "CD1 " at (-0.878, 195.275, 31.431), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 681, "CD2 " at (-2.890, 194.910, 32.848), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 682, " H " at (-4.145, 192.684, 30.197), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 683, " C " at (-6.097, 198.061, 27.315), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 684, " O " at (-5.941, 198.904, 28.200), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 685, " CA " at (-6.658, 196.686, 27.652), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 686, " N " at (-5.949, 196.261, 28.871), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 687, " CB " at (-8.192, 196.718, 27.831), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 688, "CG2 " at (-8.882, 197.388, 26.646), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 689, "CG1 " at (-8.794, 195.292, 27.885), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 690, "CD1 " at (-8.769, 194.680, 29.249), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 691, " H " at (-6.044, 196.844, 29.715), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 692, " C " at (-5.400, 199.747, 24.205), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 693, " O " at (-5.951, 198.894, 23.550), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 694, " CA " at (-4.991, 199.478, 25.651), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 695, " N " at (-5.662, 198.243, 26.068), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 696, " CB " at (-3.467, 199.362, 25.780), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 697, "CG2 " at (-2.869, 198.371, 24.757), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 698, "OG1 " at (-2.865, 200.669, 25.653), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 699, "HG1 " at (-2.693, 201.042, 26.554), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 700, " H " at (-5.802, 197.493, 25.376), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 701, " C " at (-4.766, 200.433, 21.394), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 702, " O " at (-3.582, 200.192, 21.573), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 703, " CA " at (-5.476, 201.351, 22.369), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 704, " N " at (-5.144, 200.947, 23.732), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 705, " CB " at (-4.931, 202.778, 22.170), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 706, " CG " at (-4.919, 203.311, 20.732), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 707, " CD " at (-4.234, 204.681, 20.642), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 708, "OE1 " at (-3.258, 204.953, 21.349), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 709, "NE2 " at (-4.757, 205.547, 19.791), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 710, "HE22" at (-4.340, 206.483, 19.687), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 711, "HE21" at (-5.582, 205.286, 19.232), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 712, " H " at (-4.689, 201.633, 24.351), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 713, " C " at (-3.857, 200.123, 18.468), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 714, " O " at (-4.231, 201.209, 18.059), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 715, " CA " at (-4.793, 199.229, 19.286), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 716, " N " at (-5.431, 200.018, 20.339), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 717, " CB " at (-5.846, 198.566, 18.401), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 718, " CG " at (-5.337, 197.689, 17.261), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 719, "CD1 " at (-4.592, 196.445, 17.770), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 720, "CD2 " at (-6.524, 197.315, 16.419), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 721, " H " at (-6.429, 200.255, 20.251), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 722, " C " at (-1.556, 199.538, 16.206), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 723, " O " at (-0.799, 198.580, 16.119), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 724, " CA " at (-1.649, 200.333, 17.498), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 725, " N " at (-2.626, 199.671, 18.305), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 726, " CB " at (-0.341, 200.358, 18.255), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 727, " CG " at (-0.482, 201.113, 19.568), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 728, " SD " at (-0.700, 202.896, 19.383), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 729, " CE " at (0.985, 203.334, 19.238), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 730, " H " at (-2.357, 198.799, 18.783), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 731, " C " at (-1.394, 198.481, 13.313), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 732, " O " at (-1.470, 197.400, 12.754), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 733, " CA " at (-2.590, 198.970, 14.105), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 734, " N " at (-2.347, 199.923, 15.194), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 735, " CB " at (-3.557, 199.714, 13.178), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 736, " CG " at (-4.083, 200.858, 13.967), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 737, " CD " at (-3.088, 201.187, 15.010), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 738, " C " at (1.838, 198.066, 13.234), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 739, " O " at (2.845, 197.622, 12.721), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 740, " CA " at (0.851, 198.896, 12.428), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 741, " N " at (-0.339, 199.267, 13.225), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 742, " CB " at (1.540, 200.146, 11.829), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 743, " CG " at (0.710, 200.851, 10.790), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 744, "CD1 " at (-0.272, 201.763, 11.175), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 745, "CD2 " at (0.839, 200.531, 9.437), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 746, "CE1 " at (-1.091, 202.370, 10.233), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 747, "CE2 " at (0.053, 201.145, 8.476), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 748, " CZ " at (-0.933, 202.061, 8.876), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 749, " H " at (-0.343, 200.167, 13.726), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 750, " C " at (3.696, 197.567, 15.765), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 751, " O " at (3.796, 198.782, 15.942), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 752, " CA " at (2.399, 196.949, 15.309), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 753, " N " at (1.579, 197.872, 14.518), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 754, " H " at (0.797, 198.372, 14.964), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 755, " C " at (6.832, 197.794, 15.535), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 756, " O " at (6.813, 197.370, 14.369), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 757, " N " at (4.702, 196.732, 15.997), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 758, " H " at (4.610, 195.736, 15.752), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 759, " C " at (9.530, 198.709, 14.450), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 760, " O " at (9.854, 198.866, 13.258), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 761, " CA " at (8.413, 199.552, 15.034), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 762, " N " at (7.593, 198.789, 15.943), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 763, " CB " at (8.943, 200.798, 15.726), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 764, " CG " at (9.726, 201.797, 14.871), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 765, "CD1 " at (8.968, 202.257, 13.631), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 766, "CD2 " at (10.114, 202.967, 15.764), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 767, " H " at (7.603, 199.030, 16.944), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 768, " C " at (10.609, 196.090, 13.462), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 769, " O " at (11.248, 196.110, 12.428), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 770, " CA " at (11.080, 196.860, 14.707), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 771, " N " at (10.050, 197.751, 15.224), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 772, " CB " at (11.566, 195.882, 15.787), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 773, " CG " at (12.672, 194.922, 15.303), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 774, "CD1 " at (13.907, 195.680, 14.824), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 775, "CD2 " at (13.021, 193.977, 16.434), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 776, " H " at (9.720, 197.642, 16.194), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 777, " C " at (8.504, 195.652, 11.313), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 778, " O " at (8.617, 195.283, 10.120), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 779, " CA " at (8.879, 194.715, 12.433), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 780, " N " at (9.480, 195.406, 13.572), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 781, " CB " at (7.609, 193.945, 12.855), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 782, " CG " at (7.923, 192.648, 13.629), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 783, "OD1 " at (9.114, 192.317, 13.817), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 784, "OD2 " at (6.975, 191.940, 14.028), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 785, " H " at (9.011, 195.360, 14.488), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 786, " C " at (8.801, 198.204, 9.818), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 787, " O " at (8.718, 198.210, 8.583), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 788, " CA " at (7.585, 197.793, 10.657), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 789, " N " at (7.983, 196.814, 11.673), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 790, " CB " at (6.924, 199.030, 11.304), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 791, " CG " at (6.382, 199.992, 10.307), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 792, "CD1 " at (5.124, 199.800, 9.743), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 793, "CD2 " at (7.143, 201.044, 9.880), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 794, "CE1 " at (4.643, 200.654, 8.764), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 795, "CE2 " at (6.699, 201.902, 8.906), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 796, " CZ " at (5.441, 201.709, 8.372), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 797, " OH " at (5.007, 202.579, 7.451), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 798, " HH " at (5.583, 203.334, 7.173), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 799, " H " at (7.857, 197.032, 12.672), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 800, " C " at (11.701, 197.780, 8.830), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 801, " O " at (12.172, 198.038, 7.715), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 802, " CA " at (11.136, 198.921, 9.667), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 803, " N " at (9.931, 198.508, 10.456), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 804, " CB " at (12.279, 199.617, 10.444), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 805, "CG1 " at (11.771, 200.878, 11.135), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 806, "CG2 " at (12.988, 198.712, 11.430), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 807, " H " at (9.976, 198.459, 11.484), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 808, " C " at (11.103, 195.172, 7.309), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 809, " O " at (11.603, 194.960, 6.208), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 810, " CA " at (12.016, 195.390, 8.521), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 811, " N " at (11.583, 196.533, 9.312), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 812, " CB " at (12.109, 194.114, 9.371), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 813, " CG " at (13.173, 194.164, 10.448), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 814, " CD " at (13.066, 192.981, 11.424), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 815, " NE " at (14.220, 192.936, 12.323), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 816, " HE " at (14.952, 193.646, 12.181), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 817, " CZ " at (14.410, 192.056, 13.313), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 818, "NH1 " at (13.520, 191.117, 13.564), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 819, "NH2 " at (15.510, 192.119, 14.051), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 820, "HH12" at (13.680, 190.447, 14.330), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 821, "HH11" at (12.664, 191.053, 12.995), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 822, "HH22" at (15.658, 191.443, 14.813), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 823, "HH21" at (16.216, 192.844, 13.862), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 824, " H " at (11.183, 196.383, 10.249), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 825, " C " at (10.496, 199.115, 4.546), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 826, " O " at (10.584, 200.285, 4.218), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 827, " CA " at (9.145, 198.506, 4.820), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 828, " N " at (9.202, 197.378, 5.766), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 829, " CB " at (8.217, 199.573, 5.367), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 830, " CG " at (6.822, 199.085, 5.522), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 831, "ND1 " at (6.367, 198.525, 6.691), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 832, "CD2 " at (5.821, 198.943, 4.622), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 833, "CE1 " at (5.120, 198.126, 6.532), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 834, "NE2 " at (4.757, 198.392, 5.294), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 835, "HE2 " at (3.825, 198.215, 4.894), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 836, " H " at (9.325, 197.713, 6.732), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 837, " C " at (13.268, 199.481, 3.387), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 838, " O " at (14.044, 200.404, 3.424), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 839, " CA " at (12.953, 198.663, 4.622), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 840, " N " at (11.528, 198.304, 4.711), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 841, " CB " at (13.684, 197.331, 4.450), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 842, " CG " at (15.079, 197.219, 4.993), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 843, " CD " at (15.350, 195.793, 5.501), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 844, " CE " at (14.884, 194.703, 4.550), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 845, " NZ " at (15.866, 194.487, 3.459), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 846, "HZ1 " at (16.791, 194.284, 3.865), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 847, "HZ2 " at (15.564, 193.692, 2.877), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 848, "HZ3 " at (15.925, 195.335, 2.877), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 849, " H " at (11.312, 197.320, 4.924), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 850, " C " at (12.154, 200.976, 0.758), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 851, " O " at (12.411, 201.658, -0.205), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 852, " CA " at (12.899, 199.670, 0.977), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 853, " N " at (12.676, 199.066, 2.277), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 854, " CB " at (12.490, 198.676, -0.122), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 855, " CG " at (13.373, 197.433, -0.146), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 856, "OD1 " at (14.565, 197.518, 0.244), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 857, "OD2 " at (12.875, 196.364, -0.565), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 858, " H " at (12.023, 198.272, 2.340), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 859, " C " at (10.563, 203.522, 2.616), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 860, " O " at (9.787, 204.464, 2.664), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 861, " CA " at (10.443, 202.519, 1.500), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 862, " N " at (11.235, 201.315, 1.640), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 863, " CB " at (8.972, 202.156, 1.409), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 864, " CG " at (8.465, 202.327, 0.023), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 865, "OD1 " at (7.905, 203.371, -0.312), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 866, "ND2 " at (8.753, 201.351, -0.832), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 867, "HD22" at (8.430, 201.410, -1.808), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 868, "HD21" at (9.299, 200.536, -0.518), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 869, " H " at (11.075, 200.704, 2.454), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 870, " C " at (12.638, 205.226, 4.302), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 871, " O " at (13.766, 204.870, 3.998), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 872, " CA " at (11.572, 204.201, 4.659), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 873, " N " at (11.469, 203.303, 3.548), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 874, " CB " at (11.866, 203.456, 5.973), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 875, "CG2 " at (12.282, 204.431, 7.062), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 876, "CG1 " at (10.588, 202.699, 6.400), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 877, "CD1 " at (10.794, 201.726, 7.531), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 878, " H " at (12.099, 202.491, 3.478), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 879, " C " at (13.572, 208.335, 5.383), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 880, " O " at (13.214, 208.010, 6.517), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 881, " CA " at (13.063, 207.633, 4.138), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 882, " N " at (12.227, 206.486, 4.381), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 883, " H " at (11.243, 206.655, 4.633), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 884, " C " at (14.199, 210.774, 7.142), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 885, " O " at (14.436, 210.836, 8.355), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 886, " CA " at (15.131, 209.984, 6.224), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 887, " N " at (14.410, 209.331, 5.147), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 888, " CB " at (16.257, 210.889, 5.668), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 889, " OG " at (15.785, 211.773, 4.644), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 890, " HG " at (15.362, 212.565, 5.061), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 891, " H " at (14.554, 209.650, 4.178), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 892, " C " at (11.470, 211.220, 8.394), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 893, " O " at (11.405, 211.598, 9.559), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 894, " CA " at (12.159, 212.082, 7.340), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 895, " N " at (13.127, 211.316, 6.575), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 896, " CB " at (11.113, 212.734, 6.419), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 897, " CG " at (10.174, 213.688, 7.139), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 898, " CD " at (10.942, 214.816, 7.857), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 899, "OE1 " at (11.060, 214.699, 9.179), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 900, "NE2 " at (11.409, 215.775, 7.234), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 901, "HE22" at (11.918, 216.516, 7.736), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 902, "HE21" at (11.289, 215.833, 6.213), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 903, " H " at (12.978, 211.189, 5.564), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 904, " C " at (11.413, 208.695, 10.062), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 905, " O " at (11.056, 208.742, 11.247), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 906, " CA " at (10.457, 209.104, 8.954), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 907, " N " at (11.055, 210.030, 7.995), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 908, " CB " at (9.902, 207.878, 8.232), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 909, " CG " at (8.600, 208.136, 7.545), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 910, "CD1 " at (7.431, 208.156, 8.259), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 911, "CD2 " at (8.535, 208.329, 6.177), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 912, "CE1 " at (6.219, 208.365, 7.647), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 913, "CE2 " at (7.326, 208.547, 5.549), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 914, " CZ " at (6.166, 208.564, 6.302), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 915, " OH " at (4.944, 208.772, 5.726), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 916, " HH " at (4.876, 208.920, 4.749), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 917, " H " at (11.153, 209.755, 7.007), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 918, " C " at (13.886, 208.890, 11.711), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 919, " O " at (13.890, 208.657, 12.937), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 920, " CA " at (13.601, 207.812, 10.693), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 921, " N " at (12.629, 208.286, 9.704), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 922, " CB " at (14.897, 207.350, 10.028), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 923, " CG " at (14.780, 206.042, 9.268), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 924, "CD1 " at (15.912, 205.869, 8.269), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 925, "CD2 " at (14.729, 204.848, 10.224), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 926, " H " at (12.892, 208.303, 8.708), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 927, " C " at (13.274, 211.584, 13.072), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 928, " O " at (13.444, 211.839, 14.280), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 929, " CA " at (14.455, 211.170, 12.210), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 930, " N " at (14.122, 210.108, 11.249), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 931, " CB " at (15.076, 212.386, 11.500), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 932, " CG " at (16.405, 212.050, 10.840), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 933, "CD1 " at (16.742, 213.070, 9.746), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 934, "CD2 " at (17.560, 211.883, 11.821), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 935, " H " at (14.073, 210.307, 10.240), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 936, " C " at (10.657, 210.818, 14.296), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 937, " O " at (10.265, 211.105, 15.377), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 938, " CA " at (10.888, 211.920, 13.271), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 939, " N " at (12.083, 211.635, 12.486), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 940, " CB " at (9.647, 212.054, 12.400), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 941, " CG " at (9.572, 213.402, 11.669), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 942, "OD1 " at (10.112, 214.451, 12.277), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 943, "ND2 " at (9.006, 213.492, 10.580), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 944, "HD22" at (8.961, 214.400, 10.097), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 945, "HD21" at (8.578, 212.659, 10.152), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 946, " H " at (12.003, 211.472, 11.472), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 947, " C " at (11.661, 208.731, 16.172), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 948, " O " at (11.276, 208.534, 17.328), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 949, " CA " at (10.716, 208.521, 15.013), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 950, " N " at (10.905, 209.555, 13.970), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 951, " CB " at (10.883, 207.103, 14.457), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 952, " CG " at (9.854, 206.715, 13.491), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 953, "CD1 " at (8.583, 207.157, 13.452), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 954, "CD2 " at (9.990, 205.782, 12.409), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 955, "NE1 " at (7.917, 206.598, 12.382), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 956, "CE2 " at (8.756, 205.732, 11.745), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 957, "CE3 " at (11.053, 205.042, 11.897), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 958, "HE1 " at (6.945, 206.801, 12.109), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 959, "CZ2 " at (8.545, 204.937, 10.607), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 960, "CZ3 " at (10.853, 204.272, 10.762), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 961, "CH2 " at (9.608, 204.220, 10.126), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 962, " H " at (11.219, 209.303, 13.022), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 963, " C " at (13.398, 210.527, 17.843), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 964, " O " at (13.579, 210.513, 19.083), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 965, " CA " at (13.860, 209.369, 16.961), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 966, " N " at (12.919, 209.096, 15.887), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 967, " CB " at (15.277, 209.686, 16.434), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 968, " SG " at (16.043, 208.391, 15.471), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 969, " HG " at (16.593, 207.461, 16.313), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 970, " H " at (13.219, 209.183, 14.906), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 971, " C " at (11.175, 212.169, 18.940), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 972, " O " at (11.136, 212.490, 20.146), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 973, " CA " at (12.300, 212.650, 18.010), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 974, " N " at (12.877, 211.571, 17.229), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 975, " CB " at (11.759, 213.793, 17.110), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 976, "CG1 " at (11.026, 214.859, 17.931), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 977, "CG2 " at (12.882, 214.426, 16.291), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 978, " H " at (12.879, 211.621, 16.200), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 979, " C " at (9.410, 210.062, 20.263), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 980, " O " at (8.868, 210.145, 21.345), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 981, " CA " at (9.055, 211.026, 19.140), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 982, " N " at (10.248, 211.414, 18.381), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 983, " CB " at (8.036, 210.372, 18.212), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 984, " CG " at (7.433, 211.376, 17.239), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 985, " CD " at (6.438, 210.738, 16.312), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 986, "OE1 " at (5.912, 209.655, 16.554), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 987, "NE2 " at (6.165, 211.420, 15.236), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 988, "HE22" at (5.492, 211.051, 14.549), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 989, "HE21" at (6.622, 212.328, 15.072), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 990, " H " at (10.363, 211.096, 17.408), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 991, " C " at (11.443, 209.035, 22.209), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 992, " O " at (11.241, 208.723, 23.439), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 993, " CA " at (10.771, 208.256, 21.067), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 994, " N " at (10.328, 209.136, 20.005), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 995, " CB " at (11.704, 207.170, 20.500), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 996, "CG2 " at (12.304, 206.351, 21.613), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 997, "CG1 " at (10.936, 206.220, 19.591), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 998, "CD1 " at (11.855, 205.409, 18.654), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 999, " H " at (10.721, 209.045, 19.057), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1000, " C " at (11.880, 211.716, 23.624), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1001, " O " at (12.035, 211.892, 24.846), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1002, " CA " at (12.910, 210.879, 22.840), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1003, " N " at (12.252, 210.029, 21.847), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1004, " CB " at (13.995, 211.764, 22.204), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1005, " H " at (12.418, 210.203, 20.846), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1006, " C " at (9.056, 211.968, 24.682), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1007, " O " at (8.844, 212.375, 25.832), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1008, " CA " at (9.730, 212.850, 23.645), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1009, " N " at (10.828, 212.199, 22.957), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1010, " CB " at (8.678, 213.380, 22.675), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1011, " CG " at (9.129, 214.661, 21.985), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1012, " CD " at (8.074, 215.118, 21.011), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1013, " CE " at (8.544, 216.420, 20.405), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1014, " NZ " at (7.582, 217.015, 19.478), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1015, "HZ1 " at (6.833, 217.478, 20.011), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1016, "HZ2 " at (8.060, 217.708, 18.885), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1017, "HZ3 " at (7.176, 216.278, 18.885), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1018, " H " at (10.796, 212.107, 21.932), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1019, " C " at (9.003, 209.549, 26.391), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1020, " O " at (8.531, 209.453, 27.505), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1021, " CA " at (8.106, 209.851, 25.226), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1022, " N " at (8.715, 210.756, 24.293), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1023, " H " at (8.885, 210.459, 23.322), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1024, " C " at (11.464, 210.170, 28.092), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1025, " O " at (11.559, 209.975, 29.313), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1026, " CA " at (11.240, 209.011, 27.166), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1027, " N " at (10.295, 209.342, 26.131), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1028, " CB " at (12.572, 208.515, 26.569), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1029, " CG " at (12.490, 207.131, 25.944), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1030, " SD " at (11.857, 205.845, 27.042), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 1031, " CE " at (13.069, 205.952, 28.330), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1032, " H " at (10.627, 209.421, 25.159), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1033, " C " at (10.406, 212.699, 29.332), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1034, " O " at (10.547, 213.099, 30.497), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1035, " CA " at (11.597, 212.573, 28.397), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1036, " N " at (11.533, 211.405, 27.554), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1037, " CB " at (11.735, 213.852, 27.550), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1038, " CG " at (11.832, 215.087, 28.391), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1039, "OD1 " at (12.866, 215.362, 28.969), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1040, "ND2 " at (10.794, 215.881, 28.402), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1041, "HD22" at (10.811, 216.743, 28.965), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1042, "HD21" at (9.959, 215.644, 27.848), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1043, " H " at (11.540, 211.515, 26.530), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1044, " C " at (8.150, 211.397, 30.782), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1045, " O " at (7.879, 211.716, 31.962), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1046, " CA " at (8.029, 212.399, 29.643), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1047, " N " at (9.218, 212.393, 28.830), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1048, " CB " at (6.773, 212.131, 28.797), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1049, " CG " at (5.561, 211.866, 29.655), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1050, "CD1 " at (4.856, 212.927, 30.212), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1051, "CD2 " at (5.167, 210.562, 29.960), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1052, "CE1 " at (3.767, 212.719, 31.030), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1053, "CE2 " at (4.075, 210.322, 30.786), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1054, " CZ " at (3.379, 211.405, 31.311), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1055, " OH " at (2.297, 211.177, 32.088), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1056, " HH " at (2.019, 210.248, 32.289), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1057, " H " at (9.143, 212.145, 27.833), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1058, " C " at (9.760, 209.679, 32.534), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1059, " O " at (9.514, 209.552, 33.742), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1060, " CA " at (8.766, 209.180, 31.496), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1061, " N " at (8.581, 210.199, 30.449), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1062, " CB " at (9.230, 207.850, 30.916), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1063, " CG " at (8.248, 207.126, 30.009), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1064, "CD1 " at (8.858, 205.808, 29.553), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1065, "CD2 " at (6.935, 206.875, 30.765), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1066, " H " at (8.787, 209.976, 29.465), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1067, " C " at (11.180, 211.951, 33.927), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1068, " O " at (11.435, 211.997, 35.145), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1069, " CA " at (11.820, 210.885, 33.025), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1070, " N " at (10.848, 210.298, 32.087), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1071, " CB " at (13.060, 211.431, 32.276), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1072, " CG " at (14.069, 212.125, 33.181), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1073, " CD " at (15.412, 212.432, 32.528), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1074, "OE1 " at (16.307, 212.873, 33.280), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1075, "OE2 " at (15.580, 212.255, 31.305), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1076, " H " at (11.013, 210.368, 31.073), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1077, " C " at (8.791, 213.096, 35.234), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1078, " O " at (8.548, 213.654, 36.304), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1079, " CA " at (9.654, 213.802, 34.176), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1080, " N " at (10.349, 212.822, 33.362), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1081, " CB " at (8.692, 214.703, 33.359), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1082, " CG " at (9.405, 215.802, 32.557), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1083, "OD1 " at (10.528, 216.195, 32.882), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1084, "OD2 " at (8.791, 216.281, 31.582), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1085, " H " at (10.198, 212.801, 32.343), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1086, " C " at (8.269, 210.287, 36.843), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1087, " O " at (7.709, 209.494, 37.625), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1088, " CA " at (7.440, 211.171, 35.878), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1089, " N " at (8.259, 211.927, 34.913), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1090, " CB " at (6.432, 210.325, 35.132), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1091, " CG " at (5.512, 211.188, 34.262), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1092, " CD " at (4.575, 212.028, 35.114), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1093, " NE " at (3.677, 211.023, 35.684), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1094, " HE " at (3.181, 210.420, 35.012), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1095, " CZ " at (3.431, 210.802, 36.965), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1096, "NH1 " at (3.919, 211.602, 37.924), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1097, "NH2 " at (2.619, 209.796, 37.272), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1098, "HH12" at (3.711, 211.406, 38.914), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1099, "HH11" at (4.502, 212.413, 37.671), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1100, "HH22" at (2.402, 209.591, 38.258), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1101, "HH21" at (2.206, 209.221, 36.524), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1102, " H " at (8.420, 211.539, 33.973), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1103, " C " at (10.496, 208.125, 37.260), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1104, " O " at (10.855, 207.327, 38.115), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1105, " CA " at (10.558, 209.633, 37.528), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1106, " N " at (9.586, 210.413, 36.742), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1107, " CB " at (10.392, 209.894, 39.001), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1108, " CG " at (10.408, 211.351, 39.367), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1109, " CD " at (10.380, 211.446, 40.871), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1110, " NE " at (10.133, 212.812, 41.288), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1111, " HE " at (10.737, 213.539, 40.879), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1112, " CZ " at (9.198, 213.219, 42.151), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1113, "NH1 " at (8.357, 212.358, 42.759), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1114, "NH2 " at (9.135, 214.528, 42.448), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1115, "HH12" at (7.648, 212.709, 43.419), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1116, "HH11" at (8.423, 211.349, 42.564), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1117, "HH22" at (8.425, 214.872, 43.110), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1118, "HH21" at (9.797, 215.187, 42.014), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1119, " H " at (9.953, 211.102, 36.070), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1120, " C " at (11.285, 205.972, 34.843), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1121, " O " at (11.598, 206.684, 33.881), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1122, " CA " at (10.064, 206.332, 35.671), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1123, " N " at (10.128, 207.742, 36.047), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1124, " CB " at (8.822, 206.078, 34.834), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1125, " CG " at (7.508, 206.099, 35.589), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1126, "CD1 " at (6.330, 206.237, 34.641), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1127, "CD2 " at (7.317, 204.862, 36.464), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1128, " H " at (9.880, 208.458, 35.349), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1129, " C " at (12.345, 203.121, 33.686), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1130, " O " at (11.790, 202.201, 34.319), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1131, " CA " at (12.998, 204.279, 34.405), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1132, " N " at (11.976, 204.893, 35.223), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1133, " CB " at (14.209, 203.823, 35.231), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1134, "CG1 " at (15.297, 203.265, 34.339), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1135, "CG2 " at (14.776, 204.996, 36.012), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1136, " H " at (11.771, 204.479, 36.143), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1137, " C " at (12.315, 200.785, 31.682), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1138, " O " at (11.614, 199.753, 31.903), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1139, " CA " at (11.695, 202.163, 31.565), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1140, " N " at (12.427, 203.125, 32.358), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1141, " CB " at (11.644, 202.615, 30.110), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1142, " CG " at (10.804, 201.734, 29.250), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1143, "ND1 " at (11.188, 200.467, 28.897), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 1144, "CD2 " at (9.599, 201.935, 28.665), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1145, "CE1 " at (10.255, 199.918, 28.149), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1146, "NE2 " at (9.277, 200.788, 27.996), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1147, "HE2 " at (8.412, 200.629, 27.460), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1148, " H " at (13.021, 203.824, 31.888), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1149, " C " at (14.357, 198.518, 30.570), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1150, " O " at (15.021, 197.484, 30.622), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1151, " CA " at (14.489, 199.546, 31.676), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1152, " N " at (13.654, 200.761, 31.554), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1153, " CB " at (14.273, 198.832, 33.017), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1154, " CG " at (14.655, 199.707, 34.189), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1155, " CD " at (14.499, 199.042, 35.529), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1156, " NE " at (15.331, 197.886, 35.704), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1157, " HE " at (16.341, 198.010, 35.545), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1158, " CZ " at (14.917, 196.657, 36.056), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1159, "NH1 " at (13.642, 196.352, 36.287), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1160, "NH2 " at (15.831, 195.718, 36.205), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1161, "HH12" at (13.382, 195.392, 36.554), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1162, "HH11" at (12.915, 197.076, 36.199), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1163, "HH22" at (15.550, 194.764, 36.474), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1164, "HH21" at (16.825, 195.938, 36.052), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1165, " H " at (14.132, 201.652, 31.357), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1166, " C " at (13.153, 198.552, 27.114), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1167, " O " at (12.410, 198.069, 26.250), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1168, " CA " at (13.429, 197.824, 28.432), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1169, " N " at (13.537, 198.775, 29.557), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1170, " CB " at (12.375, 196.738, 28.713), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1171, " CG " at (12.537, 195.484, 27.810), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1172, "OD1 " at (13.495, 195.372, 27.003), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1173, "OD2 " at (11.687, 194.603, 27.919), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1174, " H " at (12.976, 199.639, 29.556), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1175, " C " at (14.322, 199.660, 24.567), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1176, " O " at (15.500, 199.267, 24.719), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1177, " CA " at (13.575, 200.411, 25.701), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1178, " N " at (13.755, 199.721, 26.945), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1179, " CB " at (14.023, 201.844, 25.853), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1180, " CG " at (13.893, 202.710, 24.593), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1181, "CD1 " at (12.427, 202.783, 24.194), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1182, "CD2 " at (14.490, 204.100, 24.828), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1183, " H " at (14.339, 200.125, 27.691), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1184, " C " at (13.088, 199.038, 21.175), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1185, " O " at (11.926, 199.440, 21.452), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1186, " CA " at (14.108, 198.802, 22.274), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1187, " N " at (13.623, 199.489, 23.448), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1188, " CB " at (14.259, 197.304, 22.536), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1189, " H " at (12.668, 199.874, 23.417), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1190, " C " at (11.290, 198.133, 18.901), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1191, " O " at (10.194, 198.510, 18.466), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1192, " CA " at (12.506, 199.044, 18.814), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1193, " N " at (13.471, 198.793, 19.930), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1194, " CB " at (13.197, 198.905, 17.457), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1195, " H " at (14.417, 198.436, 19.734), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1196, " C " at (9.284, 196.540, 20.656), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1197, " O " at (8.167, 196.025, 20.688), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1198, " CA " at (10.321, 196.007, 19.661), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1199, " N " at (11.462, 196.924, 19.472), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1200, " CB " at (10.773, 194.581, 20.091), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1201, " CG " at (11.407, 194.591, 21.477), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1202, " CD " at (11.943, 193.262, 21.985), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1203, " NE " at (12.650, 193.561, 23.236), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1204, " HE " at (12.106, 193.515, 24.110), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1205, " CZ " at (13.948, 193.889, 23.333), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1206, "NH1 " at (14.420, 194.205, 24.524), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1207, "NH2 " at (14.790, 193.909, 22.278), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1208, "HH12" at (15.411, 194.462, 24.634), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1209, "HH11" at (13.797, 194.195, 25.344), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1210, "HH22" at (15.778, 194.169, 22.412), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1211, "HH21" at (14.445, 193.664, 21.339), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1212, " H " at (12.402, 196.636, 19.780), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1213, " C " at (8.407, 199.494, 22.149), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1214, " O " at (8.013, 200.247, 23.029), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1215, " CA " at (8.834, 198.098, 22.495), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1216, " N " at (9.683, 197.504, 21.485), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1217, " CB " at (9.495, 198.051, 23.902), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1218, " CG " at (9.569, 196.655, 24.446), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1219, "OD1 " at (8.769, 195.795, 24.061), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1220, "ND2 " at (10.553, 196.392, 25.312), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1221, "HD22" at (10.647, 195.448, 25.714), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1222, "HD21" at (11.217, 197.133, 25.577), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1223, " H " at (10.651, 197.846, 21.402), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1224, " C " at (6.770, 200.585, 19.374), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1225, " O " at (6.986, 199.665, 18.588), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1226, " CA " at (7.866, 201.047, 20.343), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1227, " N " at (8.477, 199.840, 20.862), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1228, " CB " at (8.906, 201.914, 19.640), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1229, "CG1 " at (8.222, 203.168, 19.104), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1230, "CG2 " at (10.028, 202.248, 20.604), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1231, " H " at (8.986, 199.224, 20.212), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1232, " C " at (4.096, 201.831, 17.641), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1233, " O " at (4.269, 202.996, 17.927), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1234, " CA " at (4.466, 200.720, 18.639), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1235, " N " at (5.567, 201.166, 19.466), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1236, " CB " at (3.236, 200.391, 19.486), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1237, " CG " at (3.401, 199.211, 20.444), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1238, "CD1 " at (2.104, 198.860, 21.142), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1239, "CD2 " at (3.922, 197.986, 19.738), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1240, " H " at (5.424, 201.938, 20.132), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1241, " C " at (1.677, 202.525, 15.287), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1242, " O " at (0.966, 201.643, 14.913), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1243, " CA " at (3.195, 202.322, 15.417), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1244, " N " at (3.559, 201.432, 16.507), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1245, " CB " at (3.746, 201.759, 14.094), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1246, "CG1 " at (3.513, 202.737, 12.945), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1247, "CG2 " at (5.232, 201.483, 14.263), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1248, " H " at (3.386, 200.424, 16.384), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1249, " C " at (-0.489, 204.386, 14.038), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1250, " O " at (-1.422, 203.903, 13.432), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1251, " CA " at (-0.226, 204.057, 15.508), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1252, " N " at (1.204, 203.715, 15.629), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1253, " CB " at (-0.563, 205.277, 16.388), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1254, " CG " at (-2.056, 205.596, 16.326), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1255, " CD " at (-2.407, 206.917, 17.017), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1256, " CE " at (-3.762, 207.378, 16.526), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1257, " NZ " at (-4.241, 208.678, 17.069), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1258, "HZ1 " at (-4.229, 208.645, 18.098), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1259, "HZ2 " at (-3.624, 209.435, 16.742), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1260, "HZ3 " at (-5.202, 208.853, 16.742), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1261, " H " at (1.857, 204.425, 15.991), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1262, " C " at (1.954, 205.625, 11.774), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1263, " O " at (2.739, 205.815, 12.714), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1264, " CA " at (0.464, 205.467, 12.039), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1265, " N " at (0.370, 205.230, 13.476), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1266, " CB " at (-0.214, 206.781, 11.623), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1267, "CG2 " at (-1.606, 206.867, 12.157), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1268, "OG1 " at (0.565, 207.870, 12.121), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1269, "HG1 " at (0.556, 207.857, 13.111), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1270, " H " at (1.010, 205.750, 14.094), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1271, " C " at (4.342, 207.085, 10.747), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1272, " O " at (5.536, 207.194, 10.968), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1273, " CA " at (3.798, 205.780, 10.218), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1274, " N " at (2.376, 205.579, 10.498), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1275, " CB " at (3.856, 205.736, 8.667), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1276, " CG " at (2.699, 204.894, 8.309), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1277, " CD " at (1.619, 205.308, 9.283), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1278, " C " at (3.791, 209.470, 13.034), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1279, " O " at (4.046, 210.520, 13.572), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1280, " CA " at (3.946, 209.355, 11.510), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1281, " N " at (3.482, 208.066, 11.012), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1282, " CB " at (3.127, 210.507, 10.886), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1283, " CG " at (3.225, 210.657, 9.357), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1284, " CD " at (2.354, 209.644, 8.620), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1285, "OE1 " at (2.874, 209.151, 7.504), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1286, "NE2 " at (1.223, 209.294, 9.052), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1287, "HE22" at (0.662, 208.607, 8.528), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1288, "HE21" at (0.860, 209.695, 9.929), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1289, " H " at (2.475, 207.912, 10.863), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1290, " C " at (3.297, 207.256, 15.856), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1291, " O " at (2.529, 206.292, 15.703), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1292, " CA " at (3.012, 208.589, 15.167), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1293, " N " at (3.313, 208.443, 13.714), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1294, " CB " at (1.558, 208.995, 15.387), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1295, " CG " at (1.227, 209.332, 16.812), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1296, "ND1 " at (0.014, 209.856, 17.195), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 1297, "CD2 " at (1.955, 209.226, 17.948), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1298, "CE1 " at (0.001, 210.050, 18.504), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1299, "NE2 " at (1.175, 209.685, 18.978), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1300, "HE2 " at (1.461, 209.736, 19.966), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1301, " H " at (3.149, 207.543, 13.241), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1302, " C " at (4.684, 206.315, 18.924), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1303, " O " at (4.711, 207.470, 19.365), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1304, " CA " at (4.786, 206.055, 17.418), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1305, " N " at (4.374, 207.236, 16.637), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1306, " CB " at (6.191, 205.589, 17.042), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1307, "CG1 " at (6.201, 205.256, 15.538), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1308, "CG2 " at (7.309, 206.567, 17.404), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1309, " H " at (4.949, 208.088, 16.699), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1310, " C " at (5.267, 204.226, 21.847), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1311, " O " at (5.291, 203.100, 21.398), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1312, " CA " at (4.483, 205.351, 21.148), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1313, " N " at (4.596, 205.245, 19.697), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1314, " CB " at (3.019, 205.258, 21.614), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1315, " CG " at (2.050, 206.285, 21.035), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1316, " CD " at (0.655, 206.131, 21.685), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1317, " CE " at (-0.330, 207.003, 20.939), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1318, " NZ " at (-1.634, 207.229, 21.631), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1319, "HZ1 " at (-1.490, 207.204, 22.651), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1320, "HZ2 " at (-2.012, 208.148, 21.360), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1321, "HZ3 " at (-2.299, 206.491, 21.360), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1322, " H " at (4.608, 204.311, 19.263), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1323, " C " at (5.571, 202.739, 24.640), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1324, " O " at (4.620, 203.268, 25.196), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1325, " CA " at (6.553, 203.585, 23.807), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1326, " N " at (5.805, 204.542, 23.012), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1327, " CB " at (7.493, 204.331, 24.734), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1328, "CG2 " at (8.172, 203.391, 25.735), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1329, "CG1 " at (8.541, 205.075, 23.892), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1330, "CD1 " at (9.141, 206.196, 24.663), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1331, " H " at (5.689, 205.501, 23.369), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1332, " C " at (5.920, 199.570, 26.327), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1333, " O " at (7.157, 199.757, 26.409), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1334, " CA " at (5.030, 200.530, 25.522), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1335, " N " at (5.847, 201.435, 24.732), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1336, " CB " at (4.062, 199.762, 24.588), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1337, "CG2 " at (4.800, 198.693, 23.789), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1338, "OG1 " at (2.994, 199.191, 25.349), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1339, "HG1 " at (3.186, 199.293, 26.315), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1340, " H " at (6.663, 201.060, 24.228), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1341, " C " at (6.680, 197.916, 28.845), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1342, " O " at (7.938, 197.992, 28.840), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1343, " CA " at (5.877, 197.452, 27.668), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1344, " N " at (5.260, 198.546, 26.881), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1345, " CB " at (6.701, 196.453, 26.871), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1346, " CG " at (6.920, 195.127, 27.650), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1347, "OD1 " at (6.596, 195.033, 28.883), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1348, "OD2 " at (7.401, 194.168, 27.002), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1349, " H " at (4.239, 198.516, 26.750), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1350, " C " at (6.597, 197.627, 32.126), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1351, " O " at (6.663, 197.937, 33.289), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1352, " CA " at (6.391, 198.695, 31.104), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1353, " N " at (5.912, 198.171, 29.884), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1354, " CB " at (5.371, 199.707, 31.615), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1355, " CG " at (5.331, 200.928, 30.775), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1356, "CD1 " at (6.353, 201.876, 30.867), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1357, "CD2 " at (4.319, 201.104, 29.849), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1358, "CE1 " at (6.330, 202.990, 30.051), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1359, "CE2 " at (4.285, 202.220, 29.052), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1360, " CZ " at (5.300, 203.151, 29.141), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1361, " H " at (4.904, 197.977, 29.802), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1362, " C " at (8.173, 195.332, 33.505), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1363, " O " at (8.173, 194.718, 34.585), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1364, " CA " at (6.954, 195.264, 32.606), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1365, " N " at (6.732, 196.381, 31.691), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1366, " H " at (6.679, 196.196, 30.679), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1367, " C " at (10.533, 197.578, 34.492), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1368, " O " at (11.506, 197.834, 35.194), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1369, " CA " at (10.421, 196.178, 33.845), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1370, " N " at (9.208, 196.041, 33.068), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1371, " CB " at (11.640, 195.897, 32.961), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1372, " CG " at (11.797, 194.437, 32.424), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1373, "CD1 " at (13.132, 194.274, 31.753), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1374, "CD2 " at (11.659, 193.413, 33.521), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1375, " H " at (9.145, 196.506, 32.151), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1376, " C " at (9.683, 200.095, 36.149), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1377, " O " at (8.982, 199.366, 36.841), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1378, " CA " at (9.758, 199.874, 34.637), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1379, " N " at (9.560, 198.465, 34.272), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1380, " CB " at (8.750, 200.746, 33.963), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1381, " H " at (8.672, 198.162, 33.847), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1382, " C " at (10.386, 202.813, 38.321), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1383, " O " at (10.950, 203.641, 37.569), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1384, " CA " at (10.532, 201.333, 38.087), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1385, " N " at (10.428, 201.087, 36.649), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1386, " CB " at (11.870, 200.888, 38.631), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1387, " CG " at (12.148, 199.385, 38.541), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1388, " CD " at (11.202, 198.557, 39.383), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1389, " CE " at (11.387, 197.085, 39.041), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1390, " NZ " at (10.468, 196.320, 39.880), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1391, "HZ1 " at (10.681, 196.497, 40.872), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1392, "HZ2 " at (9.500, 196.608, 39.680), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1393, "HZ3 " at (10.576, 195.315, 39.680), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1394, " H " at (10.945, 201.697, 36.000), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1395, " C " at (10.561, 204.925, 40.807), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1396, " O " at (10.794, 204.267, 41.827), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1397, " CA " at (9.476, 204.516, 39.850), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1398, " N " at (9.674, 203.131, 39.392), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1399, " CB " at (8.101, 204.653, 40.514), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1400, " CG " at (7.773, 206.047, 41.073), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1401, "CD1 " at (7.635, 207.095, 39.972), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1402, "CD2 " at (6.512, 205.996, 41.938), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1403, " H " at (9.237, 202.370, 39.932), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1404, " C " at (11.694, 207.455, 42.433), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1405, " O " at (10.771, 208.218, 42.149), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1406, " CA " at (12.287, 206.515, 41.379), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1407, " N " at (11.256, 206.001, 40.495), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1408, " CB " at (13.359, 207.230, 40.576), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1409, " CG " at (14.258, 206.385, 39.673), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1410, "CD1 " at (15.284, 207.279, 38.980), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1411, "CD2 " at (14.945, 205.258, 40.405), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1412, " H " at (11.064, 206.486, 39.607), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1413, " C " at (12.281, 209.706, 44.265), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1414, " O " at (13.094, 209.897, 43.349), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1415, " CA " at (11.870, 208.305, 44.694), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1416, " N " at (12.176, 207.339, 43.651), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1417, " H " at (12.788, 206.541, 43.873), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1418, " C " at (13.306, 212.464, 44.558), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1419, " O " at (13.756, 213.160, 43.681), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1420, " CA " at (11.831, 212.074, 44.526), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1421, " N " at (11.677, 210.688, 44.916), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1422, " CB " at (11.023, 212.981, 45.439), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1423, " H " at (11.080, 210.459, 45.724), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1424, " C " at (16.319, 211.024, 45.400), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1425, " O " at (17.134, 210.736, 46.279), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1426, " CA " at (15.497, 212.312, 45.464), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1427, " N " at (14.071, 212.003, 45.525), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1428, " CB " at (15.895, 213.286, 46.604), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1429, " CG " at (15.895, 214.742, 46.089), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1430, " CD " at (15.604, 215.808, 47.138), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1431, "OE1 " at (15.625, 217.012, 46.799), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1432, "OE2 " at (15.339, 215.453, 48.287), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1433, " H " at (13.678, 211.445, 46.296), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1434, " C " at (17.229, 209.049, 42.703), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1435, " O " at (16.476, 209.404, 41.790), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1436, " CA " at (16.739, 208.974, 44.113), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1437, " N " at (16.057, 210.246, 44.351), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1438, " CB " at (15.794, 207.790, 44.247), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1439, " CG " at (15.997, 206.891, 45.433), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1440, " CD " at (14.887, 205.846, 45.546), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1441, "OE1 " at (14.219, 205.537, 44.535), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1442, "OE2 " at (14.657, 205.331, 46.661), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1443, " H " at (15.342, 210.554, 43.677), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1444, " C " at (18.180, 203.926, 41.320), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1445, " O " at (17.719, 204.001, 42.460), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1446, " CA " at (19.217, 204.932, 40.859), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1447, " N " at (18.988, 206.281, 41.382), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1448, " CB " at (20.569, 204.428, 41.381), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1449, " CG " at (21.724, 205.271, 40.911), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1450, " CD " at (23.055, 204.850, 41.502), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1451, "OE1 " at (23.098, 204.054, 42.460), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1452, "OE2 " at (24.056, 205.365, 40.990), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1453, " H " at (18.953, 207.269, 