USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot -145:sc= 0.564 USER MOD Set 1.2: A 10 CYS SG : rot 12:sc= 0.783 USER MOD Set 1.3: A 28 CYS SG : rot -129:sc= 0.949 USER MOD Set 1.4: A 31 CYS SG : rot 82:sc= -0.645 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= -0.0263 USER MOD Set 2.2: A 14 THR OG1 : rot -169:sc= 0.926 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 73:sc= -0.366 USER MOD Single : A 9 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.091) USER MOD Single : A 11 GLN : amide:sc= -5.81! K(o=-5.8!,f=-2.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -138:sc= 1.06 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 21 SER OG : rot 180:sc= -0.177 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -4.1! C(o=-4.1!,f=-12!) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0616) USER MOD Single : A 38 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 ASN : amide:sc= -1.63! C(o=-1.6!,f=-7.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000715 USER MOD Single : A 46 MET CE :methyl -127:sc= -0.105 (180deg=-0.972) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.82! C(o=-1.8!,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 55 ASN : amide:sc= -1.45 K(o=-1.4,f=-9.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.340 9.199 14.475 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.127 8.692 15.635 1.00 0.00 C ATOM 1070 C ALA A 3 -8.624 8.837 15.352 1.00 0.00 C ATOM 1071 O ALA A 3 -9.151 9.931 15.283 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.764 9.493 16.890 1.00 0.00 C ATOM 0 HA ALA A 3 -6.892 7.639 15.793 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.340 9.122 17.738 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.700 9.382 17.098 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.994 10.546 16.729 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.315 7.738 15.204 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.782 7.801 14.944 1.00 0.00 C ATOM 1080 C GLY A 4 -11.054 7.932 13.441 1.00 0.00 C ATOM 1081 O GLY A 4 -12.184 7.845 13.004 1.00 0.00 O ATOM 0 H GLY A 4 -8.925 6.797 15.252 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.265 6.903 15.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.215 8.649 15.474 1.00 0.00 H new ATOM 1085 N THR A 5 -10.042 8.169 12.645 1.00 0.00 N ATOM 1086 CA THR A 5 -10.290 8.328 11.179 1.00 0.00 C ATOM 1087 C THR A 5 -10.673 6.987 10.551 1.00 0.00 C ATOM 1088 O THR A 5 -9.915 6.039 10.557 1.00 0.00 O ATOM 1089 CB THR A 5 -9.045 8.865 10.477 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.500 9.939 11.228 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.425 9.357 9.072 1.00 0.00 C ATOM 0 H THR A 5 -9.070 8.258 12.940 1.00 0.00 H new ATOM 0 HA THR A 5 -11.110 9.036 11.056 1.00 0.00 H new ATOM 0 HB THR A 5 -8.302 8.071 10.396 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.700 10.281 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.538 9.741 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.839 8.529 8.496 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.168 10.150 9.153 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.853 6.925 9.997 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.342 5.679 9.333 1.00 0.00 C ATOM 1101 C VAL A 6 -12.643 6.014 7.874 1.00 0.00 C ATOM 1102 O VAL A 6 -13.123 7.088 7.572 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.620 5.203 10.021 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.325 4.929 11.496 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.693 6.288 9.906 1.00 0.00 C ATOM 0 H VAL A 6 -12.514 7.702 9.976 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.592 4.891 9.397 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.976 4.290 9.544 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.234 4.589 11.992 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.558 4.159 11.577 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.972 5.844 11.973 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.606 5.950 10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.340 7.201 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.898 6.487 8.854 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.376 5.126 6.958 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.661 5.429 5.533 1.00 0.00 C ATOM 1117 C CYS A 7 -14.155 5.242 5.259 1.00 0.00 C ATOM 1118 O CYS A 7 -14.738 4.224 5.579 1.00 0.00 O ATOM 1119 CB CYS A 7 -11.833 4.482 4.667 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.369 4.542 2.942 1.00 0.00 S ATOM 0 H CYS A 7 -11.974 4.206 7.136 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.397 6.461 5.300 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -10.779 4.752 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -11.926 3.464 5.045 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.259 3.360 2.412 1.00 0.00 H new ATOM 1125 N SER A 8 -14.780 6.241 4.706 1.00 0.00 N