_______________________________________________________ __________//____________________________/////_________________/________ _________/__/____________/_____________/______________/_______/________ ________/____/___________/_____________/______________________/________ ________/____/__/_____/_/////___/////__/__////_/_///__/__////_/________ _______/______/_/_____/__/_____/_____/_/_____/_//___/_/_/____//________ _______////////_/_____/__/_____/_____/_/_____/_/______/_/_____/________ _______/______/_/____//__/___/_/_____/_/_____/_/______/_/____//________ _______/______/__////_/___///___/////___/////__/______/__////_/________ _______________________________________________________ ______ / \ / \ / \ \ /\ / \ / \ / \/ /\ \/ / \ /____\ ______________________________________ | | | 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