41.670), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1454, " C " at (18.267, 200.610, 40.873), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1455, " O " at (18.978, 200.432, 39.889), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1456, " CA " at (17.207, 201.732, 40.867), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1457, " N " at (17.874, 202.960, 40.460), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1458, " CB " at (16.025, 201.371, 39.948), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1459, " CG " at (15.459, 199.988, 40.235), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1460, "CD1 " at (14.662, 199.750, 41.362), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1461, "CD2 " at (15.768, 198.901, 39.427), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1462, "CE1 " at (14.195, 198.461, 41.672), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1463, "CE2 " at (15.279, 197.615, 39.712), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1464, " CZ " at (14.507, 197.400, 40.831), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1465, " OH " at (14.044, 196.130, 41.091), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1466, " HH " at (14.275, 195.385, 40.482), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1467, " H " at (18.118, 203.085, 39.467), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1468, " C " at (18.579, 197.418, 41.934), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1469, " O " at (17.823, 197.083, 42.812), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1470, " CA " at (19.326, 198.745, 42.043), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1471, " N " at (18.390, 199.880, 41.975), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1472, " CB " at (20.139, 198.731, 43.340), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1473, " CG " at (21.233, 197.707, 43.311), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1474, "ND1 " at (21.139, 196.491, 43.959), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 1475, "CD2 " at (22.403, 197.677, 42.625), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1476, "CE1 " at (22.227, 195.781, 43.727), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1477, "NE2 " at (23.008, 196.476, 42.918), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1478, "HE2 " at (23.924, 196.168, 42.563), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1479, " H " at (17.819, 200.112, 42.800), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1480, " C " at (18.451, 194.285, 41.438), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1481, " O " at (19.595, 194.305, 41.902), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1482, " CA " at (17.933, 195.498, 40.627), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1483, " N " at (18.792, 196.658, 40.867), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1484, " CB " at (17.888, 195.197, 39.133), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1485, " H " at (19.556, 196.883, 40.213), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1486, " C " at (17.103, 189.191, 38.911), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1487, " O " at (16.163, 189.903, 39.284), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1488, " CA " at (18.345, 188.991, 39.770), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1489, " N " at (18.296, 189.820, 40.972), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1490, " H " at (18.329, 190.675, 41.545), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1491, " C " at (16.610, 188.993, 35.429), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1492, " O " at (17.624, 189.708, 35.302), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1493, " CA " at (16.011, 188.766, 36.794), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1494, " N " at (17.089, 188.557, 37.751), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1495, " H " at (17.852, 187.905, 37.520), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1496, " C " at (17.742, 191.644, 29.955), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1497, " O " at (18.764, 190.984, 29.849), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1498, " CA " at (17.043, 191.719, 31.307), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1499, " N " at (17.131, 190.389, 31.862), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1500, " CB " at (17.673, 192.750, 32.273), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1501, "CG1 " at (16.716, 193.071, 33.424), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1502, "CG2 " at (18.984, 192.215, 32.821), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1503, " H " at (17.400, 190.499, 32.850), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1504, " C " at (19.172, 192.779, 27.476), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1505, " O " at (19.288, 193.969, 27.316), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1506, " CA " at (17.777, 192.127, 27.569), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1507, " N " at (17.165, 192.258, 28.904), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1508, " CB " at (16.773, 192.818, 26.643), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1509, " CG " at (15.483, 192.633, 27.320), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1510, " CD " at (15.785, 192.751, 28.814), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1511, " C " at (22.109, 193.357, 26.630), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1512, " O " at (22.851, 194.305, 26.905), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1513, " CA " at (21.588, 192.416, 27.731), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1514, " N " at (20.206, 191.960, 27.569), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1515, " CB " at (22.517, 191.194, 27.808), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1516, "CG2 " at (23.981, 191.595, 27.790), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1517, "CG1 " at (22.230, 190.368, 29.080), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1518, "CD1 " at (22.777, 190.959, 30.370), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1519, " H " at (20.030, 190.946, 27.525), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1520, " C " at (21.726, 195.293, 24.166), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1521, " O " at (22.212, 196.073, 23.325), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1522, " CA " at (22.245, 193.860, 24.255), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1523, " N " at (21.722, 193.090, 25.393), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1524, " CB " at (22.004, 193.086, 22.957), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1525, " CG " at (22.849, 191.851, 22.933), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1526, " CD " at (22.645, 191.013, 21.707), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1527, " CE " at (23.616, 189.872, 21.720), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1528, " NZ " at (23.436, 189.066, 20.491), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1529, "HZ1 " at (23.219, 188.092, 20.748), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1530, "HZ2 " at (22.661, 189.456, 19.935), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1531, "HZ3 " at (24.303, 189.089, 19.935), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1532, " H " at (21.045, 192.332, 25.225), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1533, " C " at (20.598, 197.742, 26.373), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1534, " O " at (20.258, 198.921, 26.541), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1535, " CA " at (20.217, 197.001, 25.084), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1536, " N " at (20.733, 195.642, 24.996), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1537, " CB " at (18.677, 197.001, 24.959), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1538, " CG " at (18.201, 196.828, 23.564), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1539, "CD1 " at (17.764, 197.805, 22.736), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1540, "CD2 " at (18.138, 195.598, 22.808), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1541, "NE1 " at (17.446, 197.274, 21.507), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1542, "CE2 " at (17.661, 195.927, 21.523), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1543, "CE3 " at (18.468, 194.271, 23.084), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1544, "HE1 " at (17.099, 197.811, 20.699), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1545, "CZ2 " at (17.492, 194.971, 20.525), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1546, "CZ3 " at (18.275, 193.324, 22.123), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1547, "CH2 " at (17.784, 193.681, 20.847), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1548, " H " at (20.317, 194.917, 25.598), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1549, " C " at (22.869, 198.378, 28.675), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1550, " O " at (23.887, 198.042, 28.026), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1551, " CA " at (21.575, 197.573, 28.607), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1552, " N " at (21.312, 197.076, 27.267), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1553, " CB " at (21.710, 196.392, 29.584), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1554, " CG " at (20.387, 195.742, 30.027), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1555, " SD " at (20.696, 194.131, 30.787), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 1556, " CE " at (21.623, 194.540, 32.271), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1557, " H " at (21.700, 196.160, 27.000), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1558, " C " at (25.066, 199.283, 30.482), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1559, " O " at (24.713, 198.373, 31.229), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1560, " CA " at (24.061, 200.147, 29.781), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1561, " N " at (22.844, 199.415, 29.505), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1562, " CB " at (23.760, 201.362, 30.595), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1563, " H " at (21.960, 199.697, 29.951), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1564, " C " at (27.271, 198.703, 32.382), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1565, " O " at (27.418, 197.620, 32.974), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1566, " CA " at (27.384, 198.762, 30.862), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1567, " N " at (26.346, 199.562, 30.259), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1568, " CB " at (28.768, 199.277, 30.469), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1569, " CG " at (29.937, 198.443, 30.956), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1570, "CD1 " at (29.819, 196.968, 30.561), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1571, "CD2 " at (31.223, 199.017, 30.417), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1572, " H " at (26.599, 200.355, 29.652), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1573, " C " at (25.618, 199.002, 34.973), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1574, " O " at (25.592, 198.546, 36.120), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1575, " CA " at (26.807, 199.847, 34.487), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1576, " N " at (26.966, 199.834, 33.027), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1577, " CB " at (26.705, 201.276, 35.083), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1578, " CG " at (25.419, 202.082, 34.804), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1579, " CD " at (25.417, 202.765, 33.428), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1580, "OE1 " at (24.462, 203.515, 33.120), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1581, "OE2 " at (26.381, 202.556, 32.637), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1582, " H " at (26.841, 200.706, 32.494), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1583, " C " at (23.884, 196.526, 34.393), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1584, " O " at (23.475, 195.756, 35.242), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1585, " CA " at (23.499, 197.982, 34.469), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1586, " N " at (24.648, 198.795, 34.099), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1587, " CB " at (22.322, 198.244, 33.531), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1588, " OG " at (21.956, 199.601, 33.553), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1589, " HG " at (21.874, 199.905, 34.491), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1590, " H " at (24.705, 199.209, 33.157), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1591, " C " at (26.116, 194.482, 34.452), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1592, " O " at (25.934, 193.470, 35.090), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1593, " CA " at (25.224, 194.806, 33.280), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1594, " N " at (24.711, 196.166, 33.407), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1595, " CB " at (26.025, 194.577, 31.987), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1596, "CG2 " at (26.578, 193.157, 31.926), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1597, "CG1 " at (25.132, 194.803, 30.770), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1598, "CD1 " at (25.892, 194.829, 29.464), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1599, " H " at (24.996, 196.872, 32.713), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1600, " C " at (27.573, 195.209, 37.210), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1601, " O " at (28.006, 194.515, 38.127), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1602, " CA " at (28.080, 195.025, 35.783), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1603, " N " at (27.077, 195.338, 34.750), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1604, " CB " at (29.299, 195.926, 35.600), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1605, " CG " at (30.053, 195.822, 34.287), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1606, "CD1 " at (31.104, 196.924, 34.234), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1607, "CD2 " at (30.699, 194.453, 34.160), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1608, " H " at (27.126, 196.238, 34.252), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1609, " C " at (24.798, 196.540, 39.081), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1610, " O " at (24.390, 196.789, 40.215), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1611, " CA " at (26.291, 196.533, 38.791), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1612, " N " at (26.669, 196.163, 37.426), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1613, " CB " at (26.894, 197.898, 39.144), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1614, " CG " at (28.388, 197.929, 39.064), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1615, "ND1 " at (29.073, 198.740, 38.181), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 1616, "CD2 " at (29.326, 197.211, 39.714), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1617, "CE1 " at (30.373, 198.543, 38.317), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1618, "NE2 " at (30.550, 197.616, 39.237), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1619, "HE2 " at (31.462, 197.252, 39.549), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1620, " H " at (26.233, 196.644, 36.627), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1621, " C " at (21.994, 197.539, 38.601), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1622, " O " at (20.966, 197.627, 39.229), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1623, " CA " at (22.552, 196.183, 38.229), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1624, " N " at (23.986, 196.258, 38.069), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1625, " CB " at (22.177, 195.077, 39.245), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1626, " CG " at (22.810, 193.748, 38.862), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1627, " CD " at (22.117, 192.520, 39.456), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1628, " NE " at (21.946, 192.639, 40.894), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1629, " HE " at (21.265, 193.338, 41.222), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1630, " CZ " at (22.582, 191.934, 41.834), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1631, "NH1 " at (23.480, 191.001, 41.518), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1632, "NH2 " at (22.298, 192.164, 43.123), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1633, "HH12" at (23.956, 190.472, 42.262), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1634, "HH11" at (23.698, 190.809, 40.530), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1635, "HH22" at (22.779, 191.629, 43.860), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1636, "HH21" at (21.598, 192.876, 43.377), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1637, " H " at (24.392, 196.087, 37.138), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1638, " C " at (21.487, 200.510, 37.138), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1639, " O " at (21.985, 200.428, 36.003), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1640, " CA " at (22.213, 199.973, 38.373), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1641, " N " at (22.655, 198.596, 38.145), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1642, " CB " at (23.428, 200.860, 38.718), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1643, "CG2 " at (23.069, 202.327, 38.698), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1644, "CG1 " at (23.962, 200.503, 40.117), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1645, "CD1 " at (25.407, 200.912, 40.317), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1646, " H " at (23.519, 198.440, 37.606), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1647, " C " at (19.111, 203.086, 36.691), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1648, " O " at (18.759, 203.391, 37.857), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1649, " CA " at (19.495, 201.657, 36.319), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1650, " N " at (20.289, 201.049, 37.368), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1651, " CB " at (18.236, 200.835, 36.108), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1652, " CG " at (18.513, 199.408, 35.676), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1653, "CD1 " at (18.841, 198.447, 36.599), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1654, "CD2 " at (18.427, 199.037, 34.339), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1655, "CE1 " at (19.100, 197.135, 36.221), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1656, "CE2 " at (18.665, 197.734, 33.949), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1657, " CZ " at (19.002, 196.797, 34.876), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1658, " OH " at (19.229, 195.516, 34.456), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1659, " HH " at (19.156, 195.290, 33.495), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1660, " H " at (19.914, 201.033, 38.327), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1661, " C " at (18.241, 205.825, 34.530), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1662, " O " at (18.151, 205.100, 33.519), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1663, " CA " at (18.861, 205.339, 35.829), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1664, " N " at (19.141, 203.940, 35.679), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1665, " CB " at (20.165, 206.164, 36.021), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1666, "CG2 " at (20.976, 205.738, 37.225), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1667, "OG1 " at (20.949, 206.031, 34.841), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1668, "HG1 " at (21.894, 205.871, 35.089), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1669, " H " at (19.376, 203.583, 34.742), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1670, " C " at (18.509, 207.631, 32.229), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1671, " O " at (18.250, 207.441, 31.032), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1672, " CA " at (17.418, 207.698, 33.251), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1673, " N " at (17.856, 207.091, 34.516), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1674, " CB " at (16.945, 209.140, 33.495), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1675, " CG " at (15.798, 209.220, 34.446), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1676, "ND1 " at (14.599, 208.568, 34.217), was assigned atom type "NA" (rec_index= 2, atom_type= 2). | |
| Atom no. 1677, "CD2 " at (15.690, 209.786, 35.673), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1678, "CE1 " at (13.799, 208.762, 35.250), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1679, "NE2 " at (14.425, 209.509, 36.127), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1680, "HE2 " at (14.028, 209.837, 37.019), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1681, " H " at (17.863, 207.646, 35.384), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1682, " C " at (21.223, 206.306, 31.246), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1683, " O " at (21.767, 206.157, 30.147), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1684, " CA " at (20.910, 207.720, 31.771), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1685, " N " at (19.756, 207.765, 32.683), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1686, " CB " at (22.114, 208.410, 32.432), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1687, " CG " at (21.843, 209.906, 32.717), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1688, " CD " at (21.341, 210.636, 31.458), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1689, "OE1 " at (20.146, 210.952, 31.319), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1690, "NE2 " at (22.228, 210.839, 30.510), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1691, "HE22" at (21.954, 211.322, 29.643), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1692, "HE21" at (23.198, 210.515, 30.634), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1693, " H " at (19.914, 207.903, 33.691), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1694, " C " at (19.837, 203.729, 30.319), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1695, " O " at (20.058, 203.037, 29.332), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1696, " CA " at (20.908, 203.916, 31.391), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1697, " N " at (20.872, 205.255, 31.988), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1698, " CB " at (20.924, 202.811, 32.458), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1699, " OG " at (19.749, 202.759, 33.204), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1700, " HG " at (19.970, 202.769, 34.169), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1701, " H " at (20.579, 205.382, 32.967), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1702, " C " at (18.200, 205.056, 28.192), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1703, " O " at (17.853, 204.651, 27.096), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1704, " CA " at (17.664, 204.355, 29.460), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1705, " N " at (18.674, 204.350, 30.495), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1706, " CB " at (16.359, 205.054, 29.914), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1707, " CG " at (15.370, 204.121, 30.671), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1708, "OD1 " at (15.592, 202.868, 30.778), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1709, "OD2 " at (14.361, 204.697, 31.153), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1710, " H " at (18.489, 204.836, 31.384), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1711, " C " at (20.541, 205.824, 26.410), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1712, " O " at (20.561, 205.843, 25.178), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1713, " CA " at (19.610, 206.785, 27.196), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1714, " N " at (19.019, 206.110, 28.351), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1715, " CB " at (20.367, 208.072, 27.634), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1716, "CG1 " at (21.239, 208.598, 26.508), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1717, "CG2 " at (19.396, 209.142, 28.057), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1718, " H " at (19.233, 206.447, 29.300), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1719, " C " at (21.147, 203.055, 25.540), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1720, " O " at (21.386, 202.871, 24.358), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1721, " CA " at (22.062, 203.908, 26.397), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1722, " N " at (21.294, 204.985, 27.102), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1723, " CB " at (22.818, 203.044, 27.375), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1724, " CG " at (23.684, 202.006, 26.757), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1725, "CD1 " at (23.294, 200.982, 25.931), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1726, "CD2 " at (25.104, 201.866, 26.906), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1727, "NE1 " at (24.363, 200.259, 25.537), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1728, "CE2 " at (25.489, 200.753, 26.139), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1729, "CE3 " at (26.079, 202.563, 27.627), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1730, "HE1 " at (24.336, 199.461, 24.886), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1731, "CZ2 " at (26.830, 200.328, 26.050), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1732, "CZ3 " at (27.395, 202.138, 27.564), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1733, "CH2 " at (27.766, 201.040, 26.780), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1734, " H " at (21.353, 205.072, 28.127), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1735, " C " at (18.505, 202.534, 24.163), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1736, " O " at (18.260, 201.955, 23.102), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1737, " CA " at (19.080, 201.769, 25.360), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1738, " N " at (20.061, 202.547, 26.123), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1739, " CB " at (17.944, 201.357, 26.289), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1740, " OG " at (18.456, 200.670, 27.431), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1741, " HG " at (18.128, 201.110, 28.255), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1742, " H " at (19.908, 202.704, 27.129), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1743, " C " at (18.768, 204.719, 22.097), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1744, " O " at (18.337, 204.602, 20.929), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1745, " CA " at (17.809, 204.703, 23.279), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1746, " N " at (18.286, 203.843, 24.345), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1747, " CB " at (17.590, 206.134, 23.805), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1748, " CG " at (17.187, 207.121, 22.753), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1749, "CD1 " at (15.857, 207.299, 22.418), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1750, "CD2 " at (18.143, 207.893, 22.079), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1751, "CE1 " at (15.476, 208.231, 21.469), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1752, "CE2 " at (17.769, 208.799, 21.111), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1753, " CZ " at (16.449, 208.973, 20.806), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1754, " OH " at (16.084, 209.894, 19.838), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1755, " HH " at (16.779, 210.420, 19.368), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1756, " H " at (18.462, 204.253, 25.273), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1757, " C " at (20.971, 203.449, 20.595), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1758, " O " at (21.076, 203.394, 19.362), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1759, " CA " at (21.036, 204.785, 21.317), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1760, " N " at (20.067, 204.872, 22.372), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1761, " H " at (20.372, 205.052, 23.339), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1762, " C " at (19.452, 201.014, 19.772), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1763, " O " at (19.459, 200.520, 18.657), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1764, " CA " at (20.718, 201.034, 20.638), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1765, " N " at (20.800, 202.349, 21.324), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1766, " CB " at (20.747, 199.853, 21.640), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1767, "CG1 " at (20.644, 198.530, 20.880), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1768, "CG2 " at (22.012, 199.881, 22.478), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1769, " H " at (20.726, 202.409, 22.350), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1770, " C " at (17.245, 202.440, 18.280), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1771, " O " at (16.815, 202.005, 17.203), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1772, " CA " at (17.108, 201.631, 19.576), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1773, " N " at (18.370, 201.551, 20.304), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1774, " CB " at (16.021, 202.237, 20.484), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1775, "CG2 " at (14.703, 202.302, 19.746), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1776, "OG1 " at (15.881, 201.405, 21.639), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1777, "HG1 " at (15.974, 201.956, 22.456), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1778, " H " at (18.418, 201.925, 21.262), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1779, " C " at (19.033, 203.578, 16.127), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1780, " O " at (18.787, 203.643, 14.890), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1781, " CA " at (18.213, 204.376, 17.150), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1782, " N " at (17.900, 203.601, 18.363), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1783, " CB " at (18.897, 205.703, 17.537), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1784, "CG1 " at (19.418, 206.447, 16.295), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1785, "CG2 " at (17.899, 206.550, 18.299), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1786, " H " at (18.189, 203.958, 19.285), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1787, " C " at (19.979, 200.918, 15.027), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1788, " O " at (20.193, 200.671, 13.846), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1789, " CA " at (20.819, 201.958, 15.743), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1790, " N " at (20.029, 202.827, 16.609), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1791, " CB " at (21.916, 201.259, 16.556), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1792, " CG " at (22.901, 200.517, 15.768), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1793, "CD1 " at (24.092, 200.983, 15.277), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1794, "CD2 " at (22.818, 199.156, 15.388), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1795, "NE1 " at (24.732, 199.993, 14.615), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1796, "CE2 " at (23.997, 198.842, 14.708), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1797, "CE3 " at (21.887, 198.146, 15.627), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1798, "HE1 " at (25.630, 200.090, 14.120), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1799, "CZ2 " at (24.218, 197.597, 14.151), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1800, "CZ3 " at (22.111, 196.908, 15.114), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1801, "CH2 " at (23.281, 196.624, 14.386), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1802, " H " at (20.244, 202.863, 17.616), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1803, " C " at (17.377, 200.020, 13.990), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1804, " O " at (17.146, 199.433, 12.965), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1805, " CA " at (18.167, 199.324, 15.108), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1806, " N " at (19.053, 200.271, 15.742), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1807, " CB " at (17.134, 198.781, 16.070), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1808, " CG " at (17.670, 198.010, 17.283), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1809, " CD " at (16.503, 197.579, 18.156), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1810, "OE1 " at (15.910, 196.516, 17.849), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1811, "OE2 " at (16.161, 198.288, 19.124), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1812, " H " at (18.971, 200.450, 16.753), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1813, " C " at (17.030, 202.244, 11.984), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1814, " O " at (16.608, 202.075, 10.841), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1815, " CA " at (16.178, 201.950, 13.189), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1816, " N " at (16.957, 201.248, 14.210), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1817, " CB " at (15.601, 203.265, 13.760), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1818, " CG " at (14.609, 203.101, 14.937), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1819, "CD1 " at (13.950, 204.412, 15.281), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1820, "CD2 " at (13.561, 202.055, 14.678), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1821, " H " at (17.177, 201.715, 15.101), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1822, " C " at (19.691, 202.107, 10.368), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1823, " O " at (20.173, 202.334, 9.242), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1824, " CA " at (19.090, 203.262, 11.192), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1825, " N " at (18.224, 202.737, 12.248), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1826, " CB " at (20.221, 204.090, 11.788), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1827, " CG " at (19.846, 205.363, 12.474), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1828, " SD " at (18.861, 206.465, 11.436), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 1829, " CE " at (18.216, 207.598, 12.687), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1830, " H " at (18.556, 202.753, 13.223), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1831, " C " at (18.854, 198.983, 9.581), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1832, " O " at (18.929, 197.833, 9.135), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1833, " CA " at (20.068, 199.684, 10.133), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1834, " N " at (19.703, 200.887, 10.924), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1835, " CB " at (20.828, 198.667, 11.010), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1836, "CG2 " at (22.133, 199.265, 11.500), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1837, "OG1 " at (20.028, 198.302, 