ATOM 1126 CA SER A 8 -16.245 6.174 4.443 1.00 0.00 C ATOM 1127 C SER A 8 -16.628 5.037 3.485 1.00 0.00 C ATOM 1128 O SER A 8 -17.637 4.390 3.679 1.00 0.00 O ATOM 1129 CB SER A 8 -16.695 7.508 3.855 1.00 0.00 C ATOM 1130 OG SER A 8 -16.520 8.521 4.834 1.00 0.00 O ATOM 0 H SER A 8 -14.334 7.113 4.421 1.00 0.00 H new ATOM 0 HA SER A 8 -16.744 5.971 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.115 7.742 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.740 7.453 3.551 1.00 0.00 H new ATOM 0 HG SER A 8 -15.565 8.710 4.942 1.00 0.00 H new ATOM 1136 N ASN A 9 -15.871 4.777 2.448 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.282 3.678 1.527 1.00 0.00 C ATOM 1138 C ASN A 9 -15.912 2.342 2.151 1.00 0.00 C ATOM 1139 O ASN A 9 -16.658 1.387 2.066 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.561 3.837 0.192 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.181 5.000 -0.586 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.542 6.008 -0.812 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.412 4.900 -1.009 1.00 0.00 N ATOM 0 H ASN A 9 -15.009 5.265 2.205 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.359 3.719 1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.500 4.022 0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -15.637 2.916 -0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.837 5.668 -1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.949 4.054 -0.820 1.00 0.00 H new ATOM 1150 N CYS A 10 -14.769 2.267 2.794 1.00 0.00 N ATOM 1151 CA CYS A 10 -14.356 0.992 3.447 1.00 0.00 C ATOM 1152 C CYS A 10 -13.905 1.305 4.875 1.00 0.00 C ATOM 1153 O CYS A 10 -12.769 1.551 5.156 1.00 0.00 O ATOM 1154 CB CYS A 10 -13.282 0.265 2.606 1.00 0.00 C ATOM 1155 SG CYS A 10 -11.606 0.879 2.937 1.00 0.00 S ATOM 0 H CYS A 10 -14.107 3.037 2.892 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.195 0.298 3.504 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.322 -0.804 2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.509 0.390 1.547 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.622 1.637 3.993 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.878 1.287 5.743 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.740 1.576 7.224 1.00 0.00 C ATOM 1162 C GLN A 11 -13.428 1.044 7.865 1.00 0.00 C ATOM 1163 O GLN A 11 -13.398 0.726 9.036 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.938 0.922 7.934 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.228 1.624 9.265 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.845 2.996 8.994 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.773 3.116 8.219 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -16.368 4.045 9.605 1.00 0.00 N ATOM 0 H GLN A 11 -15.837 1.068 5.474 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.711 2.659 7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.818 0.970 7.292 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.730 -0.133 8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.908 1.020 9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.308 1.734 9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.589 3.946 10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.774 4.965 9.432 1.00 0.00 H new ATOM 1177 N THR A 12 -12.360 0.943 7.140 1.00 0.00 N ATOM 1178 CA THR A 12 -11.094 0.442 7.735 1.00 0.00 C ATOM 1179 C THR A 12 -10.492 1.519 8.636 1.00 0.00 C ATOM 1180 O THR A 12 -10.958 2.642 8.671 1.00 0.00 O ATOM 1181 CB THR A 12 -10.105 0.130 6.602 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.019 -0.625 7.120 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.572 1.426 5.968 1.00 0.00 C ATOM 0 H THR A 12 -12.305 1.187 6.151 1.00 0.00 H new ATOM 0 HA THR A 12 -11.293 -0.455 8.321 1.00 0.00 H new ATOM 0 HB THR A 12 -10.625 -0.442 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.387 -0.827 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.874 1.179 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.404 2.000 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.060 2.019 6.727 1.00 0.00 H new ATOM 1191 N SER A 13 -9.431 1.194 9.327 1.00 0.00 N ATOM 1192 CA SER A 13 -8.741 2.203 10.191 1.00 0.00 C ATOM 1193 C SER A 13 -7.256 2.164 9.833 1.00 0.00 C ATOM 1194 O SER A 13 -6.428 2.820 10.432 1.00 0.00 O ATOM 1195 CB SER A 13 -8.960 1.873 11.664 1.00 0.00 C ATOM 1196 OG SER A 13 -8.261 0.680 11.991 1.00 0.00 O ATOM 0 H SER A 13 -9.008 0.266 9.331 1.00 0.00 H new ATOM 0 HA SER A 13 -9.142 3.203 10.023 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.609 2.695 12.288 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.024 1.751 11.866 1.00 0.00 H new ATOM 0 HG SER A 13 -8.400 0.468 12.938 1.00 0.00 H new ATOM 1202 N THR A 14 -6.941 1.402 8.817 1.00 0.00 N ATOM 1203 CA THR A 14 -5.539 1.286 8.325 1.00 0.00 C ATOM 1204 C THR A 14 -5.501 1.854 6.910 1.00 0.00 C ATOM 1205 O THR A 14 -6.241 1.427 6.047 1.00 0.00 O ATOM 1206 CB THR A 14 -5.135 -0.190 