12.165), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1838, "HG1 " at (20.522, 198.527, 12.993), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1839, " H " at (19.455, 200.782, 11.918), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1840, " C " at (16.155, 197.697, 9.863), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1841, " O " at (15.725, 196.764, 9.221), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1842, " CA " at (16.443, 199.045, 9.200), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1843, " N " at (17.694, 199.629, 9.684), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1844, " CB " at (16.461, 198.920, 7.656), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1845, " CG " at (16.644, 200.236, 6.963), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1846, "CD1 " at (15.572, 201.109, 6.841), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1847, "CD2 " at (17.876, 200.609, 6.469), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1848, "CE1 " at (15.731, 202.341, 6.240), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1849, "CE2 " at (18.040, 201.850, 5.883), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1850, " CZ " at (16.964, 202.707, 5.767), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1851, " H " at (17.677, 200.564, 10.116), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1852, " C " at (17.066, 195.379, 12.071), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1853, " O " at (16.694, 194.235, 12.266), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1854, " CA " at (16.041, 196.465, 11.937), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1855, " N " at (16.384, 197.624, 11.167), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1856, " H " at (16.822, 198.426, 11.642), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1857, " C " at (19.409, 194.350, 13.731), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1858, " O " at (18.980, 195.151, 14.561), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1859, " CA " at (19.379, 194.683, 12.255), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1860, " N " at (18.349, 195.694, 11.996), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1861, " CB " at (20.764, 195.169, 11.848), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1862, " OG " at (20.788, 195.344, 10.442), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1863, " HG " at (20.919, 196.302, 10.231), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1864, " H " at (18.626, 196.656, 11.754), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1865, " C " at (21.400, 193.252, 15.888), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1866, " O " at (22.438, 193.087, 15.256), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1867, " CA " at (20.098, 192.679, 15.362), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1868, " N " at (19.916, 193.159, 14.019), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1869, " CB " at (20.185, 191.138, 15.353), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1870, " CG " at (18.873, 190.493, 14.979), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1871, " CD " at (18.933, 188.983, 14.985), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1872, " CE " at (17.669, 188.426, 14.373), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1873, " NZ " at (17.802, 186.959, 14.165), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1874, "HZ1 " at (17.845, 186.485, 15.079), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1875, "HZ2 " at (16.989, 186.612, 13.636), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1876, "HZ3 " at (18.664, 186.764, 13.636), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1877, " H " at (20.194, 192.546, 13.240), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1878, " C " at (23.614, 193.197, 17.982), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1879, " O " at (23.164, 192.166, 18.539), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1880, " CA " at (22.681, 194.318, 17.576), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1881, " N " at (21.380, 193.840, 17.091), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1882, " CB " at (22.344, 195.193, 18.792), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1883, " CG " at (20.871, 195.131, 18.949), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1884, " CD " at (20.288, 194.108, 18.044), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1885, " C " at (25.580, 191.144, 17.446), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1886, " O " at (25.600, 190.173, 18.167), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1887, " CA " at (25.972, 192.508, 18.009), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1888, " N " at (24.899, 193.432, 17.721), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1889, " CB " at (26.223, 192.415, 19.533), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1890, " CG " at (26.285, 193.748, 20.256), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1891, "CD1 " at (27.458, 194.521, 20.263), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1892, "CD2 " at (25.177, 194.233, 20.899), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1893, "CE1 " at (27.512, 195.747, 20.909), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1894, "CE2 " at (25.199, 195.474, 21.573), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1895, " CZ " at (26.374, 196.226, 21.580), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 1896, " OH " at (26.367, 197.430, 22.250), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1897, " HH " at (25.546, 197.735, 22.712), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1898, " H " at (25.144, 194.332, 17.285), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1899, " C " at (25.391, 188.633, 15.728), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1900, " O " at (26.557, 188.640, 15.299), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1901, " CA " at (24.505, 189.888, 15.638), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1902, " N " at (25.189, 191.087, 16.173), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1903, " CB " at (24.019, 190.102, 14.189), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1904, " CG " at (23.428, 188.826, 13.573), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1905, "OD1 " at (22.478, 188.258, 14.142), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1906, "OD2 " at (23.943, 188.355, 12.532), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1907, " H " at (25.365, 191.890, 15.552), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1908, " C " at (26.586, 186.322, 17.603), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1909, " O " at (27.247, 185.318, 17.785), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1910, " CA " at (25.579, 186.347, 16.469), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1911, " N " at (24.845, 187.575, 16.325), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1912, " H " at (23.883, 187.637, 16.689), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1913, " C " at (26.737, 186.886, 20.782), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1914, " O " at (25.679, 187.444, 21.002), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1915, " CA " at (27.564, 187.347, 19.584), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1916, " N " at (26.708, 187.391, 18.387), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1917, " CB " at (28.205, 188.711, 19.862), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1918, "CG2 " at (28.845, 188.716, 21.239), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1919, "CG1 " at (29.248, 188.997, 18.779), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1920, "CD1 " at (29.778, 190.410, 18.773), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1921, " H " at (26.199, 188.256, 18.154), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1922, " C " at (26.272, 186.538, 23.738), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1923, " O " at (27.221, 187.295, 23.946), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1924, " CA " at (26.413, 185.428, 22.716), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1925, " N " at (27.199, 185.865, 21.550), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1926, " CB " at (27.244, 184.287, 23.314), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1927, " CG " at (28.123, 183.803, 22.212), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1928, " CD " at (28.398, 185.018, 21.355), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1929, " C " at (25.888, 187.683, 26.466), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1930, " O " at (26.304, 188.737, 26.949), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1931, " CA " at (24.835, 187.685, 25.349), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1932, " N " at (25.102, 186.633, 24.371), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1933, " CB " at (23.434, 187.528, 25.935), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1934, " H " at (24.365, 185.944, 24.164), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1935, " C " at (28.690, 186.995, 27.525), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1936, " O " at (29.543, 187.110, 28.375), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1937, " CA " at (27.336, 186.397, 27.903), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1938, " N " at (26.355, 186.508, 26.838), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1939, " CB " at (27.535, 184.924, 28.301), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1940, " OG " at (28.058, 184.176, 27.223), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1941, " HG " at (28.588, 183.417, 27.574), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1942, " H " at (26.019, 185.656, 26.366), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1943, " C " at (30.073, 189.501, 25.746), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1944, " O " at (31.070, 190.175, 25.568), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1945, " CA " at (30.174, 187.992, 25.870), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1946, " N " at (28.908, 187.350, 26.262), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1947, " CB " at (30.657, 187.450, 24.545), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1948, " CG " at (30.985, 185.977, 24.575), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1949, " CD " at (31.443, 185.498, 23.228), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1950, "OE1 " at (31.271, 184.296, 22.931), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1951, "OE2 " at (31.981, 186.327, 22.463), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1952, " H " at (28.184, 187.174, 25.551), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1953, " C " at (29.351, 192.414, 26.589), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1954, " O " at (29.975, 193.396, 26.182), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1955, " CA " at (28.678, 191.462, 25.594), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1956, " N " at (28.876, 190.041, 25.859), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1957, " CB " at (27.189, 191.794, 25.500), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1958, "CG2 " at (26.981, 193.280, 25.540), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1959, "CG1 " at (26.592, 191.174, 24.231), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1960, "CD1 " at (27.159, 191.686, 22.917), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1961, " H " at (28.075, 189.456, 26.136), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1962, " C " at (31.426, 193.051, 28.597), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1963, " O " at (31.914, 194.175, 28.618), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1964, " CA " at (29.922, 192.840, 28.923), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1965, " N " at (29.206, 192.128, 27.880), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1966, " CB " at (29.757, 192.067, 30.233), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1967, " OG " at (30.475, 192.684, 31.259), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1968, " HG " at (30.124, 192.383, 32.134), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1969, " H " at (28.561, 191.372, 28.150), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1970, " C " at (34.004, 192.869, 26.790), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1971, " O " at (34.996, 193.614, 26.819), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1972, " CA " at (33.607, 192.086, 28.062), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1973, " N " at (32.142, 191.989, 28.250), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1974, " CB " at (34.268, 190.700, 28.100), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1975, " OG " at (34.049, 190.029, 26.871), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1976, " HG " at (33.747, 189.103, 27.050), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1977, " H " at (31.671, 191.084, 28.109), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1978, " C " at (33.120, 195.048, 24.840), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1979, " O " at (33.948, 195.841, 24.429), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1980, " CA " at (33.240, 193.570, 24.507), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1981, " N " at (33.175, 192.741, 25.724), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1982, " CB " at (32.154, 193.110, 23.492), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1983, "CG2 " at (31.822, 194.150, 22.432), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1984, "CG1 " at (32.644, 191.819, 22.821), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1985, "CD1 " at (31.570, 191.100, 22.039), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1986, " H " at (32.448, 192.012, 25.768), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1987, " C " at (32.949, 197.371, 26.799), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1988, " O " at (33.349, 198.522, 26.675), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1989, " CA " at (31.840, 196.823, 25.910), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1990, " N " at (32.092, 195.418, 25.588), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 1991, " CB " at (30.496, 196.973, 26.619), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1992, " CG " at (29.274, 196.647, 25.772), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1993, "CD1 " at (27.987, 196.766, 26.600), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1994, "CD2 " at (29.213, 197.549, 24.543), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1995, " H " at (31.453, 194.698, 25.953), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 1996, " C " at (35.766, 197.272, 27.833), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1997, " O " at (36.463, 198.197, 28.188), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 1998, " CA " at (34.491, 196.953, 28.606), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 1999, " N " at (33.432, 196.538, 27.711), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2000, " CB " at (34.778, 195.877, 29.671), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2001, " CG " at (33.693, 195.755, 30.710), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2002, " CD " at (34.067, 194.795, 31.829), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2003, "OE1 " at (33.806, 193.568, 31.696), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2004, "OE2 " at (34.608, 195.295, 32.845), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2005, " H " at (33.049, 195.585, 27.783), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2006, " C " at (37.004, 198.136, 25.035), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2007, " O " at (37.948, 198.586, 24.375), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2008, " CA " at (37.207, 196.871, 25.912), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2009, " N " at (36.065, 196.532, 26.772), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2010, " CB " at (37.578, 195.684, 25.028), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2011, " CG " at (38.075, 194.482, 25.811), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2012, " CD " at (38.850, 193.526, 24.913), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2013, " CE " at (39.345, 192.306, 25.672), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2014, " NZ " at (38.176, 191.612, 26.286), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2015, "HZ1 " at (38.251, 191.656, 27.312), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2016, "HZ2 " at (37.306, 192.073, 25.985), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2017, "HZ3 " at (38.164, 190.627, 25.985), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2018, " H " at (35.488, 195.708, 26.549), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2019, " C " at (34.892, 199.827, 22.966), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2020, " O " at (34.729, 200.788, 22.238), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2021, " CA " at (35.542, 199.984, 24.327), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2022, " N " at (35.797, 198.699, 25.017), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2023, " H " at (35.018, 198.226, 25.497), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2024, " C " at (32.422, 198.727, 21.469), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2025, " O " at (31.830, 198.628, 22.536), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2026, " CA " at (33.885, 198.337, 21.352), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2027, " N " at (34.551, 198.599, 22.608), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2028, " CB " at (34.026, 196.867, 20.988), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2029, " CG " at (33.201, 196.429, 19.802), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2030, " CD " at (33.453, 194.984, 19.403), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2031, "OE1 " at (32.591, 194.474, 18.632), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2032, "OE2 " at (34.493, 194.375, 19.841), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2033, " H " at (34.765, 197.813, 23.238), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2034, " C " at (29.876, 199.167, 18.970), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2035, " O " at (30.581, 198.718, 18.108), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2036, " CA " at (30.467, 199.588, 20.303), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2037, " N " at (31.854, 199.204, 20.359), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2038, " CB " at (30.317, 201.117, 20.431), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2039, " CG " at (30.845, 201.701, 21.743), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2040, " CD " at (29.991, 201.278, 22.900), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2041, " NE " at (30.370, 201.906, 24.148), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2042, " HE " at (29.871, 202.769, 24.407), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2043, " CZ " at (31.306, 201.471, 24.994), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2044, "NH1 " at (31.523, 202.129, 26.133), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2045, "NH2 " at (31.965, 200.356, 24.767), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2046, "HH12" at (32.244, 201.798, 26.790), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2047, "HH11" at (30.970, 202.968, 26.356), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2048, "HH22" at (32.684, 200.038, 25.433), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2049, "HH21" at (31.763, 199.801, 23.923), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2050, " H " at (32.430, 199.301, 19.510), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2051, " C " at (28.463, 199.931, 16.449), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2052, " O " at (28.745, 201.117, 16.693), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2053, " CA " at (27.915, 199.034, 17.557), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2054, " N " at (28.570, 199.360, 18.802), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2055, " CB " at (26.404, 199.236, 17.683), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2056, " CG " at (25.670, 198.221, 18.605), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2057, "CD1 " at (24.345, 198.743, 19.067), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2058, "CD2 " at (25.534, 196.879, 17.905), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2059, " H " at (28.014, 199.750, 19.577), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2060, " C " at (28.299, 201.198, 13.556), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2061, " O " at (27.076, 201.225, 13.786), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2062, " CA " at (29.198, 200.127, 14.179), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2063, " N " at (28.553, 199.397, 15.244), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2064, " CB " at (29.575, 199.024, 13.176), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2065, " CG " at (28.493, 198.000, 13.349), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2066, " CD " at (28.147, 198.036, 14.819), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2067, " C " at (27.352, 202.605, 11.004), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2068, " O " at (27.842, 202.013, 10.058), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2069, " CA " at (28.239, 203.154, 12.107), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2070, " N " at (28.928, 202.100, 12.827), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2071, " CB " at (29.271, 204.134, 11.537), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2072, " CG " at (28.658, 205.434, 11.012), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2073, " CD " at (29.693, 206.530, 10.743), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2074, "OE1 " at (30.898, 206.303, 11.174), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2075, "NE2 " at (29.391, 207.564, 10.119), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2076, "HE22" at (30.102, 208.289, 9.949), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2077, "HE21" at (28.430, 207.694, 9.773), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2078, " H " at (29.955, 202.054, 12.766), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2079, " C " at (25.533, 203.002, 8.686), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2080, " O " at (25.865, 204.187, 8.689), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2081, " CA " at (25.192, 202.287, 10.022), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2082, " N " at (26.016, 202.784, 11.111), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2083, " CB " at (23.774, 202.623, 10.473), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2084, " CG " at (23.867, 202.713, 11.966), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2085, " CD " at (25.213, 203.322, 12.221), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2086, " C " at (25.102, 204.249, 5.948), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2087, " O " at (25.713, 205.111, 5.325), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2088, " CA " at (25.795, 202.916, 6.284), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2089, " N " at (25.486, 202.295, 7.579), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2090, " CB " at (25.355, 201.830, 5.284), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2091, " CG " at (25.594, 200.539, 6.019), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2092, " CD " at (25.339, 200.827, 7.468), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2093, " C " at (23.514, 206.819, 6.810), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2094, " O " at (23.113, 207.921, 6.493), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2095, " CA " at (23.136, 205.617, 5.944), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2096, " N " at (23.826, 204.400, 6.278), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2097, " CB " at (21.589, 205.452, 5.990), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2098, "CG2 " at (21.147, 204.403, 4.974), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2099, "CG1 " at (21.109, 205.145, 7.403), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2100, "CD1 " at (19.592, 205.220, 7.567), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2101, " H " at (23.329, 203.646, 6.773), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2102, " C " at (25.614, 208.453, 8.642), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2103, " O " at (26.730, 207.918, 8.592), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2104, " CA " at (24.378, 207.627, 8.936), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2105, " N " at (24.196, 206.597, 7.921), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2106, " CB " at (24.576, 207.023, 10.329), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2107, " SG " at (23.076, 206.244, 10.933), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2108, " HG " at (23.080, 206.246, 12.303), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2109, " H " at (24.612, 205.667, 8.074), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2110, " C " at (27.228, 210.598, 10.013), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2111, " O " at (26.648, 210.069, 10.954), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2112, " CA " at (26.545, 210.684, 8.670), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2113, " N " at (25.426, 209.760, 8.631), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2114, " CB " at (26.050, 212.121, 8.428), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2115, "CG2 " at (25.500, 212.225, 6.980), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2116, "OG1 " at (25.036, 212.464, 9.395), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2117, "HG1 " at (25.397, 212.342, 10.309), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2118, " H " at (24.466, 210.131, 8.594), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2119, " C " at (28.268, 211.982, 12.475), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2120, " O " at (28.327, 211.672, 13.695), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2121, " CA " at (29.096, 211.252, 11.406), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2122, " N " at (28.433, 211.152, 10.118), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2123, " CB " at (30.521, 211.828, 11.265), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2124, "CG2 " at (30.517, 213.190, 10.569), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2125, "CG1 " at (31.208, 211.930, 12.617), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2126, "CD1 " at (32.700, 211.989, 12.490), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2127, " H " at (28.901, 211.514, 9.275), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2128, " C " at (25.702, 212.790, 13.705), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2129, " O " at (25.517, 212.896, 14.928), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2130, " CA " at (26.679, 213.711, 12.990), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2131, " N " at (27.491, 212.957, 12.049), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2132, " CB " at (25.875, 214.783, 12.258), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2133, " CG " at (26.725, 215.741, 11.508), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2134, "OD1 " at (27.319, 215.421, 10.442), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2135, "OD2 " at (26.787, 216.866, 11.960), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2136, " H " at (27.459, 213.186, 11.045), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2137, " C " at (24.794, 209.882, 14.387), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2138, " O " at (24.371, 209.555, 15.517), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2139, " CA " at (24.090, 210.964, 13.582), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2140, " N " at (25.038, 211.903, 12.956), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2141, " CB " at (23.116, 210.341, 12.568), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2142, "CG1 " at (22.213, 209.320, 13.243), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2143, "CG2 " at (22.276, 211.429, 11.896), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2144, " H " at (25.190, 211.876, 11.938), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2145, " C " at (27.163, 208.891, 15.924), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2146, " O " at (27.189, 208.181, 16.939), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2147, " CA " at (26.602, 208.343, 14.634), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2148, " N " at (25.867, 209.327, 13.859), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2149, " CB " at (27.709, 207.734, 13.823), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2150, " CG " at (28.355, 206.514, 14.440), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2151, "CD1 " at (27.601, 205.428, 14.912), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2152, "CD2 " at (29.736, 206.429, 14.535), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2153, "CE1 " at (28.217, 204.323, 15.484), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2154, "CE2 " at (30.357, 205.318, 15.039), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2155, " CZ " at (29.607, 204.276, 15.550), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2156, " OH " at (30.302, 203.203, 16.065), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2157, " HH " at (31.292, 203.220, 16.089), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2158, " H " at (26.179, 209.587, 12.912), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2159, " C " at (27.153, 210.789, 18.238), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2160, " O " at (27.499, 210.521, 19.391), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2161, " CA " at (28.179, 210.745, 17.105), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2162, " N " at (27.642, 210.127, 15.902), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2163, " CB " at (28.658, 212.158, 16.820), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2164, " CG " at (29.360, 212.807, 17.996), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2165, " SD " at (31.003, 212.073, 18.315), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2166, " CE " at (31.814, 212.562, 16.783), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2167, " H " at (27.634, 210.658, 15.020), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2168, " C " at (24.740, 209.631, 19.524), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2169, " O " at (24.661, 209.483, 20.733), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2170, " CA " at (24.854, 211.023, 18.904), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2171, " N " at (25.897, 211.085, 17.910), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2172, " CB " at (23.483, 211.456, 18.354), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2173, "CG2 " at (22.412, 211.256, 19.432), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2174, "CG1 " at (23.549, 212.913, 17.935), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2175, "CD1 " at (22.300, 213.309, 17.155), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2176, " H " at (25.670, 211.359, 16.944), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2177, " C " at (25.810, 206.945, 20.066), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2178, " O " at (25.587, 206.383, 21.138), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2179, " CA " at (24.669, 207.259, 19.155), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2180, " N " at (24.739, 208.618, 18.685), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2181, " CB " at (24.745, 206.285, 17.998), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2182, " CG " at (23.392, 205.947, 17.420), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2183, " SD " at (23.582, 204.951, 15.902), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2184, " CE " at (23.305, 206.304, 14.879), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2185, " H " at (24.789, 208.800, 17.673), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2186, " C " at (28.139, 207.714, 21.739), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2187, " O " at (28.530, 207.146, 22.763), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2188, " CA " at (28.222, 207.013, 20.387), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2189, " N " at (27.037, 207.247, 19.602), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2190, " CB " at (29.522, 207.428, 19.625), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2191, "CG1 " at (30.729, 207.431, 20.550), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2192, "CG2 " at (29.805, 206.446, 18.485), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2193, " H " at (27.131, 207.656, 18.661), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2194, " C " at (26.592, 208.945, 24.043), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2195, " O " at (26.812, 208.996, 25.268), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2196, " CA " at (27.554, 209.643, 23.045), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2197, " N " at (27.660, 208.955, 21.776), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2198, " CB " at (27.100, 211.074, 22.831), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2199, " CG " at (28.184, 211.980, 22.292), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2200, " CD " at (27.522, 213.315, 21.989), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2201, " CE " at (28.518, 214.315, 21.457), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2202, " NZ " at (27.801, 215.603, 21.313), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2203, "HZ1 " at (27.589, 215.984, 22.246), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2204, "HZ2 " at (28.393, 216.269, 20.796), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2205, "HZ3 " at (26.923, 215.451, 20.796), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2206, " H " at (27.366, 209.423, 20.907), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2207, " C " at (25.314, 206.319, 24.992), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2208, " O " at (24.744, 205.768, 25.916), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2209, " CA " at (24.644, 207.529, 24.316), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2210, " N " at (25.538, 208.325, 23.509), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2211, " CB " at (23.448, 207.061, 23.502), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2212, " SG " at (22.355, 208.365, 22.974), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2213, " HG " at (21.829, 208.993, 24.072), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2214, " H " at (25.358, 208.416, 22.499), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2215, " C " at (28.537, 205.008, 25.608), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2216, " O " at (29.422, 204.141, 25.691), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2217, " CA " at (27.192, 204.726, 24.927), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2218, " N " at (26.492, 205.907, 24.495), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2219, " CB " at (27.415, 203.777, 23.737), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2220, " CG " at (26.186, 203.424, 22.954), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2221, "CD1 " at (24.933, 203.234, 23.429), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2222, "CD2 " at (26.115, 203.183, 21.547), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2223, "NE1 " at (24.074, 202.905, 22.405), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2224, "CE2 " at (24.775, 202.873, 21.237), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2225, "CE3 " at (27.038, 203.212, 20.523), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2226, "HE1 " at (23.067, 202.714, 22.505), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2227, "CZ2 " at (24.356, 202.587, 19.954), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2228, "CZ3 " at (26.623, 202.909, 19.246), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2229, "CH2 " at (25.277, 202.620, 18.970), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2230, " H " at (26.924, 206.476, 23.753), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2231, " C " at (29.697, 205.843, 28.286), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2232, " O " at (28.617, 205.600, 28.792), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2233, " CA " at (29.768, 206.579, 26.958), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2234, " N " at (28.658, 206.198, 26.160), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2235, " CB " at (29.702, 208.047, 27.283), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2236, " CG " at (29.632, 208.929, 26.083), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2237, " SD " at (31.249, 209.497, 25.680), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2238, " CE " at (30.787, 211.222, 25.735), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2239, " H " at (27.909, 206.887, 26.004), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2240, " C " at (30.433, 205.793, 31.265), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2241, " O " at (29.826, 205.292, 32.204), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2242, " CA " at (30.938, 204.906, 30.133), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2243, " N " at (30.856, 205.550, 28.850), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2244, " CB " at (32.365, 204.398, 30.387), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2245, "CG2 " at (32.613, 204.089, 31.853), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2246, "CG1 " at (32.569, 203.129, 29.570), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2247, "CD1 " at (33.951, 202.546, 29.666), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2248, " H " at (31.727, 205.790, 28.355), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2249, " C " at (28.805, 208.301, 31.974), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2250, " O " at (28.520, 209.013, 31.019), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2251, " CA " at (30.250, 207.957, 32.278), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2252, " N " at (30.705, 207.098, 31.216), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2253, " CB " at (31.068, 209.224, 32.403), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2254, " CG " at (30.518, 210.129, 33.503), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2255, "OD1 " at (30.131, 209.591, 34.546), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2256, "OD2 " at (30.407, 211.354, 33.328), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2257, " H " at (31.236, 207.488, 30.425), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2258, " C " at (26.019, 209.401, 32.370), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2259, " O " at (25.159, 209.762, 31.577), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2260, " CA " at (26.468, 207.924, 32.457), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2261, " N " at (27.881, 207.774, 32.759), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2262, " CB " at (25.641, 207.218, 33.527), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2263, " H " at (28.167, 207.249, 33.598), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2264, " C " at (26.800, 212.377, 32.061), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2265, " O " at (26.404, 213.506, 31.860), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2266, " CA " at (26.248, 211.625, 33.255), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2267, " N " at (26.600, 210.232, 33.212), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2268, " CB " at (26.739, 212.266, 34.543), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2269, " CG " at (25.947, 211.813, 35.739), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2270, "OD1 " at (24.721, 211.548, 35.606), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2271, "OD2 " at (26.563, 211.683, 36.790), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2272, " H " at (27.322, 209.875, 33.854), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2273, " C " at (27.299, 212.075, 28.866), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2274, " O " at (27.515, 212.627, 27.806), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2275, " CA " at (28.192, 212.332, 30.035), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2276, " N " at (27.726, 211.774, 31.318), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2277, " CB " at (29.552, 211.749, 29.648), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2278, " OG " at (30.463, 212.284, 30.543), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2279, " HG " at (30.160, 212.106, 31.468), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2280, " H " at (28.131, 210.887, 31.651), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2281, " C " at (24.488, 211.963, 27.678), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2282, " O " at (24.220, 212.724, 28.578), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2283, " CA " at (25.516, 210.830, 27.878), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2284, " N " at (26.346, 211.181, 29.008), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2285, " CB " at (24.907, 209.448, 28.126), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2286, " CG " at (25.935, 208.554, 28.817), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2287, " CD " at (25.941, 207.104, 28.394), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2288, " NE " at (24.940, 206.348, 29.098), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2289, " HE " at (23.957, 206.511, 28.836), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2290, " CZ " at (25.175, 205.454, 30.061), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2291, "NH1 " at (26.403, 205.144, 30.466), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2292, "NH2 " at (24.141, 204.859, 30.620), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2293, "HH12" at (26.539, 204.448, 31.213), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2294, "HH11" at (27.219, 205.600, 30.033), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2295, "HH22" at (24.288, 204.164, 31.366), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2296, "HH21" at (23.186, 205.089, 30.311), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2297, " H " at (26.191, 210.732, 29.922), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2298, " C " at (21.739, 212.879, 27.203), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2299, " O " at (21.466, 211.745, 27.598), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2300, " CA " at (22.959, 213.135, 26.304), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2301, " N " at (23.967, 212.102, 26.471), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2302, " CB " at (22.565, 213.002, 24.829), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2303, " CG " at (23.633, 212.186, 24.195), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2304, " CD " at (24.122, 211.281, 25.268), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2305, " C " at (18.597, 213.745, 27.039), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2306, " O " at (18.723, 214.244, 25.932), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2307, " CA " at (19.694, 213.856, 28.094), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2308, " N " at (21.003, 213.935, 27.475), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2309, " CB " at (19.439, 215.099, 28.951), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2310, " CG " at (20.463, 215.359, 30.071), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2311, " CD " at (20.485, 214.283, 31.176), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2312, " CE " at (19.184, 214.186, 32.037), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2313, " NZ " at (18.890, 212.859, 32.754), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2314, "HZ1 " at (18.922, 213.005, 33.773), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2315, "HZ2 " at (17.954, 212.523, 32.485), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2316, "HZ3 " at (19.596, 212.159, 32.485), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2317, " H " at (21.375, 214.865, 27.236), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2318, " C " at (15.951, 214.266, 25.852), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2319, " O " at (15.649, 214.385, 24.656), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2320, " CA " at (16.424, 212.929, 26.415), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2321, " N " at (17.498, 213.086, 27.374), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2322, " CB " at (15.254, 212.154, 27.036), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2323, " CG " at (15.523, 210.664, 27.162), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2324, "CD1 " at (15.745, 209.900, 26.039), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2325, "CD2 " at (15.555, 210.042, 28.410), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2326, "CE1 " at (16.016, 208.542, 26.134), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2327, "CE2 " at (15.805, 208.687, 28.522), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2328, " CZ " at (16.058, 207.930, 27.390), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2329, " H " at (17.407, 212.684, 28.318), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2330, " C " at (16.466, 217.180, 25.181), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2331, " O " at (16.029, 217.850, 24.278), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2332, " CA " at (15.503, 216.593, 26.221), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2333, " N " at (15.965, 215.291, 26.674), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2334, " CB " at (15.268, 217.536, 27.392), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2335, " CG " at (16.486, 217.871, 28.238), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2336, " CD " at (16.202, 218.958, 29.291), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2337, " NE " at (15.722, 220.187, 28.612), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2338, " HE " at (14.723, 220.417, 28.714), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2339, " CZ " at (16.470, 221.029, 27.875), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2340, "NH1 " at (17.784, 220.846, 27.733), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2341, "NH2 " at (15.897, 222.091, 27.290), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2342, "HH12" at (18.337, 221.503, 27.164), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2343, "HH11" at (18.245, 220.048, 28.192), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2344, "HH22" at (16.466, 222.737, 26.725), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2345, "HH21" at (14.888, 222.260, 27.405), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2346, " H " at (16.303, 215.172, 27.640), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2347, " C " at (18.596, 216.488, 23.002), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2348, " O " at (18.742, 217.038, 21.901), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2349, " CA " at (18.754, 217.266, 24.293), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2350, " N " at (17.772, 216.917, 25.318), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2351, " CB " at (20.183, 217.067, 24.838), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2352, " CG " at (20.430, 217.944, 26.070), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2353, " CD " at (21.718, 217.610, 26.811), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2354, "OE1 " at (22.242, 216.503, 26.676), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2355, "OE2 " at (22.198, 218.478, 27.511), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2356, " H " at (18.097, 216.452, 26.178), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2357, " C " at (16.875, 214.812, 21.159), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2358, " O " at (16.929, 214.781, 19.909), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2359, " CA " at (18.081, 214.351, 21.989), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2360, " N " at (18.304, 215.207, 23.130), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2361, " CB " at (17.963, 212.882, 22.425), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2362, " CG " at (19.254, 212.323, 23.038), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2363, "CD1 " at (18.927, 211.087, 23.849), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2364, "CD2 " at (20.311, 212.023, 21.985), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2365, " H " at (18.233, 214.805, 24.076), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2366, " C " at (15.163, 217.075, 20.299), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2367, " O " at (14.773, 217.200, 19.128), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2368, " CA " at (14.692, 215.884, 21.148), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2369, " N " at (15.827, 215.292, 21.831), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2370, " CB " at (13.585, 216.379, 22.127), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2371, "CG2 " at (12.493, 217.139, 21.382), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2372, "CG1 " at (13.012, 215.197, 22.898), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2373, "CD1 " at (12.223, 215.613, 24.127), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2374, " H " at (15.824, 215.241, 22.860), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2375, " C " at (17.321, 218.764, 19.007), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2376, " O " at (17.091, 219.212, 17.873), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2377, " CA " at (16.464, 219.166, 20.196), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2378, " N " at (15.989, 217.943, 20.882), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2379, " CB " at (17.212, 220.088, 21.152), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2380, "CG2 " at (17.915, 221.221, 20.402), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2381, "CG1 " at (16.204, 220.679, 22.149), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2382, "CD1 " at (16.869, 221.308, 23.370), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2383, " H " at (16.308, 217.757, 21.843), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2384, " C " at (18.556, 216.808, 17.018), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2385, " O " at (18.830, 217.146, 15.843), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2386, " CA " at (19.223, 217.507, 18.194), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2387, " N " at (18.253, 217.844, 19.238), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2388, " CB " at (20.397, 216.691, 18.781), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2389, " CG " at (21.218, 217.435, 19.843), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2390, " CD " at (21.762, 218.799, 19.360), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2391, "OE1 " at (21.560, 219.834, 20.050), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2392, "OE2 " at (22.357, 218.854, 18.261), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2393, " H " at (18.293, 217.369, 20.151), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2394, " C " at (15.971, 216.034, 15.501), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2395, " O " at (15.756, 215.897, 14.278), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2396, " CA " at (17.002, 215.136, 16.200), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2397, " N " at (17.649, 215.853, 17.297), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2398, " CB " at (16.428, 213.790, 16.675), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2399, " CG " at (17.440, 212.691, 16.767), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2400, "CD1 " at (17.960, 212.129, 15.612), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2401, "CD2 " at (17.882, 212.193, 17.987), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2402, "CE1 " at (18.918, 211.117, 15.674), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2403, "CE2 " at (18.818, 211.190, 18.051), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2404, " CZ " at (19.319, 210.624, 16.905), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2405, " H " at (17.413, 215.630, 18.274), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2406, " C " at (15.149, 218.777, 14.613), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2407, " O " at (14.584, 219.091, 13.572), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2408, " CA " at (14.445, 217.937, 15.632), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2409, " N " at (15.347, 216.966, 16.243), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2410, " CB " at (13.805, 218.907, 16.668), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2411, " OG " at (12.993, 218.078, 17.448), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2412, " HG " at (13.166, 218.254, 18.407), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2413, " H " at (15.508, 216.995, 17.260), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2414, " C " at (17.522, 219.216, 12.785), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2415, " O " at (17.416, 219.752, 11.670), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2416, " CA " at (17.161, 219.999, 14.041), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2417, " N " at (16.349, 219.227, 14.959), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2418, " CB " at (18.396, 220.578, 14.731), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2419, " CG " at (17.960, 221.526, 15.861), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2420, " CD " at (18.991, 222.557, 16.311), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2421, " CE " at (20.119, 221.968, 17.144), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2422, " NZ " at (20.694, 223.045, 18.010), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2423, "HZ1 " at (20.561, 222.796, 19.001), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2424, "HZ2 " at (21.700, 223.144, 17.813), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2425, "HZ3 " at (20.216, 223.936, 17.813), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2426, " H " at (16.711, 219.023, 15.901), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2427, " C " at (17.029, 216.845, 10.938), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2428, " O " at (17.151, 216.808, 9.692), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2429, " CA " at (18.240, 217.128, 11.815), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2430, " N " at (17.878, 217.962, 12.949), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2431, " CB " at (18.890, 215.859, 12.265), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2432, " CG " at (20.242, 216.097, 12.932), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2433, " SD " at (20.928, 214.542, 13.469), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2434, " CE " at (22.538, 215.072, 14.003), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2435, " H " at (17.901, 217.563, 13.898), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2436, " C " at (14.243, 217.599, 9.846), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2437, " O " at (13.423, 217.389, 8.955), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2438, " CA " at (14.634, 216.477, 10.751), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2439, " N " at (15.855, 216.722, 11.542), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2440, " CB " at (13.457, 216.129, 11.644), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2441, " H " at (15.795, 216.798, 12.567), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2442, " C " at (15.357, 219.906, 7.968), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2443, " O " at (15.043, 220.632, 7.033), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2444, " CA " at (14.496, 219.920, 9.229), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2445, " N " at (14.740, 218.810, 10.102), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2446, " CB " at (14.623, 221.247, 9.996), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2447, " CG " at (13.531, 221.332, 11.088), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2448, " CD " at (13.301, 222.726, 11.660), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2449, " NE " at (14.546, 223.317, 12.153), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2450, " HE " at (15.085, 223.894, 11.491), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2451, " CZ " at (15.050, 223.175, 13.390), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2452, "NH1 " at (16.219, 223.772, 13.676), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2453, "NH2 " at (14.418, 222.452, 14.343), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2454, "HH12" at (16.628, 223.679, 14.617), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2455, "HH11" at (16.706, 224.322, 12.955), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2456, "HH22" at (14.832, 222.363, 15.282), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2457, "HH21" at (13.522, 221.990, 14.130), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2458, " H " at (15.312, 218.951, 10.947), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2459, " C " at (17.726, 217.494, 6.645), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2460, " O " at (18.912, 217.152, 6.809), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2461, " CA " at (17.289, 218.976, 6.718), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2462, " N " at (16.415, 219.093, 7.928), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2463, " CB " at (18.499, 219.951, 6.776), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2464, " CG " at (19.297, 220.012, 5.471), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2465, "OD1 " at (18.880, 219.354, 4.494), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2466, "OD2 " at (20.363, 220.701, 5.398), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2467, " H " at (16.638, 218.526, 8.759), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2468, " C " at (18.064, 214.596, 5.823), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2469, " O " at (18.801, 213.770, 6.341), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2470, " CA " at (16.971, 215.220, 6.688), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2471, " N " at (16.745, 216.605, 6.461), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2472, " CB " at (15.604, 214.574, 6.456), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2473, " CG " at (14.794, 215.543, 5.697), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2474, " CD " at (15.349, 216.898, 6.044), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2475, " C " at (20.575, 214.951, 3.923), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2476, " O " at (21.524, 214.429, 3.359), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2477, " CA " at (19.152, 214.417, 3.669), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2478, " N " at (18.196, 215.010, 4.562), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2479, " CB " at (18.730, 214.622, 2.201), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2480, " CG " at (17.369, 213.983, 1.895), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2481, " CD " at (17.123, 213.737, 0.395), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2482, "OE1 " at (18.007, 213.384, -0.364), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2483, "NE2 " at (15.903, 213.917, -0.018), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2484, "HE22" at (15.668, 213.770, -1.010), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2485, "HE21" at (15.172, 214.207, 0.647), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2486, " H " at (17.597, 215.775, 4.220), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2487, " C " at (22.545, 215.344, 6.287), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2488, " O " at (23.757, 215.238, 6.487), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2489, " CA " at (22.031, 216.355, 5.265), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2490, " N " at (20.713, 215.977, 4.770), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2491, " CB " at (22.030, 217.741, 5.893), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2492, " CG " at (23.401, 218.169, 6.431), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2493, " CD " at (23.328, 219.532, 7.110), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2494, " NE " at (24.643, 219.987, 7.549), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2495, " HE " at (25.450, 219.366, 7.395), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2496, " CZ " at (24.856, 221.163, 8.139), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2497, "NH1 " at (23.824, 221.987, 8.414), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2498, "NH2 " at (26.087, 221.486, 8.498), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2499, "HH12" at (23.997, 222.894, 8.870), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2500, "HH11" at (22.863, 221.709, 8.168), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2501, "HH22" at (26.270, 222.391, 8.955), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2502, "HH21" at (26.863, 220.833, 8.321), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2503, " H " at (19.882, 216.504, 5.075), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2504, " C " at (21.962, 212.252, 7.824), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2505, " O " at (22.698, 211.500, 8.469), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2506, " CA " at (22.037, 213.765, 8.066), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2507, " N " at (21.647, 214.620, 6.941), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2508, " CB " at (21.234, 214.184, 9.312), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2509, " CG " at (21.580, 215.583, 9.692), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2510, "CD1 " at (22.832, 215.867, 10.260), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2511, "CD2 " at (20.749, 216.624, 9.417), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2512, "CE1 " at (23.187, 217.176, 10.573), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2513, "CE2 " at (21.101, 217.946, 9.736), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2514, " CZ " at (22.321, 218.186, 10.352), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2515, " OH " at (22.717, 219.463, 10.667), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2516, " HH " at (22.102, 220.224, 10.515), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2517, " H " at (20.659, 214.659, 6.654), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2518, " C " at (21.028, 210.386, 4.943), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2519, " O " at (20.301, 211.136, 4.296), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2520, " CA " at (21.029, 210.443, 6.443), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2521, " N " at (21.124, 211.838, 6.862), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2522, " CB " at (19.751, 209.828, 7.027), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2523, " CG " at (19.533, 209.777, 8.552), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2524, "CD1 " at (18.151, 209.220, 8.876), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2525, "CD2 " at (20.584, 208.917, 9.207), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2526, " H " at (20.522, 212.534, 6.399), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2527, " C " at (21.494, 208.047, 2.517), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2528, " O " at (22.160, 207.003, 2.678), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2529, " CA " at (22.059, 209.422, 2.950), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2530, " N " at (21.873, 209.532, 4.375), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2531, " CB " at (23.578, 209.495, 2.678), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2532, "CG1 " at (23.840, 209.468, 1.197), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2533, "CG2 " at (24.146, 210.752, 3.331), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2534, " H " at (22.426, 208.915, 4.987), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2535, " C " at (19.009, 206.718, 0.411), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2536, " O " at (18.469, 207.645, -0.158), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2537, " CA " at (19.453, 206.845, 1.871), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2538, " N " at (20.260, 208.059, 2.035), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2539, " CB " at (18.182, 206.873, 2.708), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2540, "CG2 " at (17.370, 205.566, 2.526), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2541, "CG1 " at (18.478, 207.040, 4.178), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2542, "CD1 " at (17.220, 207.141, 5.009), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2543, " H " at (19.848, 208.963, 1.763), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2544, " C " at (17.328, 205.382, -1.668), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2545, " O " at (16.601, 204.933, -0.815), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2546, " CA " at (18.818, 205.227, -1.524), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2547, " N " at (19.220, 205.544, -0.158), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2548, " CB " at (19.187, 203.772, -1.831), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2549, " CG " at (18.915, 203.332, -3.269), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2550, " CD " at (19.208, 201.859, -3.432), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2551, "OE1 " at (18.604, 201.010, -2.766), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2552, "NE2 " at (20.149, 201.550, -4.274), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2553, "HE22" at (20.396, 200.562, -4.430), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2554, "HE21" at (20.647, 202.293, -4.785), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2555, " H " at (19.694, 204.814, 0.393), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2556, " C " at (14.697, 207.079, -2.033), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2557, " O " at (13.480, 206.930, -1.926), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2558, " CA " at (15.476, 206.229, -3.018), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2559, " N " at (16.892, 206.073, -2.717), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2560, " H " at (17.582, 206.515, -3.341), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2561, " C " at (13.801, 209.755, -0.982), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2562, " O " at (14.136, 210.200, -2.101), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2563, " CA " at (14.760, 208.813, -0.273), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2564, " N " at (15.390, 207.938, -1.277), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2565, " CB " at (15.834, 209.674, 0.389), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2566, " CG " at (15.495, 210.054, 1.825), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2567, "OD1 " at (14.388, 209.742, 2.276), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2568, "OD2 " at (16.363, 210.637, 2.502), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2569, " H " at (16.411, 207.990, -1.403), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2570, " C " at (-18.081, 203.180, 11.623), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2571, " O " at (-17.186, 203.958, 11.952), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2572, " CA " at (-17.739, 201.703, 11.363), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2573, " N " at (-18.878, 200.796, 11.286), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2574, " CB " at (-16.884, 201.590, 10.100), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2575, " CG " at (-15.771, 200.562, 10.207), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2576, " SD " at (-14.217, 201.160, 9.508), was assigned atom type "SA" (rec_index= 5, atom_type= 5). | |