8.287 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.114 -0.931 7.573 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.024 -0.722 9.716 1.00 0.00 C ATOM 0 H THR A 14 -7.616 0.842 8.296 1.00 0.00 H new ATOM 0 HA THR A 14 -4.854 1.826 8.979 1.00 0.00 H new ATOM 0 HB THR A 14 -4.172 -0.293 7.787 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.947 -1.890 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.736 -1.773 9.692 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.270 -0.152 10.259 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.986 -0.621 10.218 1.00 0.00 H new ATOM 1216 N THR A 15 -4.649 2.808 6.658 1.00 0.00 N ATOM 1217 CA THR A 15 -4.577 3.402 5.291 1.00 0.00 C ATOM 1218 C THR A 15 -3.154 3.858 5.006 1.00 0.00 C ATOM 1219 O THR A 15 -2.431 4.256 5.898 1.00 0.00 O ATOM 1220 CB THR A 15 -5.493 4.626 5.215 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.903 5.695 5.941 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.854 4.300 5.821 1.00 0.00 C ATOM 0 H THR A 15 -3.999 3.203 7.338 1.00 0.00 H new ATOM 0 HA THR A 15 -4.886 2.651 4.564 1.00 0.00 H new ATOM 0 HB THR A 15 -5.625 4.910 4.171 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.594 6.159 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.498 5.177 5.762 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.310 3.477 5.270 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.728 4.012 6.865 1.00 0.00 H new ATOM 1230 N THR A 16 -2.755 3.856 3.766 1.00 0.00 N ATOM 1231 CA THR A 16 -1.395 4.349 3.447 1.00 0.00 C ATOM 1232 C THR A 16 -1.451 5.880 3.422 1.00 0.00 C ATOM 1233 O THR A 16 -0.560 6.554 3.898 1.00 0.00 O ATOM 1234 CB THR A 16 -0.935 3.840 2.086 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.832 4.284 1.080 1.00 0.00 O ATOM 1236 CG2 THR A 16 -0.857 2.315 2.073 1.00 0.00 C ATOM 0 H THR A 16 -3.307 3.537 2.970 1.00 0.00 H new ATOM 0 HA THR A 16 -0.690 3.990 4.197 1.00 0.00 H new ATOM 0 HB THR A 16 0.061 4.237 1.888 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.532 3.956 0.206 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.527 1.976 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.148 1.980 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.841 1.899 2.288 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.522 6.433 2.888 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.668 7.924 2.852 1.00 0.00 C ATOM 1246 C LEU A 17 -4.154 8.271 3.055 1.00 0.00 C ATOM 1247 O LEU A 17 -5.017 7.734 2.390 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.179 8.485 1.491 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.521 9.861 1.683 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.230 9.723 2.532 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.203 10.475 0.297 1.00 0.00 C ATOM 0 H LEU A 17 -3.298 5.914 2.477 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.063 8.370 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.466 7.794 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.020 8.570 0.802 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.206 10.522 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.227 10.704 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.479 9.307 3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.471 9.060 2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.736 11.451 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.522 9.818 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.126 10.589 -0.271 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.460 9.169 3.956 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.888 9.546 4.176 1.00 0.00 C ATOM 1265 C TRP A 18 -6.297 10.585 3.123 1.00 0.00 C ATOM 1266 O TRP A 18 -5.638 11.588 2.940 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.047 10.158 5.579 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.129 9.074 6.616 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.189 8.836 7.558 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.187 8.088 6.838 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.598 7.770 8.341 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.820 7.276 7.938 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.415 7.819 6.201 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.635 6.240 8.392 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.240 6.771 6.658 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.849 5.986 7.751 1.00 0.00 C ATOM 0 H TRP A 18 -3.786 9.656 4.547 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.519 8.661 4.092 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.203 10.814 5.795 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.946 10.773 5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.269 9.388 7.680 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.060 7.395 9.122 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.726 8.419 5.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.329 5.638 9.