| Atom no. 2577, " CE " at (-13.383, 201.883, 10.925), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2578, " H " at (-19.826, 201.199, 11.289), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2579, " C " at (-19.352, 205.378, 13.200), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2580, " O " at (-18.826, 206.488, 13.351), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2581, " CA " at (-19.843, 204.916, 11.834), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2582, " N " at (-19.354, 203.563, 11.466), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2583, " CB " at (-21.385, 204.956, 11.882), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2584, " CG " at (-22.011, 205.459, 10.595), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2585, "OD1 " at (-21.267, 205.812, 9.660), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2586, "OD2 " at (-23.263, 205.508, 10.532), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2587, " H " at (-20.025, 202.888, 11.072), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2588, " C " at (-17.971, 204.381, 16.056), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2589, " O " at (-17.736, 204.381, 17.263), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2590, " CA " at (-19.335, 204.817, 15.583), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2591, " N " at (-19.565, 204.509, 14.186), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2592, " CB " at (-20.419, 204.147, 16.422), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2593, " CG " at (-21.794, 204.594, 16.014), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2594, "OD1 " at (-21.865, 205.509, 15.175), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2595, "OD2 " at (-22.800, 204.048, 16.500), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2596, " H " at (-19.911, 203.570, 13.943), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2597, " C " at (-14.950, 204.954, 16.038), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2598, " O " at (-14.942, 205.982, 15.370), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2599, " CA " at (-15.680, 203.697, 15.549), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2600, " N " at (-17.064, 204.026, 15.138), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2601, " CB " at (-14.836, 203.042, 14.435), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2602, "CG1 " at (-13.386, 202.897, 14.871), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2603, "CG2 " at (-15.407, 201.674, 14.080), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2604, " H " at (-17.329, 203.982, 14.144), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2605, " C " at (-12.238, 205.443, 18.143), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2606, " O " at (-12.168, 204.450, 18.857), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2607, " CA " at (-13.595, 205.990, 17.732), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2608, " N " at (-14.323, 204.866, 17.198), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2609, " CB " at (-14.328, 206.609, 18.944), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2610, "CG1 " at (-13.601, 207.844, 19.447), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2611, "CG2 " at (-15.762, 206.963, 18.591), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2612, " H " at (-14.355, 203.983, 17.727), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2613, " C " at (-9.745, 206.231, 19.642), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2614, " O " at (-10.374, 207.213, 20.085), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2615, " CA " at (-9.850, 205.820, 18.176), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2616, " N " at (-11.183, 206.088, 17.691), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2617, " CB " at (-8.813, 206.590, 17.384), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2618, " CG " at (-7.405, 206.269, 17.823), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2619, "OD1 " at (-6.882, 205.206, 17.404), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2620, "OD2 " at (-6.798, 207.052, 18.612), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2621, " H " at (-11.313, 206.808, 16.967), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2622, " C " at (-8.241, 207.130, 22.107), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2623, " O " at (-8.552, 207.706, 23.106), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2624, " CA " at (-8.849, 205.740, 21.826), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2625, " N " at (-8.968, 205.473, 20.401), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2626, " CB " at (-8.059, 204.639, 22.528), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2627, " H " at (-8.446, 204.691, 19.980), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2628, " C " at (-8.196, 210.136, 21.343), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2629, " O " at (-8.009, 211.275, 21.790), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2630, " CA " at (-7.031, 209.105, 21.385), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2631, " N " at (-7.468, 207.702, 21.194), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2632, " CB " at (-5.904, 209.476, 20.400), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2633, " CG " at (-4.568, 208.786, 20.742), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2634, "OD1 " at (-4.394, 208.437, 21.913), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2635, "OD2 " at (-3.725, 208.536, 19.848), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2636, " H " at (-7.174, 207.176, 20.359), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2637, " C " at (-11.628, 210.141, 21.851), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2638, " O " at (-12.759, 210.624, 21.855), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2639, " CA " at (-10.557, 210.634, 20.856), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2640, " N " at (-9.370, 209.757, 20.822), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2641, " CB " at (-11.143, 210.812, 19.452), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2642, " CG " at (-10.320, 211.776, 18.567), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2643, " CD " at (-9.049, 211.148, 18.024), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2644, "OE1 " at (-7.935, 211.682, 18.199), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2645, "OE2 " at (-9.160, 210.083, 17.394), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2646, " H " at (-9.447, 208.827, 20.385), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2647, " C " at (-11.549, 208.982, 25.093), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2648, " O " at (-10.676, 208.272, 25.647), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2649, " CA " at (-12.141, 208.619, 23.715), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2650, " N " at (-11.261, 209.172, 22.690), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2651, " CB " at (-12.308, 207.098, 23.607), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2652, " CG " at (-13.301, 206.628, 24.603), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2653, "CD1 " at (-14.650, 206.777, 24.359), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2654, "CD2 " at (-12.900, 206.088, 25.827), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2655, "CE1 " at (-15.601, 206.384, 25.294), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2656, "CE2 " at (-13.831, 205.710, 26.791), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2657, " CZ " at (-15.170, 205.856, 26.520), was assigned atom type "A" (rec_index= 0, atom_type= 0). | |
| Atom no. 2658, " OH " at (-16.102, 205.465, 27.440), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2659, " HH " at (-15.812, 205.091, 28.310), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2660, " H " at (-10.306, 208.794, 22.611), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2661, " C " at (-12.143, 210.207, 28.079), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2662, " O " at (-13.342, 210.313, 28.135), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2663, " CA " at (-11.365, 210.606, 26.843), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2664, " N " at (-12.015, 210.096, 25.650), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2665, " CB " at (-11.116, 212.102, 26.728), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2666, " CG " at (-9.811, 212.193, 25.924), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2667, "CD1 " at (-10.002, 213.020, 24.673), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2668, "CD2 " at (-8.587, 212.608, 26.739), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2669, " H " at (-12.823, 210.588, 25.242), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2670, " C " at (-11.570, 210.219, 31.345), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2671, " O " at (-10.365, 210.539, 31.487), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2672, " CA " at (-11.951, 209.166, 30.285), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2673, " N " at (-11.406, 209.685, 29.045), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2674, " CB " at (-11.337, 207.764, 30.592), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2675, "CG2 " at (-11.611, 207.335, 32.033), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2676, "CG1 " at (-11.898, 206.713, 29.603), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2677, "CD1 " at (-11.070, 205.442, 29.485), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2678, " H " at (-10.386, 209.645, 28.909), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2679, " C " at (-11.187, 211.259, 34.107), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2680, " O " at (-11.017, 210.030, 34.270), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2681, " CA " at (-12.279, 211.753, 33.141), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2682, " N " at (-12.573, 210.766, 32.069), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2683, " CB " at (-13.625, 211.918, 33.880), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2684, " CG " at (-14.669, 211.449, 32.910), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2685, " CD " at (-14.011, 210.411, 32.022), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2686, " C " at (-9.464, 212.641, 36.960), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2687, " O " at (-10.566, 213.010, 37.368), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2688, " CA " at (-9.331, 211.941, 35.613), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2689, " N " at (-10.467, 212.214, 34.713), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2690, " CB " at (-8.041, 212.380, 34.944), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2691, " CG " at (-7.706, 211.552, 33.712), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2692, " CD " at (-6.462, 212.039, 32.983), was assigned atom type "C" (rec_index= 1, atom_type= 1). | |
| Atom no. 2693, "OE1 " at (-5.819, 213.069, 33.527), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2694, "NE2 " at (-6.082, 211.496, 31.944), was assigned atom type "N" (rec_index= 4, atom_type= 4). | |
| Atom no. 2695, "HE22" at (-5.238, 211.838, 31.463), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2696, "HE21" at (-6.609, 210.700, 31.557), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2697, " H " at (-10.722, 213.197, 34.540), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2698, " OW " at (-6.637, 212.602, 23.294), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2699, "HW1 " at (-6.637, 212.602, 24.284), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2700, "HW2 " at (-6.637, 213.535, 22.964), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2701, " OW " at (36.576, 202.446, 22.668), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2702, "HW1 " at (36.576, 202.446, 23.658), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2703, "HW2 " at (36.576, 203.379, 22.338), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2704, " OW " at (20.693, 222.103, 3.317), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2705, "HW1 " at (20.693, 222.103, 4.307), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2706, "HW2 " at (20.693, 223.036, 2.987), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2707, " OW " at (18.564, 221.549, 10.294), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2708, "HW1 " at (18.564, 221.549, 11.284), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2709, "HW2 " at (18.564, 222.482, 9.964), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2710, " OW " at (19.181, 209.889, -1.115), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2711, "HW1 " at (19.181, 209.889, -0.125), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2712, "HW2 " at (19.181, 210.822, -1.445), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2713, " OW " at (20.626, 219.673, 22.425), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2714, "HW1 " at (20.626, 219.673, 23.415), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2715, "HW2 " at (20.626, 220.606, 22.095), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2716, " OW " at (7.674, 214.978, 44.839), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2717, "HW1 " at (7.674, 214.978, 45.829), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2718, "HW2 " at (7.674, 215.911, 44.509), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2719, " OW " at (-0.592, 214.550, 43.115), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2720, "HW1 " at (-0.592, 214.550, 44.105), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2721, "HW2 " at (-0.592, 215.483, 42.785), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2722, " OW " at (12.996, 213.247, 36.837), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2723, "HW1 " at (12.996, 213.247, 37.827), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2724, "HW2 " at (12.996, 214.180, 36.507), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2725, " OW " at (25.014, 220.185, 11.742), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2726, "HW1 " at (25.014, 220.185, 12.732), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2727, "HW2 " at (25.014, 221.118, 11.412), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2728, " OW " at (-11.394, 203.581, 39.350), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2729, "HW1 " at (-11.394, 203.581, 40.340), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2730, "HW2 " at (-11.394, 204.514, 39.020), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2731, " OW " at (-2.744, 214.582, 41.891), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2732, "HW1 " at (-2.744, 214.582, 42.881), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2733, "HW2 " at (-2.744, 215.515, 41.561), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2734, " OW " at (32.377, 201.886, 15.029), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2735, "HW1 " at (32.377, 201.886, 16.019), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2736, "HW2 " at (32.377, 202.819, 14.699), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2737, " OW " at (21.208, 222.056, 7.537), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2738, "HW1 " at (21.208, 222.056, 8.527), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2739, "HW2 " at (21.208, 222.989, 7.207), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2740, " OW " at (21.048, 221.507, 10.210), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2741, "HW1 " at (21.048, 221.507, 11.200), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2742, "HW2 " at (21.048, 222.440, 9.880), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2743, " OW " at (8.437, 209.141, 43.178), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2744, "HW1 " at (8.437, 209.141, 44.168), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2745, "HW2 " at (8.437, 210.074, 42.848), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2746, " OW " at (9.421, 204.261, 44.167), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2747, "HW1 " at (9.421, 204.261, 45.157), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2748, "HW2 " at (9.421, 205.194, 43.837), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2749, " OW " at (27.641, 219.241, 10.964), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2750, "HW1 " at (27.641, 219.241, 11.954), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2751, "HW2 " at (27.641, 220.174, 10.634), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2752, " OW " at (13.023, 216.833, 31.247), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2753, "HW1 " at (13.023, 216.833, 32.237), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2754, "HW2 " at (13.023, 217.766, 30.917), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2755, " OW " at (9.986, 218.209, 30.074), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2756, "HW1 " at (9.986, 218.209, 31.064), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2757, "HW2 " at (9.986, 219.142, 29.744), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2758, " OW " at (13.681, 219.236, 24.270), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2759, "HW1 " at (13.681, 219.236, 25.260), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2760, "HW2 " at (13.681, 220.169, 23.940), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2761, " OW " at (-11.307, 208.715, 16.402), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2762, "HW1 " at (-11.307, 208.715, 17.392), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2763, "HW2 " at (-11.307, 209.648, 16.072), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2764, " OW " at (26.087, 215.596, 7.895), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2765, "HW1 " at (26.087, 215.596, 8.885), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2766, "HW2 " at (26.087, 216.529, 7.565), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2767, " OW " at (2.025, 214.527, 28.718), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2768, "HW1 " at (2.025, 214.527, 29.708), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2769, "HW2 " at (2.025, 215.460, 28.388), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2770, " OW " at (17.189, 217.515, 3.269), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2771, "HW1 " at (17.189, 217.515, 4.259), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2772, "HW2 " at (17.189, 218.448, 2.939), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2773, " OW " at (20.653, 218.823, 2.382), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2774, "HW1 " at (20.653, 218.823, 3.372), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2775, "HW2 " at (20.653, 219.756, 2.052), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2776, " OW " at (21.559, 212.667, 1.146), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2777, "HW1 " at (21.559, 212.667, 2.136), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2778, "HW2 " at (21.559, 213.600, 0.816), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2779, " OW " at (26.639, 218.042, 7.052), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2780, "HW1 " at (26.639, 218.042, 8.042), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2781, "HW2 " at (26.639, 218.975, 6.722), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2782, " OW " at (7.364, 215.063, 17.379), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2783, "HW1 " at (7.364, 215.063, 18.369), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2784, "HW2 " at (7.364, 215.996, 17.049), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2785, " OW " at (28.250, 219.558, 8.412), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2786, "HW1 " at (28.250, 219.558, 9.402), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2787, "HW2 " at (28.250, 220.491, 8.082), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2788, " OW " at (26.831, 224.215, 9.187), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2789, "HW1 " at (26.831, 224.215, 10.177), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2790, "HW2 " at (26.831, 225.148, 8.857), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2791, " OW " at (33.184, 206.505, 27.385), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2792, "HW1 " at (33.184, 206.505, 28.375), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2793, "HW2 " at (33.184, 207.438, 27.055), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2794, " OW " at (-13.798, 201.232, 37.041), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2795, "HW1 " at (-13.798, 201.232, 38.031), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2796, "HW2 " at (-13.798, 202.165, 36.711), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2797, " OW " at (31.833, 201.825, 12.458), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2798, "HW1 " at (31.833, 201.825, 13.448), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2799, "HW2 " at (31.833, 202.758, 12.128), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2800, " OW " at (32.813, 208.412, 29.506), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2801, "HW1 " at (32.813, 208.412, 30.496), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2802, "HW2 " at (32.813, 209.345, 29.176), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2803, " OW " at (28.380, 205.303, 7.298), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2804, "HW1 " at (28.380, 205.303, 8.288), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2805, "HW2 " at (28.380, 206.236, 6.968), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2806, " OW " at (14.552, 213.209, -2.773), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2807, "HW1 " at (14.552, 213.209, -1.783), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2808, "HW2 " at (14.552, 214.142, -3.103), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2809, " OW " at (19.444, 206.938, -4.524), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2810, "HW1 " at (19.444, 206.938, -3.534), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2811, "HW2 " at (19.444, 207.871, -4.854), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2812, " OW " at (6.969, 215.657, 28.844), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2813, "HW1 " at (6.969, 215.657, 29.834), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2814, "HW2 " at (6.969, 216.590, 28.514), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2815, " OW " at (2.104, 216.513, 25.467), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2816, "HW1 " at (2.104, 216.513, 26.457), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2817, "HW2 " at (2.104, 217.446, 25.137), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2818, " OW " at (0.000, 215.563, 26.924), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2819, "HW1 " at (0.000, 215.563, 27.914), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2820, "HW2 " at (0.000, 216.496, 26.594), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2821, " OW " at (4.991, 202.695, 42.503), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2822, "HW1 " at (4.991, 202.695, 43.493), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2823, "HW2 " at (4.991, 203.628, 42.173), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2824, " OW " at (6.950, 215.995, 24.520), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2825, "HW1 " at (6.950, 215.995, 25.510), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2826, "HW2 " at (6.950, 216.928, 24.190), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2827, " OW " at (15.876, 221.070, 50.066), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2828, "HW1 " at (15.876, 221.070, 51.056), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2829, "HW2 " at (15.876, 222.003, 49.736), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2830, " OW " at (1.171, 215.994, 20.706), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2831, "HW1 " at (1.171, 215.994, 21.696), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2832, "HW2 " at (1.171, 216.927, 20.376), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2833, " OW " at (5.287, 214.218, 23.864), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2834, "HW1 " at (5.287, 214.218, 24.854), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2835, "HW2 " at (5.287, 215.151, 23.534), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2836, " OW " at (8.521, 215.102, 26.561), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2837, "HW1 " at (8.521, 215.102, 27.551), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2838, "HW2 " at (8.521, 216.035, 26.231), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2839, " OW " at (15.377, 214.638, 29.646), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2840, "HW1 " at (15.377, 214.638, 30.636), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2841, "HW2 " at (15.377, 215.571, 29.316), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2842, " OW " at (14.069, 195.600, 19.540), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2843, "HW1 " at (14.069, 195.600, 20.530), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2844, "HW2 " at (14.069, 196.533, 19.210), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2845, " OW " at (24.280, 197.718, 24.017), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2846, "HW1 " at (24.280, 197.718, 25.007), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2847, "HW2 " at (24.280, 198.651, 23.687), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2848, " OW " at (13.663, 207.254, 32.009), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2849, "HW1 " at (13.663, 207.254, 32.999), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2850, "HW2 " at (13.663, 208.187, 31.679), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2851, " OW " at (24.688, 196.255, 26.186), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2852, "HW1 " at (24.688, 196.255, 27.176), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2853, "HW2 " at (24.688, 197.188, 25.856), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2854, " OW " at (17.841, 212.012, 30.070), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2855, "HW1 " at (17.841, 212.012, 31.060), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2856, "HW2 " at (17.841, 212.945, 29.740), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2857, " OW " at (15.835, 200.836, 28.777), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2858, "HW1 " at (15.835, 200.836, 29.767), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2859, "HW2 " at (15.835, 201.769, 28.447), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2860, " OW " at (9.515, 197.987, 31.040), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2861, "HW1 " at (9.515, 197.987, 32.030), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2862, "HW2 " at (9.515, 198.920, 30.710), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2863, " OW " at (20.671, 199.397, 31.152), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2864, "HW1 " at (20.671, 199.397, 32.142), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2865, "HW2 " at (20.671, 200.330, 30.822), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2866, " OW " at (15.770, 196.696, 26.129), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2867, "HW1 " at (15.770, 196.696, 27.119), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2868, "HW2 " at (15.770, 197.629, 25.799), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2869, " OW " at (16.948, 194.373, 16.322), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2870, "HW1 " at (16.948, 194.373, 17.312), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2871, "HW2 " at (16.948, 195.306, 15.992), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2872, " OW " at (22.180, 201.922, 7.384), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2873, "HW1 " at (22.180, 201.922, 8.374), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2874, "HW2 " at (22.180, 202.855, 7.054), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2875, " OW " at (17.661, 201.600, 31.971), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2876, "HW1 " at (17.661, 201.600, 32.961), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2877, "HW2 " at (17.661, 202.533, 31.641), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2878, " OW " at (16.845, 200.326, 44.380), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2879, "HW1 " at (16.845, 200.326, 45.370), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2880, "HW2 " at (16.845, 201.259, 44.050), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2881, " OW " at (8.322, 201.169, 40.767), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2882, "HW1 " at (8.322, 201.169, 41.757), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2883, "HW2 " at (8.322, 202.102, 40.437), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2884, " OW " at (13.806, 210.829, 38.348), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2885, "HW1 " at (13.806, 210.829, 39.338), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2886, "HW2 " at (13.806, 211.762, 38.018), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2887, " OW " at (4.552, 199.780, 39.239), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2888, "HW1 " at (4.552, 199.780, 40.229), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2889, "HW2 " at (4.552, 200.713, 38.909), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2890, " OW " at (14.060, 210.895, 41.083), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2891, "HW1 " at (14.060, 210.895, 42.073), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2892, "HW2 " at (14.060, 211.828, 40.753), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2893, " OW " at (18.974, 210.642, 1.850), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2894, "HW1 " at (18.974, 210.642, 2.840), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2895, "HW2 " at (18.974, 211.575, 1.520), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2896, " OW " at (27.171, 199.870, 21.346), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2897, "HW1 " at (27.171, 199.870, 22.336), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2898, "HW2 " at (27.171, 200.803, 21.016), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2899, " OW " at (-2.237, 212.290, 40.435), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2900, "HW1 " at (-2.237, 212.290, 41.425), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2901, "HW2 " at (-2.237, 213.223, 40.105), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2902, " OW " at (25.852, 215.260, 16.290), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2903, "HW1 " at (25.852, 215.260, 17.280), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2904, "HW2 " at (25.852, 216.193, 15.960), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2905, " OW " at (3.203, 215.804, 22.861), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2906, "HW1 " at (3.203, 215.804, 23.851), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2907, "HW2 " at (3.203, 216.737, 22.531), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2908, " OW " at (28.508, 206.273, 35.100), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2909, "HW1 " at (28.508, 206.273, 36.090), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2910, "HW2 " at (28.508, 207.206, 34.770), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2911, " OW " at (18.216, 208.458, 37.227), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2912, "HW1 " at (18.216, 208.458, 38.217), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2913, "HW2 " at (18.216, 209.391, 36.897), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2914, " OW " at (16.371, 192.175, 17.667), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2915, "HW1 " at (16.371, 192.175, 18.657), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2916, "HW2 " at (16.371, 193.108, 17.337), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2917, " OW " at (15.749, 213.614, 35.786), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2918, "HW1 " at (15.749, 213.614, 36.776), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2919, "HW2 " at (15.749, 214.547, 35.456), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2920, " OW " at (9.523, 194.971, 29.573), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2921, "HW1 " at (9.523, 194.971, 30.563), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2922, "HW2 " at (9.523, 195.904, 29.243), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2923, " OW " at (26.550, 194.838, 15.330), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2924, "HW1 " at (26.550, 194.838, 16.320), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2925, "HW2 " at (26.550, 195.771, 15.000), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2926, " OW " at (22.804, 192.988, 35.437), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2927, "HW1 " at (22.804, 192.988, 36.427), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2928, "HW2 " at (22.804, 193.921, 35.107), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2929, " OW " at (-0.496, 209.455, 37.803), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2930, "HW1 " at (-0.496, 209.455, 38.793), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2931, "HW2 " at (-0.496, 210.388, 37.473), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2932, " OW " at (3.184, 197.677, 29.283), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2933, "HW1 " at (3.184, 197.677, 30.273), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2934, "HW2 " at (3.184, 198.610, 28.953), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2935, " OW " at (14.335, 192.748, 19.452), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2936, "HW1 " at (14.335, 192.748, 20.442), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2937, "HW2 " at (14.335, 193.681, 19.122), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2938, " OW " at (-6.714, 208.873, 35.987), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2939, "HW1 " at (-6.714, 208.873, 36.977), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2940, "HW2 " at (-6.714, 209.806, 35.657), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2941, " OW " at (7.056, 199.150, 38.933), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2942, "HW1 " at (7.056, 199.150, 39.923), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2943, "HW2 " at (7.056, 200.083, 38.603), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2944, " OW " at (18.303, 190.657, 18.963), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2945, "HW1 " at (18.303, 190.657, 19.953), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2946, "HW2 " at (18.303, 191.590, 18.633), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2947, " OW " at (29.093, 202.753, 32.425), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2948, "HW1 " at (29.093, 202.753, 33.415), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2949, "HW2 " at (29.093, 203.686, 32.095), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2950, " OW " at (20.126, 193.960, 36.374), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2951, "HW1 " at (20.126, 193.960, 37.364), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2952, "HW2 " at (20.126, 194.893, 36.044), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2953, " OW " at (1.749, 211.835, 41.464), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2954, "HW1 " at (1.749, 211.835, 42.454), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2955, "HW2 " at (1.749, 212.768, 41.134), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2956, " OW " at (1.181, 213.020, 33.090), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2957, "HW1 " at (1.181, 213.020, 34.080), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2958, "HW2 " at (1.181, 213.953, 32.760), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2959, " OW " at (15.660, 193.044, 36.879), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2960, "HW1 " at (15.660, 193.044, 37.869), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2961, "HW2 " at (15.660, 193.977, 36.549), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2962, " OW " at (29.053, 194.839, 16.255), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2963, "HW1 " at (29.053, 194.839, 17.245), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2964, "HW2 " at (29.053, 195.772, 15.925), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2965, " OW " at (-8.181, 202.800, 19.546), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2966, "HW1 " at (-8.181, 202.800, 20.536), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2967, "HW2 " at (-8.181, 203.733, 19.216), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2968, " OW " at (-0.330, 207.910, 27.477), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2969, "HW1 " at (-0.330, 207.910, 28.467), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2970, "HW2 " at (-0.330, 208.843, 27.147), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2971, " OW " at (-6.823, 209.113, 16.536), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2972, "HW1 " at (-6.823, 209.113, 17.526), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2973, "HW2 " at (-6.823, 210.046, 16.206), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2974, " OW " at (-9.494, 205.570, 34.186), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2975, "HW1 " at (-9.494, 205.570, 35.176), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2976, "HW2 " at (-9.494, 206.503, 33.856), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2977, " OW " at (-4.701, 203.290, 25.517), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2978, "HW1 " at (-4.701, 203.290, 26.507), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2979, "HW2 " at (-4.701, 204.223, 25.187), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2980, " OW " at (-7.333, 202.471, 33.959), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2981, "HW1 " at (-7.333, 202.471, 34.949), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2982, "HW2 " at (-7.333, 203.404, 33.629), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2983, " OW " at (-1.032, 208.398, 24.228), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2984, "HW1 " at (-1.032, 208.398, 25.218), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2985, "HW2 " at (-1.032, 209.331, 23.898), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2986, " OW " at (21.413, 218.231, 15.836), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2987, "HW1 " at (21.413, 218.231, 16.826), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2988, "HW2 " at (21.413, 219.164, 15.506), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2989, " OW " at (-2.145, 210.424, 15.642), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2990, "HW1 " at (-2.145, 210.424, 16.632), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2991, "HW2 " at (-2.145, 211.357, 15.312), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2992, " OW " at (20.683, 191.434, 11.874), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2993, "HW1 " at (20.683, 191.434, 12.864), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2994, "HW2 " at (20.683, 192.367, 11.544), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2995, " OW " at (21.397, 190.372, 18.685), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2996, "HW1 " at (21.397, 190.372, 19.675), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2997, "HW2 " at (21.397, 191.305, 18.355), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 2998, " OW " at (-1.497, 201.265, 23.343), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 2999, "HW1 " at (-1.497, 201.265, 24.333), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3000, "HW2 " at (-1.497, 202.198, 23.013), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3001, " OW " at (31.042, 189.148, 28.802), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3002, "HW1 " at (31.042, 189.148, 29.792), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3003, "HW2 " at (31.042, 190.081, 28.472), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3004, " OW " at (-11.896, 205.551, 34.720), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3005, "HW1 " at (-11.896, 205.551, 35.710), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3006, "HW2 " at (-11.896, 206.484, 34.390), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3007, " OW " at (5.100, 196.174, 12.707), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3008, "HW1 " at (5.100, 196.174, 13.697), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3009, "HW2 " at (5.100, 197.107, 12.377), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3010, " OW " at (27.477, 190.171, 29.054), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3011, "HW1 " at (27.477, 190.171, 30.044), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3012, "HW2 " at (27.477, 191.104, 28.724), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3013, " OW " at (20.068, 209.597, 35.471), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3014, "HW1 " at (20.068, 209.597, 36.461), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3015, "HW2 " at (20.068, 210.530, 35.141), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3016, " OW " at (23.067, 204.595, 35.047), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3017, "HW1 " at (23.067, 204.595, 36.037), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3018, "HW2 " at (23.067, 205.528, 34.717), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3019, " OW " at (-2.716, 209.130, 26.838), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3020, "HW1 " at (-2.716, 209.130, 27.828), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3021, "HW2 " at (-2.716, 210.063, 26.508), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3022, " OW " at (-8.981, 204.426, 31.838), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3023, "HW1 " at (-8.981, 204.426, 32.828), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3024, "HW2 " at (-8.981, 205.359, 31.508), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3025, " OW " at (27.022, 188.983, 31.420), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3026, "HW1 " at (27.022, 188.983, 32.410), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3027, "HW2 " at (27.022, 189.916, 31.090), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3028, " OW " at (14.896, 190.069, 16.199), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3029, "HW1 " at (14.896, 190.069, 17.189), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3030, "HW2 " at (14.896, 191.002, 15.869), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3031, " OW " at (11.131, 197.149, 42.864), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3032, "HW1 " at (11.131, 197.149, 43.854), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3033, "HW2 " at (11.131, 198.082, 42.534), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3034, " OW " at (28.105, 199.393, 9.814), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3035, "HW1 " at (28.105, 199.393, 10.804), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3036, "HW2 " at (28.105, 200.326, 9.484), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3037, " OW " at (6.915, 211.275, 9.639), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3038, "HW1 " at (6.915, 211.275, 10.629), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3039, "HW2 " at (6.915, 212.208, 9.309), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3040, " OW " at (-13.078, 208.325, 34.882), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3041, "HW1 " at (-13.078, 208.325, 35.872), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3042, "HW2 " at (-13.078, 209.258, 34.552), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3043, " OW " at (16.899, 210.513, 38.721), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3044, "HW1 " at (16.899, 210.513, 39.711), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3045, "HW2 " at (16.899, 211.446, 38.391), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3046, " OW " at (-5.406, 205.801, 34.488), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3047, "HW1 " at (-5.406, 205.801, 35.478), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3048, "HW2 " at (-5.406, 206.734, 34.158), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3049, " OW " at (28.295, 194.846, 41.457), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3050, "HW1 " at (28.295, 194.846, 42.447), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3051, "HW2 " at (28.295, 195.779, 41.127), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3052, " OW " at (11.312, 193.181, 25.794), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3053, "HW1 " at (11.312, 193.181, 26.784), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3054, "HW2 " at (11.312, 194.114, 25.464), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3055, " OW " at (0.479, 199.044, 24.287), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3056, "HW1 " at (0.479, 199.044, 25.277), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3057, "HW2 " at (0.479, 199.977, 23.957), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3058, " OW " at (22.851, 213.008, 34.151), was assigned atom type "OA" (rec_index= 3, atom_type= 3). | |
| Atom no. 3059, "HW1 " at (22.851, 213.008, 35.141), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Atom no. 3060, "HW2 " at (22.851, 213.941, 33.821), was assigned atom type "HD" (rec_index= 6, atom_type= 6). | |
| Maximum partial atomic charge found = +0.345 e | |
| Minimum partial atomic charge found = -0.549 e | |
| Atom Atom Number of this Type | |
| Type ID in Receptor | |
| ____ ____ ___________________ | |
| 0 A 177 | |
| 1 C 1265 | |
| 2 NA 7 | |
| 3 OA 523 | |
| 4 N 366 | |
| 5 SA 16 | |
| 6 HD 706 | |
| Total number of atoms : 3060 atoms | |
| Total charge : -6.21 e | |
| Receptor coordinates fit within the following volume: | |
| _______(39.3, 225.1, 52.1) | |
| /| /| | |
| / | / | | |
| /______/ | | |
| | |___|__| Midpoint = (7.4, 202.8, 23.6) | |
| | / | / | |
| | / | / | |
| |/_____|/ | |
| (-24.6, 180.5, -4.9) | |
| Maximum coordinates : (39.345, 225.148, 52.080) | |
| Minimum coordinates : (-24.583, 180.481, -4.854) | |
| GPF> gridcenter 7.375 194.927 16.540 # xyz-coordinates or auto | |
| Grid maps will be centered on user-defined coordinates: | |
| (7.375, 194.927, 16.540) | |
| Grid maps will cover the following volume: | |
| _______(19.4, 206.9, 28.5) | |
| /| /| | |
| / | / | | |
| /______/ | | |
| | |___|__| Midpoint = (7.4, 194.9, 16.5) | |
| | / | / | |
| | / | / | |
| |/_____|/ | |
| (-4.6, 182.9, 4.5) | |
| Grid map x-dimension : 24.0 Angstroms | |
| Grid map y-dimension : 24.0 Angstroms | |
| Grid map z-dimension : 24.0 Angstroms | |
| Maximum coordinates : (19.375, 206.927, 28.540) | |
| Minimum coordinates : (-4.625, 182.927, 4.540) | |
| GPF> smooth 0.5 # store minimum energy w/in rad(A) | |
| Potentials will be smoothed by: 0.500 Angstrom | |
| GPF> map 4WKQ_receptor.A.map # atom-specific affinity map | |
| Output Grid Map 1: 4WKQ_receptor.A.map | |
| GPF> map 4WKQ_receptor.C.map # atom-specific affinity map | |
| Output Grid Map 2: 4WKQ_receptor.C.map | |
| GPF> map 4WKQ_receptor.F.map # atom-specific affinity map | |
| Output Grid Map 3: 4WKQ_receptor.F.map | |
| GPF> map 4WKQ_receptor.N.map # atom-specific affinity map | |
| Output Grid Map 4: 4WKQ_receptor.N.map | |
| GPF> map 4WKQ_receptor.NA.map # atom-specific affinity map | |
| Output Grid Map 5: 4WKQ_receptor.NA.map | |
| GPF> map 4WKQ_receptor.Cl.map # atom-specific affinity map | |
| Output Grid Map 6: 4WKQ_receptor.Cl.map | |
| GPF> map 4WKQ_receptor.OA.map # atom-specific affinity map | |
| Output Grid Map 7: 4WKQ_receptor.OA.map | |
| GPF> map 4WKQ_receptor.HD.map # atom-specific affinity map | |
| Output Grid Map 8: 4WKQ_receptor.HD.map | |
| GPF> map 4WKQ_receptor.S.map # atom-specific affinity map | |
| Output Grid Map 9: 4WKQ_receptor.S.map | |
| GPF> map 4WKQ_receptor.Br.map # atom-specific affinity map | |
| Output Grid Map 10: 4WKQ_receptor.Br.map | |
| GPF> map 4WKQ_receptor.SA.map # atom-specific affinity map | |
| Output Grid Map 11: 4WKQ_receptor.SA.map | |
| GPF> elecmap 4WKQ_receptor.e.map # electrostatic potential map | |
| Output Electrostatic Potential Energy Grid Map: 4WKQ_receptor.e.map | |
| GPF> dsolvmap 4WKQ_receptor.d.map # desolvation potential map | |
| Output Desolvation Free Energy Grid Map: 4WKQ_receptor.d.map | |
| GPF> dielectric -0.1465 # <0, AD4 distance-dep.diel;>0, constant | |
| Using *distance-dependent* dielectric function of Mehler and Solmajer, Prot.Eng.4, 903-910. | |
| d Dielectric | |
| ___ __________ | |
| 0.0 1.00 | |
| 0.1 1.63 | |
| 0.2 1.91 | |
| 0.3 2.21 | |
| 0.4 2.51 | |
| 0.5 2.82 | |
| 0.6 3.13 | |
| 0.7 3.45 | |
| 0.8 3.78 | |
| 0.9 4.12 | |
| 1.0 4.47 | |
| 1.1 4.82 | |
| 1.2 5.18 | |
| 1.3 5.55 | |
| 1.4 5.93 | |
| 1.5 6.31 | |
| 1.6 6.70 | |
| 1.7 7.10 | |
| 1.8 7.51 | |
| 1.9 7.93 | |
| 2.0 8.36 | |
| 2.1 8.79 | |
| 2.2 9.23 | |
| 2.3 9.68 | |
| 2.4 10.14 | |
| 2.5 10.61 | |
| 2.6 11.08 | |
| 2.7 11.57 | |
| 2.8 12.06 | |
| 2.9 12.56 | |
| 3.0 13.07 | |
| 3.1 13.58 | |
| 3.2 14.11 | |
| 3.3 14.64 | |
| 3.4 15.18 | |
| 3.5 15.73 | |
| 3.6 16.28 | |
| 3.7 16.85 | |
| 3.8 17.42 | |
| 3.9 18.00 | |
| 4.0 18.58 | |
| 4.1 19.17 | |
| 4.2 19.77 | |
| 4.3 20.38 | |
| 4.4 20.99 | |
| 4.5 21.61 | |
| 4.6 22.23 | |
| 4.7 22.86 | |
| 4.8 23.50 | |
| 4.9 24.14 | |
| 5.0 24.78 | |
| >>> Closing the grid parameter file (GPF)... <<< | |
| ________________________________________________________________________________ | |
| No Floating Grid was requested. | |
| Calculating Pairwise Interaction Energies | |
| ========================================= | |
| 418256.0 204.2 | |
| E = ----------- - ----------- | |
| A, A 12 6 | |
| r r | |
| Calculating energies for A-A interactions. | |
| 418256.0 204.2 | |
| E = ----------- - ----------- | |
| A, C 12 6 | |
| r r | |
| Calculating energies for A-C interactions. | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| A, NA 12 6 | |
| r r | |
| Calculating energies for A-NA interactions. | |
| 136402.3 125.3 | |
| E = ----------- - ----------- | |
| A, OA 12 6 | |
| r r | |
| Calculating energies for A-OA interactions. | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| A, N 12 6 | |
| r r | |
| Calculating energies for A-N interactions. | |
| 482960.4 235.8 | |
| E = ----------- - ----------- | |
| A, SA 12 6 | |
| r r | |
| Calculating energies for A-SA interactions. | |
| 4837.8 13.3 | |
| E = ----------- - ----------- | |
| A, HD 12 6 | |
| r r | |
| Calculating energies for A-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 33975.82 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8934.84 | |
| 0.8 1e+05 1e+05 1e+05 75860.38 1e+05 1e+05 2683.96 | |
| 0.9 78086.74 78086.74 37154.78 25440.38 37154.78 90166.80 898.48 | |
| 1.0 28688.80 28688.80 13645.79 9340.64 13645.79 33126.97 328.97 | |
| 1.1 11380.24 11380.24 5410.18 3701.64 5410.18 13140.77 129.83 | |
| 1.2 4820.04 4820.04 2289.72 1565.60 2289.72 5565.70 54.58 | |
| 1.3 2160.29 2160.29 1025.13 700.28 1025.13 2494.48 24.20 | |
| 1.4 1017.03 1017.03 481.90 328.77 481.90 1174.37 11.22 | |
| 1.5 499.86 499.86 236.37 160.97 236.37 577.19 5.40 | |
| 1.6 255.15 255.15 120.32 81.75 120.32 294.62 2.68 | |
| 1.7 134.65 134.65 63.27 42.84 63.27 155.48 1.36 | |
| 1.8 73.18 73.18 34.22 23.07 34.22 84.50 0.70 | |
| 1.9 40.81 40.81 18.96 12.71 18.96 47.12 0.36 | |
| 2.0 23.27 23.27 10.72 7.14 10.72 26.87 0.19 | |
| 2.1 13.53 13.53 6.17 4.06 6.17 15.63 0.09 | |
| 2.2 8.00 8.00 3.59 2.34 3.59 9.24 0.04 | |
| 2.3 4.79 4.79 2.11 1.35 2.11 5.53 0.02 | |
| 2.4 2.90 2.90 1.25 0.78 1.25 3.35 0.00 | |
| 2.5 1.76 1.76 0.73 0.44 0.73 2.04 -0.00 | |
| 2.6 1.08 1.08 0.43 0.24 0.43 1.24 -0.01 | |
| 2.7 0.65 0.65 0.24 0.12 0.24 0.75 -0.01 | |
| 2.8 0.39 0.39 0.13 0.05 0.13 0.45 -0.01 | |
| 2.9 0.23 0.23 0.06 0.01 0.06 0.26 -0.01 | |
| 3.0 0.13 0.13 0.02 -0.01 0.02 0.15 -0.01 | |
| 3.1 0.06 0.06 -0.00 -0.02 -0.00 0.07 -0.01 | |
| 3.2 0.03 0.03 -0.01 -0.03 -0.01 0.03 -0.01 | |
| 3.3 0.00 0.00 -0.02 -0.03 -0.02 0.00 -0.01 | |
| 3.4 -0.01 -0.01 -0.02 -0.03 -0.02 -0.01 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.6 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.0 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.1 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.8 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 33975.82 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8934.84 | |
| 0.8 1e+05 1e+05 1e+05 75860.38 1e+05 1e+05 2683.96 | |
| 0.9 78086.74 78086.74 37154.78 25440.38 37154.78 90166.80 898.48 | |
| 1.0 28688.80 28688.80 13645.79 9340.64 13645.79 33126.97 328.97 | |
| 1.1 11380.24 11380.24 5410.18 3701.64 5410.18 13140.77 129.83 | |
| 1.2 4820.04 4820.04 2289.72 1565.60 2289.72 5565.70 54.58 | |
| 1.3 2160.29 2160.29 1025.13 700.28 1025.13 2494.48 24.20 | |
| 1.4 1017.03 1017.03 481.90 328.77 481.90 1174.37 11.22 | |
| 1.5 499.86 499.86 236.37 160.97 236.37 577.19 5.40 | |
| 1.6 255.15 255.15 120.32 81.75 120.32 294.62 2.68 | |
| 1.7 134.65 134.65 63.27 42.84 63.27 155.48 1.36 | |
| 1.8 73.18 73.18 34.22 23.07 34.22 84.50 0.70 | |
| 1.9 40.81 40.81 18.96 12.71 18.96 47.12 0.36 | |
| 2.0 23.27 23.27 10.72 7.14 10.72 26.87 0.19 | |
| 2.1 13.53 13.53 6.17 4.06 6.17 15.63 0.09 | |
| 2.2 8.00 8.00 3.59 2.34 3.59 9.24 0.04 | |
| 2.3 4.79 4.79 2.11 1.35 2.11 5.53 0.02 | |
| 2.4 2.90 2.90 1.25 0.78 1.25 3.35 0.00 | |
| 2.5 1.76 1.76 0.73 0.44 0.73 2.04 -0.00 | |
| 2.6 1.08 1.08 0.43 0.24 0.43 1.24 -0.01 | |
| 2.7 0.65 0.65 0.24 0.12 0.24 0.75 -0.01 | |
| 2.8 0.39 0.39 0.13 0.05 0.13 0.45 -0.01 | |
| 2.9 0.23 0.23 0.06 0.01 0.06 0.26 -0.01 | |
| 3.0 0.13 0.13 0.02 -0.01 0.02 0.15 -0.01 | |
| 3.1 0.06 0.06 -0.00 -0.02 -0.00 0.07 -0.01 | |
| 3.2 0.03 0.03 -0.01 -0.03 -0.01 0.03 -0.01 | |
| 3.3 0.00 0.00 -0.02 -0.03 -0.02 0.00 -0.01 | |
| 3.4 -0.01 -0.01 -0.02 -0.03 -0.02 -0.01 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.6 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.0 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.1 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.8 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 418256.0 204.2 | |
| E = ----------- - ----------- | |
| C, A 12 6 | |
| r r | |
| Calculating energies for C-A interactions. | |
| 418256.0 204.2 | |
| E = ----------- - ----------- | |
| C, C 12 6 | |
| r r | |
| Calculating energies for C-C interactions. | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| C, NA 12 6 | |
| r r | |
| Calculating energies for C-NA interactions. | |
| 136402.3 125.3 | |
| E = ----------- - ----------- | |
| C, OA 12 6 | |
| r r | |
| Calculating energies for C-OA interactions. | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| C, N 12 6 | |
| r r | |
| Calculating energies for C-N interactions. | |
| 482960.4 235.8 | |
| E = ----------- - ----------- | |
| C, SA 12 6 | |
| r r | |
| Calculating energies for C-SA interactions. | |
| 4837.8 13.3 | |
| E = ----------- - ----------- | |
| C, HD 12 6 | |
| r r | |
| Calculating energies for C-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 33975.82 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8934.84 | |
| 0.8 1e+05 1e+05 1e+05 75860.38 1e+05 1e+05 2683.96 | |
| 0.9 78086.74 78086.74 37154.78 25440.38 37154.78 90166.80 898.48 | |
| 1.0 28688.80 28688.80 13645.79 9340.64 13645.79 33126.97 328.97 | |
| 1.1 11380.24 11380.24 5410.18 3701.64 5410.18 13140.77 129.83 | |
| 1.2 4820.04 4820.04 2289.72 1565.60 2289.72 5565.70 54.58 | |
| 1.3 2160.29 2160.29 1025.13 700.28 1025.13 2494.48 24.20 | |
| 1.4 1017.03 1017.03 481.90 328.77 481.90 1174.37 11.22 | |
| 1.5 499.86 499.86 236.37 160.97 236.37 577.19 5.40 | |
| 1.6 255.15 255.15 120.32 81.75 120.32 294.62 2.68 | |
| 1.7 134.65 134.65 63.27 42.84 63.27 155.48 1.36 | |
| 1.8 73.18 73.18 34.22 23.07 34.22 84.50 0.70 | |
| 1.9 40.81 40.81 18.96 12.71 18.96 47.12 0.36 | |
| 2.0 23.27 23.27 10.72 7.14 10.72 26.87 0.19 | |
| 2.1 13.53 13.53 6.17 4.06 6.17 15.63 0.09 | |
| 2.2 8.00 8.00 3.59 2.34 3.59 9.24 0.04 | |
| 2.3 4.79 4.79 2.11 1.35 2.11 5.53 0.02 | |
| 2.4 2.90 2.90 1.25 0.78 1.25 3.35 0.00 | |
| 2.5 1.76 1.76 0.73 0.44 0.73 2.04 -0.00 | |
| 2.6 1.08 1.08 0.43 0.24 0.43 1.24 -0.01 | |
| 2.7 0.65 0.65 0.24 0.12 0.24 0.75 -0.01 | |
| 2.8 0.39 0.39 0.13 0.05 0.13 0.45 -0.01 | |
| 2.9 0.23 0.23 0.06 0.01 0.06 0.26 -0.01 | |
| 3.0 0.13 0.13 0.02 -0.01 0.02 0.15 -0.01 | |
| 3.1 0.06 0.06 -0.00 -0.02 -0.00 0.07 -0.01 | |
| 3.2 0.03 0.03 -0.01 -0.03 -0.01 0.03 -0.01 | |
| 3.3 0.00 0.00 -0.02 -0.03 -0.02 0.00 -0.01 | |
| 3.4 -0.01 -0.01 -0.02 -0.03 -0.02 -0.01 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.6 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.0 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.1 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.8 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 33975.82 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8934.84 | |
| 0.8 1e+05 1e+05 1e+05 75860.38 1e+05 1e+05 2683.96 | |
| 0.9 78086.74 78086.74 37154.78 25440.38 37154.78 90166.80 898.48 | |
| 1.0 28688.80 28688.80 13645.79 9340.64 13645.79 33126.97 328.97 | |
| 1.1 11380.24 11380.24 5410.18 3701.64 5410.18 13140.77 129.83 | |
| 1.2 4820.04 4820.04 2289.72 1565.60 2289.72 5565.70 54.58 | |
| 1.3 2160.29 2160.29 1025.13 700.28 1025.13 2494.48 24.20 | |
| 1.4 1017.03 1017.03 481.90 328.77 481.90 1174.37 11.22 | |
| 1.5 499.86 499.86 236.37 160.97 236.37 577.19 5.40 | |
| 1.6 255.15 255.15 120.32 81.75 120.32 294.62 2.68 | |
| 1.7 134.65 134.65 63.27 42.84 63.27 155.48 1.36 | |
| 1.8 73.18 73.18 34.22 23.07 34.22 84.50 0.70 | |
| 1.9 40.81 40.81 18.96 12.71 18.96 47.12 0.36 | |
| 2.0 23.27 23.27 10.72 7.14 10.72 26.87 0.19 | |
| 2.1 13.53 13.53 6.17 4.06 6.17 15.63 0.09 | |
| 2.2 8.00 8.00 3.59 2.34 3.59 9.24 0.04 | |
| 2.3 4.79 4.79 2.11 1.35 2.11 5.53 0.02 | |
| 2.4 2.90 2.90 1.25 0.78 1.25 3.35 0.00 | |
| 2.5 1.76 1.76 0.73 0.44 0.73 2.04 -0.00 | |
| 2.6 1.08 1.08 0.43 0.24 0.43 1.24 -0.01 | |
| 2.7 0.65 0.65 0.24 0.12 0.24 0.75 -0.01 | |
| 2.8 0.39 0.39 0.13 0.05 0.13 0.45 -0.01 | |
| 2.9 0.23 0.23 0.06 0.01 0.06 0.26 -0.01 | |
| 3.0 0.13 0.13 0.02 -0.01 0.02 0.15 -0.01 | |
| 3.1 0.06 0.06 -0.00 -0.02 -0.00 0.07 -0.01 | |
| 3.2 0.03 0.03 -0.01 -0.03 -0.01 0.03 -0.01 | |
| 3.3 0.00 0.00 -0.02 -0.03 -0.02 0.00 -0.01 | |
| 3.4 -0.01 -0.01 -0.02 -0.03 -0.02 -0.01 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.6 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.0 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.1 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.8 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 71716.1 72.3 | |
| E = ----------- - ----------- | |
| F, A 12 6 | |
| r r | |
| Calculating energies for F-A interactions. | |
| 71716.1 72.3 | |
| E = ----------- - ----------- | |
| F, C 12 6 | |
| r r | |
| Calculating energies for F-C interactions. | |
| 30796.5 48.1 | |
| E = ----------- - ----------- | |
| F, NA 12 6 | |
| r r | |
| Calculating energies for F-NA interactions. | |
| 19685.2 40.7 | |
| E = ----------- - ----------- | |
| F, OA 12 6 | |
| r r | |
| Calculating energies for F-OA interactions. | |
| 30796.5 48.1 | |
| E = ----------- - ----------- | |
| F, N 12 6 | |
| r r | |
| Calculating energies for F-N interactions. | |
| 82810.6 83.4 | |
| E = ----------- - ----------- | |
| F, SA 12 6 | |
| r r | |
| Calculating energies for F-SA interactions. | |
| 490.8 3.6 | |
| E = ----------- - ----------- | |
| F, HD 12 6 | |
| r r | |
| Calculating energies for F-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 86246.81 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 15475.33 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 3441.20 | |
| 0.7 1e+05 1e+05 56927.04 36374.35 56927.04 1e+05 903.45 | |
| 0.8 39880.27 39880.27 17112.72 10931.07 17112.72 46049.77 270.62 | |
| 0.9 13373.00 13373.00 5735.27 3661.71 5735.27 15441.81 90.18 | |
| 1.0 4909.35 4909.35 2103.70 1342.09 2103.70 5668.82 32.78 | |
| 1.1 1945.15 1945.15 832.47 530.48 832.47 2246.07 12.80 | |
| 1.2 822.46 822.46 351.34 223.51 351.34 949.69 5.29 | |
| 1.3 367.73 367.73 156.68 99.43 156.68 424.61 2.29 | |
| 1.4 172.54 172.54 73.24 46.33 73.24 199.23 1.03 | |
| 1.5 84.41 84.41 35.65 22.44 35.65 97.47 0.47 | |
| 1.6 42.82 42.82 17.96 11.23 17.96 49.44 0.22 | |
| 1.7 22.41 22.41 9.31 5.77 9.31 25.88 0.10 | |
| 1.8 12.05 12.05 4.94 3.03 4.94 13.91 0.04 | |
| 1.9 6.62 6.62 2.67 1.61 2.67 7.64 0.01 | |
| 2.0 3.70 3.70 1.46 0.86 1.46 4.28 0.00 | |
| 2.1 2.10 2.10 0.80 0.45 0.80 2.42 -0.00 | |
| 2.2 1.20 1.20 0.44 0.23 0.44 1.38 -0.01 | |
| 2.3 0.69 0.69 0.23 0.11 0.23 0.79 -0.01 | |
| 2.4 0.39 0.39 0.12 0.05 0.12 0.45 -0.01 | |
| 2.5 0.22 0.22 0.05 0.01 0.05 0.25 -0.01 | |
| 2.6 0.11 0.11 0.02 -0.01 0.02 0.13 -0.01 | |
| 2.7 0.06 0.06 -0.00 -0.02 -0.00 0.06 -0.01 | |
| 2.8 0.02 0.02 -0.01 -0.02 -0.01 0.02 -0.01 | |
| 2.9 0.00 0.00 -0.02 -0.02 -0.02 0.00 -0.01 | |
| 3.0 -0.01 -0.01 -0.02 -0.02 -0.02 -0.01 -0.01 | |
| 3.1 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.01 | |
| 3.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.4 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.5 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.7 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.8 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.0 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.1 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.2 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.3 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.4 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.5 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.6 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.7 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 | |
| 4.9 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 86246.81 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 15475.33 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 3441.20 | |
| 0.7 1e+05 1e+05 56927.04 36374.35 56927.04 1e+05 903.45 | |
| 0.8 39880.27 39880.27 17112.72 10931.07 17112.72 46049.77 270.62 | |
| 0.9 13373.00 13373.00 5735.27 3661.71 5735.27 15441.81 90.18 | |
| 1.0 4909.35 4909.35 2103.70 1342.09 2103.70 5668.82 32.78 | |
| 1.1 1945.15 1945.15 832.47 530.48 832.47 2246.07 12.80 | |
| 1.2 822.46 822.46 351.34 223.51 351.34 949.69 5.29 | |
| 1.3 367.73 367.73 156.68 99.43 156.68 424.61 2.29 | |
| 1.4 172.54 172.54 73.24 46.33 73.24 199.23 1.03 | |
| 1.5 84.41 84.41 35.65 22.44 35.65 97.47 0.47 | |
| 1.6 42.82 42.82 17.96 11.23 17.96 49.44 0.22 | |
| 1.7 22.41 22.41 9.31 5.77 9.31 25.88 0.10 | |
| 1.8 12.05 12.05 4.94 3.03 4.94 13.91 0.04 | |
| 1.9 6.62 6.62 2.67 1.61 2.67 7.64 0.01 | |
| 2.0 3.70 3.70 1.46 0.86 1.46 4.28 0.00 | |
| 2.1 2.10 2.10 0.80 0.45 0.80 2.42 -0.00 | |
| 2.2 1.20 1.20 0.44 0.23 0.44 1.38 -0.01 | |
| 2.3 0.69 0.69 0.23 0.11 0.23 0.79 -0.01 | |
| 2.4 0.39 0.39 0.12 0.05 0.12 0.45 -0.01 | |
| 2.5 0.22 0.22 0.05 0.01 0.05 0.25 -0.01 | |
| 2.6 0.11 0.11 0.02 -0.01 0.02 0.13 -0.01 | |
| 2.7 0.06 0.06 -0.00 -0.02 -0.00 0.06 -0.01 | |
| 2.8 0.02 0.02 -0.01 -0.02 -0.01 0.02 -0.01 | |
| 2.9 0.00 0.00 -0.02 -0.02 -0.02 0.00 -0.01 | |
| 3.0 -0.01 -0.01 -0.02 -0.02 -0.02 -0.01 -0.01 | |
| 3.1 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.01 | |
| 3.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.4 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.5 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.7 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.8 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.00 | |
| 3.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.0 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.1 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.2 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.3 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.4 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.5 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.6 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.7 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 | |
| 4.9 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| N, A 12 6 | |
| r r | |
| Calculating energies for N-A interactions. | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| N, C 12 6 | |
| r r | |
| Calculating energies for N-C interactions. | |
| 89860.2 97.8 | |
| E = ----------- - ----------- | |
| N, NA 12 6 | |
| r r | |
| Calculating energies for N-NA interactions. | |
| 59394.2 84.0 | |
| E = ----------- - ----------- | |
| N, OA 12 6 | |
| r r | |
| Calculating energies for N-OA interactions. | |
| 89860.2 97.8 | |
| E = ----------- - ----------- | |
| N, N 12 6 | |
| r r | |
| Calculating energies for N-N interactions. | |
| 229922.4 165.4 | |
| E = ----------- - ----------- | |
| N, SA 12 6 | |
| r r | |
| Calculating energies for N-SA interactions. | |
| 1758.7 8.1 | |
| E = ----------- - ----------- | |
| N, HD 12 6 | |
| r r | |
| Calculating energies for N-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 55476.06 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 12342.78 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 3243.67 | |
| 0.8 1e+05 1e+05 49964.58 33010.17 49964.58 1e+05 973.26 | |
| 0.9 37154.78 37154.78 16753.25 11064.86 16753.25 42902.65 325.20 | |
| 1.0 13645.79 13645.79 6149.52 4059.50 6149.52 15756.80 118.73 | |
| 1.1 5410.18 5410.18 2436.09 1606.95 2436.09 6247.14 46.65 | |
| 1.2 2289.72 2289.72 1029.76 678.54 1029.76 2643.95 19.49 | |
| 1.3 1025.13 1025.13 460.24 302.80 460.24 1183.72 8.56 | |
| 1.4 481.90 481.90 215.83 141.70 215.83 556.45 3.92 | |
| 1.5 236.37 236.37 105.52 69.07 105.52 272.94 1.85 | |
| 1.6 120.32 120.32 53.47 34.86 53.47 138.94 0.89 | |
| 1.7 63.27 63.27 27.95 18.12 27.95 73.05 0.43 | |
| 1.8 34.22 34.22 15.00 9.65 15.00 39.51 0.21 | |
| 1.9 18.96 18.96 8.22 5.24 8.22 21.89 0.10 | |
| 2.0 10.72 10.72 4.58 2.88 4.58 12.38 0.04 | |
| 2.1 6.17 6.17 2.59 1.59 2.59 7.12 0.01 | |
| 2.2 3.59 3.59 1.47 0.88 1.47 4.15 -0.00 | |
| 2.3 2.11 2.11 0.83 0.48 0.83 2.44 -0.01 | |
| 2.4 1.25 1.25 0.47 0.25 0.47 1.44 -0.01 | |
| 2.5 0.73 0.73 0.25 0.12 0.25 0.85 -0.01 | |
| 2.6 0.43 0.43 0.13 0.05 0.13 0.49 -0.01 | |
| 2.7 0.24 0.24 0.06 0.01 0.06 0.28 -0.01 | |
| 2.8 0.13 0.13 0.02 -0.01 0.02 0.15 -0.01 | |
| 2.9 0.06 0.06 -0.01 -0.02 -0.01 0.07 -0.01 | |
| 3.0 0.02 0.02 -0.02 -0.03 -0.02 0.03 -0.01 | |
| 3.1 -0.00 -0.00 -0.02 -0.03 -0.02 -0.00 -0.01 | |
| 3.2 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.3 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.4 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.5 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 3.9 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.5 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.6 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 55476.06 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 12342.78 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 3243.67 | |
| 0.8 1e+05 1e+05 49964.58 33010.17 49964.58 1e+05 973.26 | |
| 0.9 37154.78 37154.78 16753.25 11064.86 16753.25 42902.65 325.20 | |
| 1.0 13645.79 13645.79 6149.52 4059.50 6149.52 15756.80 118.73 | |
| 1.1 5410.18 5410.18 2436.09 1606.95 2436.09 6247.14 46.65 | |
| 1.2 2289.72 2289.72 1029.76 678.54 1029.76 2643.95 19.49 | |
| 1.3 1025.13 1025.13 460.24 302.80 460.24 1183.72 8.56 | |
| 1.4 481.90 481.90 215.83 141.70 215.83 556.45 3.92 | |
| 1.5 236.37 236.37 105.52 69.07 105.52 272.94 1.85 | |
| 1.6 120.32 120.32 53.47 34.86 53.47 138.94 0.89 | |
| 1.7 63.27 63.27 27.95 18.12 27.95 73.05 0.43 | |
| 1.8 34.22 34.22 15.00 9.65 15.00 39.51 0.21 | |
| 1.9 18.96 18.96 8.22 5.24 8.22 21.89 0.10 | |
| 2.0 10.72 10.72 4.58 2.88 4.58 12.38 0.04 | |
| 2.1 6.17 6.17 2.59 1.59 2.59 7.12 0.01 | |
| 2.2 3.59 3.59 1.47 0.88 1.47 4.15 -0.00 | |
| 2.3 2.11 2.11 0.83 0.48 0.83 2.44 -0.01 | |
| 2.4 1.25 1.25 0.47 0.25 0.47 1.44 -0.01 | |
| 2.5 0.73 0.73 0.25 0.12 0.25 0.85 -0.01 | |
| 2.6 0.43 0.43 0.13 0.05 0.13 0.49 -0.01 | |
| 2.7 0.24 0.24 0.06 0.01 0.06 0.28 -0.01 | |
| 2.8 0.13 0.13 0.02 -0.01 0.02 0.15 -0.01 | |
| 2.9 0.06 0.06 -0.01 -0.02 -0.01 0.07 -0.01 | |
| 3.0 0.02 0.02 -0.02 -0.03 -0.02 0.03 -0.01 | |
| 3.1 -0.00 -0.00 -0.02 -0.03 -0.02 -0.00 -0.01 | |
| 3.2 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.3 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.4 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.5 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 3.9 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.5 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.6 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| NA, A 12 6 | |
| r r | |
| Calculating energies for NA-A interactions. | |
| 199118.6 143.2 | |
| E = ----------- - ----------- | |
| NA, C 12 6 | |
| r r | |
| Calculating energies for NA-C interactions. | |
| 89860.2 97.8 | |
| E = ----------- - ----------- | |
| NA, NA 12 6 | |
| r r | |
| Calculating energies for NA-NA interactions. | |
| 59394.2 84.0 | |
| E = ----------- - ----------- | |
| NA, OA 12 6 | |
| r r | |
| Calculating energies for NA-OA interactions. | |
| 89860.2 97.8 | |
| E = ----------- - ----------- | |
| NA, N 12 6 | |
| r r | |
| Calculating energies for NA-N interactions. | |
| 229922.4 165.4 | |
| E = ----------- - ----------- | |
| NA, SA 12 6 | |
| r r | |
| Calculating energies for NA-SA interactions. | |
| 6689.7 2223.7 | |
| E = ----------- - ----------- | |
| NA, HD 12 10 | |
| r r | |
| Calculating energies for NA-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 35735.60 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8666.11 | |
| 0.8 1e+05 1e+05 49964.58 33010.17 49964.58 1e+05 2359.92 | |
| 0.9 37154.78 37154.78 16753.25 11064.86 16753.25 42902.65 700.69 | |
| 1.0 13645.79 13645.79 6149.52 4059.50 6149.52 15756.80 220.94 | |
| 1.1 5410.18 5410.18 2436.09 1606.95 2436.09 6247.14 71.96 | |
| 1.2 2289.72 2289.72 1029.76 678.54 1029.76 2643.95 23.32 | |
| 1.3 1025.13 1025.13 460.24 302.80 460.24 1183.72 7.01 | |
| 1.4 481.90 481.90 215.83 141.70 215.83 556.45 1.56 | |
| 1.5 236.37 236.37 105.52 69.07 105.52 272.94 -0.15 | |
| 1.6 120.32 120.32 53.47 34.86 53.47 138.94 -0.57 | |
| 1.7 63.27 63.27 27.95 18.12 27.95 73.05 -0.60 | |
| 1.8 34.22 34.22 15.00 9.65 15.00 39.51 -0.60 | |
| 1.9 18.96 18.96 8.22 5.24 8.22 21.89 -0.60 | |
| 2.0 10.72 10.72 4.58 2.88 4.58 12.38 -0.60 | |
| 2.1 6.17 6.17 2.59 1.59 2.59 7.12 -0.60 | |
| 2.2 3.59 3.59 1.47 0.88 1.47 4.15 -0.58 | |
| 2.3 2.11 2.11 0.83 0.48 0.83 2.44 -0.48 | |
| 2.4 1.25 1.25 0.47 0.25 0.47 1.44 -0.37 | |
| 2.5 0.73 0.73 0.25 0.12 0.25 0.85 -0.27 | |
| 2.6 0.43 0.43 0.13 0.05 0.13 0.49 -0.20 | |
| 2.7 0.24 0.24 0.06 0.01 0.06 0.28 -0.14 | |
| 2.8 0.13 0.13 0.02 -0.01 0.02 0.15 -0.10 | |
| 2.9 0.06 0.06 -0.01 -0.02 -0.01 0.07 -0.07 | |
| 3.0 0.02 0.02 -0.02 -0.03 -0.02 0.03 -0.05 | |
| 3.1 -0.00 -0.00 -0.02 -0.03 -0.02 -0.00 -0.04 | |
| 3.2 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.03 | |
| 3.3 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.4 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.5 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.5 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.6 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 35735.60 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8666.11 | |
| 0.8 1e+05 1e+05 49964.58 33010.17 49964.58 1e+05 2359.92 | |
| 0.9 37154.78 37154.78 16753.25 11064.86 16753.25 42902.65 700.69 | |
| 1.0 13645.79 13645.79 6149.52 4059.50 6149.52 15756.80 220.94 | |
| 1.1 5410.18 5410.18 2436.09 1606.95 2436.09 6247.14 71.96 | |
| 1.2 2289.72 2289.72 1029.76 678.54 1029.76 2643.95 23.32 | |
| 1.3 1025.13 1025.13 460.24 302.80 460.24 1183.72 7.01 | |
| 1.4 481.90 481.90 215.83 141.70 215.83 556.45 1.56 | |
| 1.5 236.37 236.37 105.52 69.07 105.52 272.94 -0.15 | |
| 1.6 120.32 120.32 53.47 34.86 53.47 138.94 -0.57 | |
| 1.7 63.27 63.27 27.95 18.12 27.95 73.05 -0.60 | |
| 1.8 34.22 34.22 15.00 9.65 15.00 39.51 -0.60 | |
| 1.9 18.96 18.96 8.22 5.24 8.22 21.89 -0.60 | |
| 2.0 10.72 10.72 4.58 2.88 4.58 12.38 -0.60 | |
| 2.1 6.17 6.17 2.59 1.59 2.59 7.12 -0.60 | |
| 2.2 3.59 3.59 1.47 0.88 1.47 4.15 -0.58 | |
| 2.3 2.11 2.11 0.83 0.48 0.83 2.44 -0.48 | |
| 2.4 1.25 1.25 0.47 0.25 0.47 1.44 -0.37 | |
| 2.5 0.73 0.73 0.25 0.12 0.25 0.85 -0.27 | |
| 2.6 0.43 0.43 0.13 0.05 0.13 0.49 -0.20 | |
| 2.7 0.24 0.24 0.06 0.01 0.06 0.28 -0.14 | |
| 2.8 0.13 0.13 0.02 -0.01 0.02 0.15 -0.10 | |
| 2.9 0.06 0.06 -0.01 -0.02 -0.01 0.07 -0.07 | |
| 3.0 0.02 0.02 -0.02 -0.03 -0.02 0.03 -0.05 | |
| 3.1 -0.00 -0.00 -0.02 -0.03 -0.02 -0.00 -0.04 | |
| 3.2 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.03 | |
| 3.3 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.4 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.5 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.4 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.5 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.6 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.7 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.9 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 648863.7 296.3 | |
| E = ----------- - ----------- | |
| Cl, A 12 6 | |
| r r | |
| Calculating energies for Cl-A interactions. | |
| 648863.7 296.3 | |
| E = ----------- - ----------- | |
| Cl, C 12 6 | |
| r r | |
| Calculating energies for Cl-C interactions. | |
| 311664.2 208.7 | |
| E = ----------- - ----------- | |
| Cl, NA 12 6 | |
| r r | |
| Calculating energies for Cl-NA interactions. | |
| 214768.7 183.2 | |
| E = ----------- - ----------- | |
| Cl, OA 12 6 | |
| r r | |
| Calculating energies for Cl-OA interactions. | |
| 311664.2 208.7 | |
| E = ----------- - ----------- | |
| Cl, N 12 6 | |
| r r | |
| Calculating energies for Cl-N interactions. | |
| 749243.3 342.1 | |
| E = ----------- - ----------- | |
| Cl, SA 12 6 | |
| r r | |
| Calculating energies for Cl-SA interactions. | |
| 7846.0 19.7 | |
| E = ----------- - ----------- | |
| Cl, HD 12 6 | |
| r r | |
| Calculating energies for Cl-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 55107.39 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 14493.16 | |
| 0.8 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 4354.25 | |
| 0.9 1e+05 1e+05 58162.06 40062.62 58162.06 1e+05 1457.96 | |
| 1.0 44511.91 44511.91 21362.70 14710.78 21362.70 51397.93 534.01 | |
| 1.1 17658.19 17658.19 8470.67 5830.66 8470.67 20389.93 210.86 | |
| 1.2 7479.81 7479.81 3585.59 2466.60 3585.59 8636.94 88.71 | |
| 1.3 3352.85 3352.85 1605.67 1103.63 1605.67 3871.54 39.38 | |
| 1.4 1578.80 1578.80 755.04 518.35 755.04 1823.04 18.29 | |
| 1.5 776.18 776.18 370.51 253.95 370.51 896.26 8.82 | |
| 1.6 396.34 396.34 188.72 129.06 188.72 457.66 4.39 | |
| 1.7 209.27 209.27 99.31 67.72 99.31 241.64 2.24 | |
| 1.8 113.80 113.80 53.77 36.52 53.77 131.40 1.16 | |
| 1.9 63.51 63.51 29.83 20.16 29.83 73.34 0.60 | |
| 2.0 36.26 36.26 16.91 11.35 16.91 41.87 0.31 | |
| 2.1 21.11 21.11 9.75 6.48 9.75 24.38 0.16 | |
| 2.2 12.50 12.50 5.70 3.74 5.70 14.44 0.08 | |
| 2.3 7.51 7.51 3.36 2.17 3.36 8.67 0.03 | |
| 2.4 4.55 4.55 2.00 1.26 2.00 5.26 0.01 | |
| 2.5 2.78 2.78 1.18 0.72 1.18 3.21 -0.00 | |
| 2.6 1.71 1.71 0.70 0.41 0.70 1.97 -0.01 | |
| 2.7 1.04 1.04 0.40 0.22 0.40 1.21 -0.01 | |
| 2.8 0.63 0.63 0.22 0.10 0.22 0.73 -0.01 | |
| 2.9 0.38 0.38 0.11 0.04 0.11 0.43 -0.01 | |
| 3.0 0.22 0.22 0.05 -0.00 0.05 0.25 -0.01 | |
| 3.1 0.12 0.12 0.01 -0.02 0.01 0.13 -0.01 | |
| 3.2 0.05 0.05 -0.01 -0.03 -0.01 0.06 -0.01 | |
| 3.3 0.01 0.01 -0.03 -0.04 -0.03 0.02 -0.01 | |
| 3.4 -0.01 -0.01 -0.03 -0.04 -0.03 -0.01 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.04 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.04 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 4.0 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 4.1 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 4.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.3 -0.03 -0.03 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.4 -0.03 -0.03 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.5 -0.03 -0.03 -0.03 -0.02 -0.03 -0.04 -0.00 | |
| 4.6 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.7 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.8 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.9 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 5.0 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 55107.39 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 14493.16 | |
| 0.8 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 4354.25 | |
| 0.9 1e+05 1e+05 58162.06 40062.62 58162.06 1e+05 1457.96 | |
| 1.0 44511.91 44511.91 21362.70 14710.78 21362.70 51397.93 534.01 | |
| 1.1 17658.19 17658.19 8470.67 5830.66 8470.67 20389.93 210.86 | |
| 1.2 7479.81 7479.81 3585.59 2466.60 3585.59 8636.94 88.71 | |
| 1.3 3352.85 3352.85 1605.67 1103.63 1605.67 3871.54 39.38 | |
| 1.4 1578.80 1578.80 755.04 518.35 755.04 1823.04 18.29 | |
| 1.5 776.18 776.18 370.51 253.95 370.51 896.26 8.82 | |
| 1.6 396.34 396.34 188.72 129.06 188.72 457.66 4.39 | |
| 1.7 209.27 209.27 99.31 67.72 99.31 241.64 2.24 | |
| 1.8 113.80 113.80 53.77 36.52 53.77 131.40 1.16 | |
| 1.9 63.51 63.51 29.83 20.16 29.83 73.34 0.60 | |
| 2.0 36.26 36.26 16.91 11.35 16.91 41.87 0.31 | |
| 2.1 21.11 21.11 9.75 6.48 9.75 24.38 0.16 | |
| 2.2 12.50 12.50 5.70 3.74 5.70 14.44 0.08 | |
| 2.3 7.51 7.51 3.36 2.17 3.36 8.67 0.03 | |
| 2.4 4.55 4.55 2.00 1.26 2.00 5.26 0.01 | |
| 2.5 2.78 2.78 1.18 0.72 1.18 3.21 -0.00 | |
| 2.6 1.71 1.71 0.70 0.41 0.70 1.97 -0.01 | |
| 2.7 1.04 1.04 0.40 0.22 0.40 1.21 -0.01 | |
| 2.8 0.63 0.63 0.22 0.10 0.22 0.73 -0.01 | |
| 2.9 0.38 0.38 0.11 0.04 0.11 0.43 -0.01 | |
| 3.0 0.22 0.22 0.05 -0.00 0.05 0.25 -0.01 | |
| 3.1 0.12 0.12 0.01 -0.02 0.01 0.13 -0.01 | |
| 3.2 0.05 0.05 -0.01 -0.03 -0.01 0.06 -0.01 | |
| 3.3 0.01 0.01 -0.03 -0.04 -0.03 0.02 -0.01 | |
| 3.4 -0.01 -0.01 -0.03 -0.04 -0.03 -0.01 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.04 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.04 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 4.0 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 4.1 -0.03 -0.03 -0.03 -0.04 -0.03 -0.04 -0.01 | |
| 4.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.3 -0.03 -0.03 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.4 -0.03 -0.03 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.5 -0.03 -0.03 -0.03 -0.02 -0.03 -0.04 -0.00 | |
| 4.6 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.7 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.8 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.9 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 5.0 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 136402.3 125.3 | |
| E = ----------- - ----------- | |
| OA, A 12 6 | |
| r r | |
| Calculating energies for OA-A interactions. | |
| 136402.3 125.3 | |
| E = ----------- - ----------- | |
| OA, C 12 6 | |
| r r | |
| Calculating energies for OA-C interactions. | |
| 59394.2 84.0 | |
| E = ----------- - ----------- | |
| OA, NA 12 6 | |
| r r | |
| Calculating energies for OA-NA interactions. | |
| 38323.1 71.4 | |
| E = ----------- - ----------- | |
| OA, OA 12 6 | |
| r r | |
| Calculating energies for OA-OA interactions. | |
| 59394.2 84.0 | |
| E = ----------- - ----------- | |
| OA, N 12 6 | |
| r r | |
| Calculating energies for OA-N interactions. | |
| 157503.8 144.7 | |
| E = ----------- - ----------- | |
| OA, SA 12 6 | |
| r r | |
| Calculating energies for OA-SA interactions. | |
| 6689.7 2223.7 | |
| E = ----------- - ----------- | |
| OA, HD 12 10 | |
| r r | |
| Calculating energies for OA-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 35735.60 | |
| 0.7 1e+05 1e+05 1e+05 70824.32 1e+05 1e+05 8666.11 | |
| 0.8 75860.38 75860.38 33010.17 21286.48 33010.17 87596.02 2359.92 | |
| 0.9 25440.38 25440.38 11064.86 7132.00 11064.86 29376.02 700.69 | |
| 1.0 9340.64 9340.64 4059.50 2614.83 4059.50 10785.64 220.94 | |
| 1.1 3701.64 3701.64 1606.95 1034.02 1606.95 4274.29 71.96 | |
| 1.2 1565.60 1565.60 678.54 435.97 678.54 1807.80 23.32 | |
| 1.3 700.28 700.28 302.80 194.14 302.80 808.61 7.01 | |
| 1.4 328.77 328.77 141.70 90.58 141.70 379.63 1.56 | |
| 1.5 160.97 160.97 69.07 43.97 69.07 185.87 -0.15 | |
| 1.6 81.75 81.75 34.86 22.06 34.86 94.39 -0.57 | |
| 1.7 42.84 42.84 18.12 11.38 18.12 49.47 -0.60 | |
| 1.8 23.07 23.07 9.65 6.00 9.65 26.64 -0.60 | |
| 1.9 12.71 12.71 5.24 3.21 5.24 14.68 -0.60 | |
| 2.0 7.14 7.14 2.88 1.73 2.88 8.24 -0.60 | |
| 2.1 4.06 4.06 1.59 0.93 1.59 4.69 -0.60 | |
| 2.2 2.34 2.34 0.88 0.49 0.88 2.70 -0.58 | |
| 2.3 1.35 1.35 0.48 0.25 0.48 1.56 -0.48 | |
| 2.4 0.78 0.78 0.25 0.11 0.25 0.90 -0.37 | |
| 2.5 0.44 0.44 0.12 0.04 0.12 0.51 -0.27 | |
| 2.6 0.24 0.24 0.05 0.00 0.05 0.28 -0.20 | |
| 2.7 0.12 0.12 0.01 -0.02 0.01 0.14 -0.14 | |
| 2.8 0.05 0.05 -0.01 -0.03 -0.01 0.06 -0.10 | |
| 2.9 0.01 0.01 -0.02 -0.03 -0.02 0.02 -0.07 | |
| 3.0 -0.01 -0.01 -0.03 -0.03 -0.03 -0.01 -0.05 | |
| 3.1 -0.02 -0.02 -0.03 -0.03 -0.03 -0.02 -0.04 | |
| 3.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 | |
| 3.3 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.4 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.5 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.4 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.5 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.6 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.7 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.9 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 35735.60 | |
| 0.7 1e+05 1e+05 1e+05 70824.32 1e+05 1e+05 8666.11 | |
| 0.8 75860.38 75860.38 33010.17 21286.48 33010.17 87596.02 2359.92 | |
| 0.9 25440.38 25440.38 11064.86 7132.00 11064.86 29376.02 700.69 | |
| 1.0 9340.64 9340.64 4059.50 2614.83 4059.50 10785.64 220.94 | |
| 1.1 3701.64 3701.64 1606.95 1034.02 1606.95 4274.29 71.96 | |
| 1.2 1565.60 1565.60 678.54 435.97 678.54 1807.80 23.32 | |
| 1.3 700.28 700.28 302.80 194.14 302.80 808.61 7.01 | |
| 1.4 328.77 328.77 141.70 90.58 141.70 379.63 1.56 | |
| 1.5 160.97 160.97 69.07 43.97 69.07 185.87 -0.15 | |
| 1.6 81.75 81.75 34.86 22.06 34.86 94.39 -0.57 | |
| 1.7 42.84 42.84 18.12 11.38 18.12 49.47 -0.60 | |
| 1.8 23.07 23.07 9.65 6.00 9.65 26.64 -0.60 | |
| 1.9 12.71 12.71 5.24 3.21 5.24 14.68 -0.60 | |
| 2.0 7.14 7.14 2.88 1.73 2.88 8.24 -0.60 | |
| 2.1 4.06 4.06 1.59 0.93 1.59 4.69 -0.60 | |
| 2.2 2.34 2.34 0.88 0.49 0.88 2.70 -0.58 | |
| 2.3 1.35 1.35 0.48 0.25 0.48 1.56 -0.48 | |
| 2.4 0.78 0.78 0.25 0.11 0.25 0.90 -0.37 | |
| 2.5 0.44 0.44 0.12 0.04 0.12 0.51 -0.27 | |
| 2.6 0.24 0.24 0.05 0.00 0.05 0.28 -0.20 | |
| 2.7 0.12 0.12 0.01 -0.02 0.01 0.14 -0.14 | |
| 2.8 0.05 0.05 -0.01 -0.03 -0.01 0.06 -0.10 | |
| 2.9 0.01 0.01 -0.02 -0.03 -0.02 0.02 -0.07 | |
| 3.0 -0.01 -0.01 -0.03 -0.03 -0.03 -0.01 -0.05 | |
| 3.1 -0.02 -0.02 -0.03 -0.03 -0.03 -0.02 -0.04 | |
| 3.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 | |
| 3.3 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.4 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.5 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.2 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.3 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.4 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.5 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.6 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.7 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 4.8 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4.9 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 5.0 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 | |
| 4837.8 13.3 | |
| E = ----------- - ----------- | |
| HD, A 12 6 | |
| r r | |
| Calculating energies for HD-A interactions. | |
| 4837.8 13.3 | |
| E = ----------- - ----------- | |
| HD, C 12 6 | |
| r r | |
| Calculating energies for HD-C interactions. | |
| 6689.7 2223.7 | |
| E = ----------- - ----------- | |
| HD, NA 12 10 | |
| r r | |
| Calculating energies for HD-NA interactions. | |
| 6689.7 2223.7 | |
| E = ----------- - ----------- | |
| HD, OA 12 10 | |
| r r | |
| Calculating energies for HD-OA interactions. | |
| 1758.7 8.1 | |
| E = ----------- - ----------- | |
| HD, N 12 6 | |
| r r | |
| Calculating energies for HD-N interactions. | |
| 36031.0 6918.0 | |
| E = ----------- - ----------- | |
| HD, SA 12 10 | |
| r r | |
| Calculating energies for HD-SA interactions. | |
| 13.6 0.4 | |
| E = ----------- - ----------- | |
| HD, HD 12 6 | |
| r r | |
| Calculating energies for HD-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 17753.86 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 2388.01 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 55476.06 1e+05 427.43 | |
| 0.6 33975.82 33975.82 35735.60 35735.60 12342.78 1e+05 94.59 | |
| 0.7 8934.84 8934.84 8666.11 8666.11 3243.67 55125.38 24.62 | |
| 0.8 2683.96 2683.96 2359.92 2359.92 973.26 15816.39 7.26 | |
| 0.9 898.48 898.48 700.69 700.69 325.20 5024.44 2.36 | |
| 1.0 328.97 328.97 220.94 220.94 118.73 1733.22 0.82 | |
| 1.1 129.83 129.83 71.96 71.96 46.65 639.20 0.30 | |
| 1.2 54.58 54.58 23.32 23.32 19.49 248.74 0.11 | |
| 1.3 24.20 24.20 7.01 7.01 8.56 100.94 0.04 | |
| 1.4 11.22 11.22 1.56 1.56 3.92 42.23 0.01 | |
| 1.5 5.40 5.40 -0.15 -0.15 1.85 17.99 0.00 | |
| 1.6 2.68 2.68 -0.57 -0.57 0.89 7.69 -0.00 | |
| 1.7 1.36 1.36 -0.60 -0.60 0.43 3.22 -0.00 | |
| 1.8 0.70 0.70 -0.60 -0.60 0.21 1.26 -0.00 | |
| 1.9 0.36 0.36 -0.60 -0.60 0.10 0.42 -0.00 | |
| 2.0 0.19 0.19 -0.60 -0.60 0.04 0.06 -0.00 | |
| 2.1 0.09 0.09 -0.60 -0.60 0.01 -0.08 -0.00 | |
| 2.2 0.04 0.04 -0.58 -0.58 -0.00 -0.12 -0.00 | |
| 2.3 0.02 0.02 -0.48 -0.48 -0.01 -0.12 -0.00 | |
| 2.4 0.00 0.00 -0.37 -0.37 -0.01 -0.12 -0.00 | |
| 2.5 -0.00 -0.00 -0.27 -0.27 -0.01 -0.12 -0.00 | |
| 2.6 -0.01 -0.01 -0.20 -0.20 -0.01 -0.12 -0.00 | |
| 2.7 -0.01 -0.01 -0.14 -0.14 -0.01 -0.12 -0.00 | |
| 2.8 -0.01 -0.01 -0.10 -0.10 -0.01 -0.12 -0.00 | |
| 2.9 -0.01 -0.01 -0.07 -0.07 -0.01 -0.10 -0.00 | |
| 3.0 -0.01 -0.01 -0.05 -0.05 -0.01 -0.09 -0.00 | |
| 3.1 -0.01 -0.01 -0.04 -0.04 -0.01 -0.07 -0.00 | |
| 3.2 -0.01 -0.01 -0.03 -0.03 -0.01 -0.06 -0.00 | |
| 3.3 -0.01 -0.01 -0.02 -0.02 -0.01 -0.04 -0.00 | |
| 3.4 -0.01 -0.01 -0.02 -0.02 -0.01 -0.03 -0.00 | |
| 3.5 -0.01 -0.01 -0.01 -0.01 -0.01 -0.03 -0.00 | |
| 3.6 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 | |
| 3.7 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 | |
| 3.8 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 | |
| 3.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 4.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 4.1 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 4.2 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.3 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.4 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.5 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.7 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.8 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 5.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 17753.86 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 2388.01 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 55476.06 1e+05 427.43 | |
| 0.6 33975.82 33975.82 35735.60 35735.60 12342.78 1e+05 94.59 | |
| 0.7 8934.84 8934.84 8666.11 8666.11 3243.67 55125.38 24.62 | |
| 0.8 2683.96 2683.96 2359.92 2359.92 973.26 15816.39 7.26 | |
| 0.9 898.48 898.48 700.69 700.69 325.20 5024.44 2.36 | |
| 1.0 328.97 328.97 220.94 220.94 118.73 1733.22 0.82 | |
| 1.1 129.83 129.83 71.96 71.96 46.65 639.20 0.30 | |
| 1.2 54.58 54.58 23.32 23.32 19.49 248.74 0.11 | |
| 1.3 24.20 24.20 7.01 7.01 8.56 100.94 0.04 | |
| 1.4 11.22 11.22 1.56 1.56 3.92 42.23 0.01 | |
| 1.5 5.40 5.40 -0.15 -0.15 1.85 17.99 0.00 | |
| 1.6 2.68 2.68 -0.57 -0.57 0.89 7.69 -0.00 | |
| 1.7 1.36 1.36 -0.60 -0.60 0.43 3.22 -0.00 | |
| 1.8 0.70 0.70 -0.60 -0.60 0.21 1.26 -0.00 | |
| 1.9 0.36 0.36 -0.60 -0.60 0.10 0.42 -0.00 | |
| 2.0 0.19 0.19 -0.60 -0.60 0.04 0.06 -0.00 | |
| 2.1 0.09 0.09 -0.60 -0.60 0.01 -0.08 -0.00 | |
| 2.2 0.04 0.04 -0.58 -0.58 -0.00 -0.12 -0.00 | |
| 2.3 0.02 0.02 -0.48 -0.48 -0.01 -0.12 -0.00 | |
| 2.4 0.00 0.00 -0.37 -0.37 -0.01 -0.12 -0.00 | |
| 2.5 -0.00 -0.00 -0.27 -0.27 -0.01 -0.12 -0.00 | |
| 2.6 -0.01 -0.01 -0.20 -0.20 -0.01 -0.12 -0.00 | |
| 2.7 -0.01 -0.01 -0.14 -0.14 -0.01 -0.12 -0.00 | |
| 2.8 -0.01 -0.01 -0.10 -0.10 -0.01 -0.12 -0.00 | |
| 2.9 -0.01 -0.01 -0.07 -0.07 -0.01 -0.10 -0.00 | |
| 3.0 -0.01 -0.01 -0.05 -0.05 -0.01 -0.09 -0.00 | |
| 3.1 -0.01 -0.01 -0.04 -0.04 -0.01 -0.07 -0.00 | |
| 3.2 -0.01 -0.01 -0.03 -0.03 -0.01 -0.06 -0.00 | |
| 3.3 -0.01 -0.01 -0.02 -0.02 -0.01 -0.04 -0.00 | |
| 3.4 -0.01 -0.01 -0.02 -0.02 -0.01 -0.03 -0.00 | |
| 3.5 -0.01 -0.01 -0.01 -0.01 -0.01 -0.03 -0.00 | |
| 3.6 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 | |
| 3.7 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 | |
| 3.8 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 | |
| 3.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 4.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 4.1 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 | |
| 4.2 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.3 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.4 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.5 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.6 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.7 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.8 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 4.9 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 5.0 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 | |
| 482960.4 235.8 | |
| E = ----------- - ----------- | |
| S, A 12 6 | |
| r r | |
| Calculating energies for S-A interactions. | |
| 482960.4 235.8 | |
| E = ----------- - ----------- | |
| S, C 12 6 | |
| r r | |
| Calculating energies for S-C interactions. | |
| 229922.4 165.4 | |
| E = ----------- - ----------- | |
| S, NA 12 6 | |
| r r | |
| Calculating energies for S-NA interactions. | |
| 157503.8 144.7 | |
| E = ----------- - ----------- | |
| S, OA 12 6 | |
| r r | |
| Calculating energies for S-OA interactions. | |
| 229922.4 165.4 | |
| E = ----------- - ----------- | |
| S, N 12 6 | |
| r r | |
| Calculating energies for S-N interactions. | |
| 557674.7 272.3 | |
| E = ----------- - ----------- | |
| S, SA 12 6 | |
| r r | |
| Calculating energies for S-SA interactions. | |
| 5586.2 15.3 | |
| E = ----------- - ----------- | |
| S, HD 12 6 | |
| r r | |
| Calculating energies for S-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 39231.90 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 10317.06 | |
| 0.8 1e+05 1e+05 1e+05 87596.02 1e+05 1e+05 3099.17 | |
| 0.9 90166.80 90166.80 42902.65 29376.02 42902.65 1e+05 1037.47 | |
| 1.0 33126.97 33126.97 15756.80 10785.64 15756.80 38251.73 379.86 | |
| 1.1 13140.77 13140.77 6247.14 4274.29 6247.14 15173.65 149.91 | |
| 1.2 5565.70 5565.70 2643.95 1807.80 2643.95 6426.72 63.02 | |
| 1.3 2494.48 2494.48 1183.72 808.61 1183.72 2880.38 27.94 | |
| 1.4 1174.37 1174.37 556.45 379.63 556.45 1356.04 12.96 | |
| 1.5 577.19 577.19 272.94 185.87 272.94 666.48 6.24 | |
| 1.6 294.62 294.62 138.94 94.39 138.94 340.20 3.09 | |
| 1.7 155.48 155.48 73.05 49.47 73.05 179.53 1.57 | |
| 1.8 84.50 84.50 39.51 26.64 39.51 97.57 0.81 | |
| 1.9 47.12 47.12 21.89 14.68 21.89 54.41 0.42 | |
| 2.0 26.87 26.87 12.38 8.24 12.38 31.03 0.21 | |
| 2.1 15.63 15.63 7.12 4.69 7.12 18.04 0.11 | |
| 2.2 9.24 9.24 4.15 2.70 4.15 10.66 0.05 | |
| 2.3 5.53 5.53 2.44 1.56 2.44 6.39 0.02 | |
| 2.4 3.35 3.35 1.44 0.90 1.44 3.86 0.00 | |
| 2.5 2.04 2.04 0.85 0.51 0.85 2.35 -0.01 | |
| 2.6 1.24 1.24 0.49 0.28 0.49 1.43 -0.01 | |
| 2.7 0.75 0.75 0.28 0.14 0.28 0.87 -0.01 | |
| 2.8 0.45 0.45 0.15 0.06 0.15 0.52 -0.01 | |
| 2.9 0.26 0.26 0.07 0.02 0.07 0.31 -0.01 | |
| 3.0 0.15 0.15 0.03 -0.01 0.03 0.17 -0.01 | |
| 3.1 0.07 0.07 -0.00 -0.02 -0.00 0.09 -0.01 | |
| 3.2 0.03 0.03 -0.02 -0.03 -0.02 0.03 -0.01 | |
| 3.3 0.00 0.00 -0.03 -0.03 -0.03 0.00 -0.01 | |
| 3.4 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.0 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.3 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.4 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.8 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 39231.90 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 10317.06 | |
| 0.8 1e+05 1e+05 1e+05 87596.02 1e+05 1e+05 3099.17 | |
| 0.9 90166.80 90166.80 42902.65 29376.02 42902.65 1e+05 1037.47 | |
| 1.0 33126.97 33126.97 15756.80 10785.64 15756.80 38251.73 379.86 | |
| 1.1 13140.77 13140.77 6247.14 4274.29 6247.14 15173.65 149.91 | |
| 1.2 5565.70 5565.70 2643.95 1807.80 2643.95 6426.72 63.02 | |
| 1.3 2494.48 2494.48 1183.72 808.61 1183.72 2880.38 27.94 | |
| 1.4 1174.37 1174.37 556.45 379.63 556.45 1356.04 12.96 | |
| 1.5 577.19 577.19 272.94 185.87 272.94 666.48 6.24 | |
| 1.6 294.62 294.62 138.94 94.39 138.94 340.20 3.09 | |
| 1.7 155.48 155.48 73.05 49.47 73.05 179.53 1.57 | |
| 1.8 84.50 84.50 39.51 26.64 39.51 97.57 0.81 | |
| 1.9 47.12 47.12 21.89 14.68 21.89 54.41 0.42 | |
| 2.0 26.87 26.87 12.38 8.24 12.38 31.03 0.21 | |
| 2.1 15.63 15.63 7.12 4.69 7.12 18.04 0.11 | |
| 2.2 9.24 9.24 4.15 2.70 4.15 10.66 0.05 | |
| 2.3 5.53 5.53 2.44 1.56 2.44 6.39 0.02 | |
| 2.4 3.35 3.35 1.44 0.90 1.44 3.86 0.00 | |
| 2.5 2.04 2.04 0.85 0.51 0.85 2.35 -0.01 | |
| 2.6 1.24 1.24 0.49 0.28 0.49 1.43 -0.01 | |
| 2.7 0.75 0.75 0.28 0.14 0.28 0.87 -0.01 | |
| 2.8 0.45 0.45 0.15 0.06 0.15 0.52 -0.01 | |
| 2.9 0.26 0.26 0.07 0.02 0.07 0.31 -0.01 | |
| 3.0 0.15 0.15 0.03 -0.01 0.03 0.17 -0.01 | |
| 3.1 0.07 0.07 -0.00 -0.02 -0.00 0.09 -0.01 | |
| 3.2 0.03 0.03 -0.02 -0.03 -0.02 0.03 -0.01 | |
| 3.3 0.00 0.00 -0.03 -0.03 -0.03 0.00 -0.01 | |
| 3.4 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.01 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.0 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.1 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.3 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.4 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.8 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 482960.4 235.8 | |
| E = ----------- - ----------- | |
| SA, A 12 6 | |
| r r | |
| Calculating energies for SA-A interactions. | |
| 482960.4 235.8 | |
| E = ----------- - ----------- | |
| SA, C 12 6 | |
| r r | |
| Calculating energies for SA-C interactions. | |
| 229922.4 165.4 | |
| E = ----------- - ----------- | |
| SA, NA 12 6 | |
| r r | |
| Calculating energies for SA-NA interactions. | |
| 157503.8 144.7 | |
| E = ----------- - ----------- | |
| SA, OA 12 6 | |
| r r | |
| Calculating energies for SA-OA interactions. | |
| 229922.4 165.4 | |
| E = ----------- - ----------- | |
| SA, N 12 6 | |
| r r | |
| Calculating energies for SA-N interactions. | |
| 557674.7 272.3 | |
| E = ----------- - ----------- | |
| SA, SA 12 6 | |
| r r | |
| Calculating energies for SA-SA interactions. | |
| 36031.0 6918.0 | |
| E = ----------- - ----------- | |
| SA, HD 12 10 | |
| r r | |
| Calculating energies for SA-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 55125.38 | |
| 0.8 1e+05 1e+05 1e+05 87596.02 1e+05 1e+05 15816.39 | |
| 0.9 90166.80 90166.80 42902.65 29376.02 42902.65 1e+05 5024.44 | |
| 1.0 33126.97 33126.97 15756.80 10785.64 15756.80 38251.73 1733.22 | |
| 1.1 13140.77 13140.77 6247.14 4274.29 6247.14 15173.65 639.20 | |
| 1.2 5565.70 5565.70 2643.95 1807.80 2643.95 6426.72 248.74 | |
| 1.3 2494.48 2494.48 1183.72 808.61 1183.72 2880.38 100.94 | |
| 1.4 1174.37 1174.37 556.45 379.63 556.45 1356.04 42.23 | |
| 1.5 577.19 577.19 272.94 185.87 272.94 666.48 17.99 | |
| 1.6 294.62 294.62 138.94 94.39 138.94 340.20 7.69 | |
| 1.7 155.48 155.48 73.05 49.47 73.05 179.53 3.22 | |
| 1.8 84.50 84.50 39.51 26.64 39.51 97.57 1.26 | |
| 1.9 47.12 47.12 21.89 14.68 21.89 54.41 0.42 | |
| 2.0 26.87 26.87 12.38 8.24 12.38 31.03 0.06 | |
| 2.1 15.63 15.63 7.12 4.69 7.12 18.04 -0.08 | |
| 2.2 9.24 9.24 4.15 2.70 4.15 10.66 -0.12 | |
| 2.3 5.53 5.53 2.44 1.56 2.44 6.39 -0.12 | |
| 2.4 3.35 3.35 1.44 0.90 1.44 3.86 -0.12 | |
| 2.5 2.04 2.04 0.85 0.51 0.85 2.35 -0.12 | |
| 2.6 1.24 1.24 0.49 0.28 0.49 1.43 -0.12 | |
| 2.7 0.75 0.75 0.28 0.14 0.28 0.87 -0.12 | |
| 2.8 0.45 0.45 0.15 0.06 0.15 0.52 -0.12 | |
| 2.9 0.26 0.26 0.07 0.02 0.07 0.31 -0.10 | |
| 3.0 0.15 0.15 0.03 -0.01 0.03 0.17 -0.09 | |
| 3.1 0.07 0.07 -0.00 -0.02 -0.00 0.09 -0.07 | |
| 3.2 0.03 0.03 -0.02 -0.03 -0.02 0.03 -0.06 | |
| 3.3 0.00 0.00 -0.03 -0.03 -0.03 0.00 -0.04 | |
| 3.4 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.03 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.03 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.0 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.1 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.3 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.4 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.8 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 55125.38 | |
| 0.8 1e+05 1e+05 1e+05 87596.02 1e+05 1e+05 15816.39 | |
| 0.9 90166.80 90166.80 42902.65 29376.02 42902.65 1e+05 5024.44 | |
| 1.0 33126.97 33126.97 15756.80 10785.64 15756.80 38251.73 1733.22 | |
| 1.1 13140.77 13140.77 6247.14 4274.29 6247.14 15173.65 639.20 | |
| 1.2 5565.70 5565.70 2643.95 1807.80 2643.95 6426.72 248.74 | |
| 1.3 2494.48 2494.48 1183.72 808.61 1183.72 2880.38 100.94 | |
| 1.4 1174.37 1174.37 556.45 379.63 556.45 1356.04 42.23 | |
| 1.5 577.19 577.19 272.94 185.87 272.94 666.48 17.99 | |
| 1.6 294.62 294.62 138.94 94.39 138.94 340.20 7.69 | |
| 1.7 155.48 155.48 73.05 49.47 73.05 179.53 3.22 | |
| 1.8 84.50 84.50 39.51 26.64 39.51 97.57 1.26 | |
| 1.9 47.12 47.12 21.89 14.68 21.89 54.41 0.42 | |
| 2.0 26.87 26.87 12.38 8.24 12.38 31.03 0.06 | |
| 2.1 15.63 15.63 7.12 4.69 7.12 18.04 -0.08 | |
| 2.2 9.24 9.24 4.15 2.70 4.15 10.66 -0.12 | |
| 2.3 5.53 5.53 2.44 1.56 2.44 6.39 -0.12 | |
| 2.4 3.35 3.35 1.44 0.90 1.44 3.86 -0.12 | |
| 2.5 2.04 2.04 0.85 0.51 0.85 2.35 -0.12 | |
| 2.6 1.24 1.24 0.49 0.28 0.49 1.43 -0.12 | |
| 2.7 0.75 0.75 0.28 0.14 0.28 0.87 -0.12 | |
| 2.8 0.45 0.45 0.15 0.06 0.15 0.52 -0.12 | |
| 2.9 0.26 0.26 0.07 0.02 0.07 0.31 -0.10 | |
| 3.0 0.15 0.15 0.03 -0.01 0.03 0.17 -0.09 | |
| 3.1 0.07 0.07 -0.00 -0.02 -0.00 0.09 -0.07 | |
| 3.2 0.03 0.03 -0.02 -0.03 -0.02 0.03 -0.06 | |
| 3.3 0.00 0.00 -0.03 -0.03 -0.03 0.00 -0.04 | |
| 3.4 -0.01 -0.01 -0.03 -0.03 -0.03 -0.02 -0.03 | |
| 3.5 -0.02 -0.02 -0.03 -0.03 -0.03 -0.03 -0.03 | |
| 3.6 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.7 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.02 | |
| 3.8 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 3.9 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.0 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.1 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.01 | |
| 4.2 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.00 | |
| 4.3 -0.03 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 | |
| 4.4 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.5 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.6 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.7 -0.02 -0.02 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| 4.8 -0.02 -0.02 -0.02 -0.01 -0.02 -0.02 -0.00 | |
| 4.9 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 5.0 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 | |
| 1094035.8 419.2 | |
| E = ----------- - ----------- | |
| Br, A 12 6 | |
| r r | |
| Calculating energies for Br-A interactions. | |
| 1094035.8 419.2 | |
| E = ----------- - ----------- | |
| Br, C 12 6 | |
| r r | |
| Calculating energies for Br-C interactions. | |
| 537584.8 298.6 | |
| E = ----------- - ----------- | |
| Br, NA 12 6 | |
| r r | |
| Calculating energies for Br-NA interactions. | |
| 376097.6 264.1 | |
| E = ----------- - ----------- | |
| Br, OA 12 6 | |
| r r | |
| Calculating energies for Br-OA interactions. | |
| 537584.8 298.6 | |
| E = ----------- - ----------- | |
| Br, N 12 6 | |
| r r | |
| Calculating energies for Br-N interactions. | |
| 1263283.7 484.0 | |
| E = ----------- - ----------- | |
| Br, SA 12 6 | |
| r r | |
| Calculating energies for Br-SA interactions. | |
| 14811.7 29.5 | |
| E = ----------- - ----------- | |
| Br, HD 12 6 | |
| r r | |
| Calculating energies for Br-HD interactions. | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 27370.73 | |
| 0.8 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8225.73 | |
| 0.9 1e+05 1e+05 1e+05 70181.16 1e+05 1e+05 2755.67 | |
| 1.0 75071.69 75071.69 36864.27 25776.00 36864.27 86685.32 1010.13 | |
| 1.1 29786.39 29786.39 14621.07 10219.87 14621.07 34394.36 399.34 | |
| 1.2 12620.20 12620.20 6191.32 4325.55 6191.32 14572.55 168.30 | |
| 1.3 5658.97 5658.97 2774.01 1936.74 2774.01 6534.42 74.90 | |
| 1.4 2665.96 2665.96 1305.40 910.53 1305.40 3078.38 34.91 | |
| 1.5 1311.50 1311.50 641.22 446.68 641.22 1514.39 16.93 | |
| 1.6 670.27 670.27 327.04 227.43 327.04 773.96 8.48 | |
| 1.7 354.30 354.30 172.41 119.62 172.41 409.11 4.36 | |
| 1.8 192.96 192.96 93.57 64.72 93.57 222.81 2.29 | |
| 1.9 107.90 107.90 52.08 35.88 52.08 124.59 1.22 | |
| 2.0 61.76 61.76 29.63 20.31 29.63 71.31 0.65 | |
| 2.1 36.08 36.08 17.18 11.69 17.18 41.66 0.35 | |
| 2.2 21.45 21.45 10.11 6.82 10.11 24.77 0.18 | |
| 2.3 12.95 12.95 6.03 4.01 6.03 14.95 0.09 | |
| 2.4 7.91 7.91 3.62 2.37 3.62 9.14 0.04 | |
| 2.5 4.88 4.88 2.18 1.40 2.18 5.63 0.01 | |
| 2.6 3.03 3.03 1.31 0.82 1.31 3.50 -0.00 | |
| 2.7 1.88 1.88 0.78 0.47 0.78 2.17 -0.01 | |
| 2.8 1.17 1.17 0.46 0.25 0.46 1.35 -0.01 | |
| 2.9 0.72 0.72 0.26 0.12 0.26 0.83 -0.01 | |
| 3.0 0.43 0.43 0.13 0.05 0.13 0.50 -0.01 | |
| 3.1 0.25 0.25 0.06 0.00 0.06 0.29 -0.01 | |
| 3.2 0.14 0.14 0.01 -0.02 0.01 0.16 -0.01 | |
| 3.3 0.06 0.06 -0.01 -0.04 -0.01 0.07 -0.01 | |
| 3.4 0.02 0.02 -0.03 -0.04 -0.03 0.02 -0.01 | |
| 3.5 -0.01 -0.01 -0.04 -0.05 -0.04 -0.01 -0.01 | |
| 3.6 -0.03 -0.03 -0.04 -0.05 -0.04 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.04 -0.05 -0.04 -0.04 -0.01 | |
| 3.8 -0.04 -0.04 -0.04 -0.05 -0.04 -0.04 -0.01 | |
| 3.9 -0.04 -0.04 -0.04 -0.05 -0.04 -0.05 -0.01 | |
| 4.0 -0.04 -0.04 -0.04 -0.05 -0.04 -0.05 -0.01 | |
| 4.1 -0.04 -0.04 -0.04 -0.05 -0.04 -0.05 -0.01 | |
| 4.2 -0.04 -0.04 -0.04 -0.04 -0.04 -0.05 -0.01 | |
| 4.3 -0.04 -0.04 -0.04 -0.04 -0.04 -0.05 -0.01 | |
| 4.4 -0.04 -0.04 -0.04 -0.04 -0.04 -0.05 -0.01 | |
| 4.5 -0.04 -0.04 -0.04 -0.03 -0.04 -0.05 -0.00 | |
| 4.6 -0.04 -0.04 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.7 -0.04 -0.04 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.8 -0.03 -0.03 -0.03 -0.02 -0.03 -0.04 -0.00 | |
| 4.9 -0.03 -0.03 -0.02 -0.02 -0.02 -0.04 -0.00 | |
| 5.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| EnergyTable: | |
| Finding the lowest pairwise interaction energy within 0.5 Angstrom ("smoothing"). | |
| r A C NA OA N SA HD | |
| ___ ________ ________ ________ ________ ________ ________ ________ | |
| 0.0 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.1 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.2 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.3 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.4 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.5 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.6 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 | |
| 0.7 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 27370.73 | |
| 0.8 1e+05 1e+05 1e+05 1e+05 1e+05 1e+05 8225.73 | |
| 0.9 1e+05 1e+05 1e+05 70181.16 1e+05 1e+05 2755.67 | |
| 1.0 75071.69 75071.69 36864.27 25776.00 36864.27 86685.32 1010.13 | |
| 1.1 29786.39 29786.39 14621.07 10219.87 14621.07 34394.36 399.34 | |
| 1.2 12620.20 12620.20 6191.32 4325.55 6191.32 14572.55 168.30 | |
| 1.3 5658.97 5658.97 2774.01 1936.74 2774.01 6534.42 74.90 | |
| 1.4 2665.96 2665.96 1305.40 910.53 1305.40 3078.38 34.91 | |
| 1.5 1311.50 1311.50 641.22 446.68 641.22 1514.39 16.93 | |
| 1.6 670.27 670.27 327.04 227.43 327.04 773.96 8.48 | |
| 1.7 354.30 354.30 172.41 119.62 172.41 409.11 4.36 | |
| 1.8 192.96 192.96 93.57 64.72 93.57 222.81 2.29 | |
| 1.9 107.90 107.90 52.08 35.88 52.08 124.59 1.22 | |
| 2.0 61.76 61.76 29.63 20.31 29.63 71.31 0.65 | |
| 2.1 36.08 36.08 17.18 11.69 17.18 41.66 0.35 | |
| 2.2 21.45 21.45 10.11 6.82 10.11 24.77 0.18 | |
| 2.3 12.95 12.95 6.03 4.01 6.03 14.95 0.09 | |
| 2.4 7.91 7.91 3.62 2.37 3.62 9.14 0.04 | |
| 2.5 4.88 4.88 2.18 1.40 2.18 5.63 0.01 | |
| 2.6 3.03 3.03 1.31 0.82 1.31 3.50 -0.00 | |
| 2.7 1.88 1.88 0.78 0.47 0.78 2.17 -0.01 | |
| 2.8 1.17 1.17 0.46 0.25 0.46 1.35 -0.01 | |
| 2.9 0.72 0.72 0.26 0.12 0.26 0.83 -0.01 | |
| 3.0 0.43 0.43 0.13 0.05 0.13 0.50 -0.01 | |
| 3.1 0.25 0.25 0.06 0.00 0.06 0.29 -0.01 | |
| 3.2 0.14 0.14 0.01 -0.02 0.01 0.16 -0.01 | |
| 3.3 0.06 0.06 -0.01 -0.04 -0.01 0.07 -0.01 | |
| 3.4 0.02 0.02 -0.03 -0.04 -0.03 0.02 -0.01 | |
| 3.5 -0.01 -0.01 -0.04 -0.05 -0.04 -0.01 -0.01 | |
| 3.6 -0.03 -0.03 -0.04 -0.05 -0.04 -0.03 -0.01 | |
| 3.7 -0.03 -0.03 -0.04 -0.05 -0.04 -0.04 -0.01 | |
| 3.8 -0.04 -0.04 -0.04 -0.05 -0.04 -0.04 -0.01 | |
| 3.9 -0.04 -0.04 -0.04 -0.05 -0.04 -0.05 -0.01 | |
| 4.0 -0.04 -0.04 -0.04 -0.05 -0.04 -0.05 -0.01 | |
| 4.1 -0.04 -0.04 -0.04 -0.05 -0.04 -0.05 -0.01 | |
| 4.2 -0.04 -0.04 -0.04 -0.04 -0.04 -0.05 -0.01 | |
| 4.3 -0.04 -0.04 -0.04 -0.04 -0.04 -0.05 -0.01 | |
| 4.4 -0.04 -0.04 -0.04 -0.04 -0.04 -0.05 -0.01 | |
| 4.5 -0.04 -0.04 -0.04 -0.03 -0.04 -0.05 -0.00 | |
| 4.6 -0.04 -0.04 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.7 -0.04 -0.04 -0.03 -0.03 -0.03 -0.04 -0.00 | |
| 4.8 -0.03 -0.03 -0.03 -0.02 -0.03 -0.04 -0.00 | |
| 4.9 -0.03 -0.03 -0.02 -0.02 -0.02 -0.04 -0.00 | |
| 5.0 -0.03 -0.03 -0.02 -0.02 -0.02 -0.03 -0.00 | |
| Beginning grid calculations. | |
| Calculating 13 grids over 274625 elements, around 3060 receptor atoms. | |
| Percent Estimated Time Time/this plane | |
| XY-plane Z-coord Done Remaining Real, User, System | |
| /Ang /sec /sec | |
| ________ ________ ________ ______________ __________________________ | |
| -32 -7.460 1.5% 5.76s Real= 0.09, CPU= 0.08, System= 0.00 | |
| -31 -7.085 3.1% 5.04s Real= 0.08, CPU= 0.09, System= 0.00 | |
| -30 -6.710 4.6% 5.58s Real= 0.09, CPU= 0.08, System= 0.00 | |
| -29 -6.335 6.2% 4.88s Real= 0.08, CPU= 0.09, System= 0.00 | |
| -28 -5.960 7.7% 5.40s Real= 0.09, CPU= 0.08, System= 0.00 | |
| -27 -5.585 9.2% 4.72s Real= 0.08, CPU= 0.09, System= 0.00 | |
| -26 -5.210 10.8% 5.22s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -25 -4.835 12.3% 5.13s Real= 0.09, CPU= 0.08, System= 0.00 | |
| -24 -4.460 13.8% 4.48s Real= 0.08, CPU= 0.09, System= 0.00 | |
| -23 -4.085 15.4% 4.95s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -22 -3.710 16.9% 4.86s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -21 -3.335 18.5% 5.30s Real= 0.10, CPU= 0.09, System= 0.00 | |
| -20 -2.960 20.0% 4.68s Real= 0.09, CPU= 0.10, System= 0.00 | |
| -19 -2.585 21.5% 4.59s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -18 -2.210 23.1% 4.50s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -17 -1.835 24.6% 4.41s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -16 -1.460 26.2% 4.32s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -15 -1.085 27.7% 4.23s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -14 -0.710 29.2% 4.14s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -13 -0.335 30.8% 4.05s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -12 0.040 32.3% 4.40s Real= 0.10, CPU= 0.09, System= 0.00 | |
| -11 0.415 33.8% 3.87s Real= 0.09, CPU= 0.10, System= 0.00 | |
| -10 0.790 35.4% 3.78s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -9 1.165 36.9% 3.69s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -8 1.540 38.5% 4.00s Real= 0.10, CPU= 0.09, System= 0.00 | |
| -7 1.915 40.0% 3.51s Real= 0.09, CPU= 0.10, System= 0.00 | |
| -6 2.290 41.5% 3.42s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -5 2.665 43.1% 3.70s Real= 0.10, CPU= 0.10, System= 0.00 | |
| -4 3.040 44.6% 3.24s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -3 3.415 46.2% 3.85s Real= 0.11, CPU= 0.10, System= 0.00 | |
| -2 3.790 47.7% 3.06s Real= 0.09, CPU= 0.09, System= 0.00 | |
| -1 4.165 49.2% 3.30s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 0 4.540 50.8% 2.88s Real= 0.09, CPU= 0.09, System= 0.01 | |
| 1 4.915 52.3% 3.10s Real= 0.10, CPU= 0.09, System= 0.00 | |
| 2 5.290 53.8% 2.70s Real= 0.09, CPU= 0.10, System= 0.00 | |
| 3 5.665 55.4% 2.90s Real= 0.10, CPU= 0.09, System= 0.00 | |
| 4 6.040 56.9% 2.80s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 5 6.415 58.5% 2.43s Real= 0.09, CPU= 0.10, System= 0.00 | |
| 6 6.790 60.0% 2.60s Real= 0.10, CPU= 0.09, System= 0.00 | |
| 7 7.165 61.5% 2.50s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 8 7.540 63.1% 2.40s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 9 7.915 64.6% 2.53s Real= 0.11, CPU= 0.11, System= 0.00 | |
| 10 8.290 66.2% 2.20s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 11 8.665 67.7% 2.10s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 12 9.040 69.2% 2.20s Real= 0.11, CPU= 0.10, System= 0.00 | |
| 13 9.415 70.8% 1.90s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 14 9.790 72.3% 1.80s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 15 10.165 73.8% 1.70s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 16 10.540 75.4% 1.60s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 17 10.915 76.9% 1.95s Real= 0.13, CPU= 0.12, System= 0.00 | |
| 18 11.290 78.5% 1.54s Real= 0.11, CPU= 0.11, System= 0.00 | |
| 19 11.665 80.0% 1.30s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 20 12.040 81.5% 1.20s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 21 12.415 83.1% 1.21s Real= 0.11, CPU= 0.11, System= 0.00 | |
| 22 12.790 84.6% 1.00s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 23 13.165 86.2% 0.90s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 24 13.540 87.7% 0.80s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 25 13.915 89.2% 0.70s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 26 14.290 90.8% 0.60s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 27 14.665 92.3% 0.50s Real= 0.10, CPU= 0.09, System= 0.00 | |
| 28 15.040 93.8% 0.40s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 29 15.415 95.4% 0.30s Real= 0.10, CPU= 0.10, System= 0.00 | |
| 30 15.790 96.9% 0.18s Real= 0.09, CPU= 0.10, System= 0.00 | |
| 31 16.165 98.5% 0.11s Real= 0.11, CPU= 0.11, System= 0.00 | |
| 32 16.540 100.0% 0.00s Real= 0.11, CPU= 0.10, System= 0.00 | |
| Grid Atom Minimum Maximum | |
| Map Type Energy Energy | |
| (kcal/mol) (kcal/mol) | |
| ____ ____ _____________ _____________ | |
| 1 A -0.97 2.02e+05 | |
| 2 C -1.09 2.02e+05 | |
| 3 F -0.65 2.00e+05 | |
| 4 N -1.06 2.00e+05 | |
| 5 NA -1.28 2.00e+05 | |
| 6 Cl -1.42 2.04e+05 | |
| 7 OA -1.55 2.00e+05 | |
| 8 HD -0.71 1.09e+05 | |
| 9 S -1.34 2.02e+05 | |
| 10 SA -1.31 2.02e+05 | |
| 11 Br -1.68 2.11e+05 | |
| 12 e -36.19 1.85e+01 Electrostatic Potential | |
| 13 d 0.00 1.57e+00 Desolvation Potential | |
| * Note: Every pairwise-atomic interaction was clamped at 100000.00 | |
| autogrid4: Successful Completion. | |
| Real= 6.30s, CPU= 6.23s, System= 0.01s | |