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.179 6.572 6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.486 5.185 8.097 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.374 10.340 2.422 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.842 11.290 1.361 1.00 0.00 C ATOM 1289 C ARG A 19 -9.189 11.922 1.748 1.00 0.00 C ATOM 1290 O ARG A 19 -10.173 11.235 1.891 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.043 10.490 0.057 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.705 10.292 -0.680 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.329 11.563 -1.457 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.424 11.208 -2.605 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.309 10.541 -2.432 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.857 10.291 -1.236 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.614 10.164 -3.471 1.00 0.00 N ATOM 0 H ARG A 19 -7.958 9.512 2.539 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.102 12.080 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.484 9.520 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.745 11.014 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.920 10.050 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.781 9.448 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.229 12.053 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.831 12.271 -0.795 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.686 11.495 -3.548 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.372 10.616 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.988 9.771 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.939 10.389 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.746 9.645 -3.343 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.266 13.218 1.881 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.589 13.832 2.202 1.00 0.00 C ATOM 1313 C ARG A 20 -11.452 13.713 0.937 1.00 0.00 C ATOM 1314 O ARG A 20 -10.957 13.860 -0.163 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.403 15.310 2.570 1.00 0.00 C ATOM 1316 CG ARG A 20 -11.714 15.904 3.115 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.905 15.533 4.590 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.030 16.327 5.157 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.593 15.950 6.272 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.177 14.870 6.876 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.571 16.648 6.781 1.00 0.00 N ATOM 0 H ARG A 20 -8.487 13.869 1.784 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.060 13.330 3.047 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.615 15.408 3.317 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.081 15.871 1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.700 16.988 3.006 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.557 15.536 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.113 14.467 4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.989 15.729 5.148 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.360 17.163 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.414 14.324 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.615 14.572 7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.897 17.490 6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.010 16.351 7.653 1.00 0.00 H new ATOM 1335 N SER A 21 -12.726 13.435 1.066 1.00 0.00 N ATOM 1336 CA SER A 21 -13.588 13.295 -0.159 1.00 0.00 C ATOM 1337 C SER A 21 -14.205 14.659 -0.520 1.00 0.00 C ATOM 1338 O SER A 21 -14.369 15.500 0.335 1.00 0.00 O ATOM 1339 CB SER A 21 -14.696 12.270 0.125 1.00 0.00 C ATOM 1340 OG SER A 21 -14.181 10.958 -0.058 1.00 0.00 O ATOM 0 H SER A 21 -13.207 13.299 1.955 1.00 0.00 H new ATOM 0 HA SER A 21 -12.984 12.953 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.065 12.389 1.144 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.542 12.437 -0.542 1.00 0.00 H new ATOM 0 HG SER A 21 -14.886 10.302 0.124 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.551 14.886 -1.774 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.173 16.181 -2.178 1.00 0.00 C ATOM 1348 C PRO A 22 -16.325 16.596 -1.244 1.00 0.00 C ATOM 1349 O PRO A 22 -16.647 17.761 -1.113 1.00 0.00 O ATOM 1350 CB PRO A 22 -15.703 15.861 -3.593 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.089 14.524 -4.055 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.337 13.895 -2.871 1.00 0.00 C ATOM 0 HA PRO A 22 -14.474 17.016 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.791 15.795 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.438 16.659 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -15.870 13.851 -4.408 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.409 14.689 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.737 12.915 -2.613 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.278 13.759 -3.091 1.00 0.00 H new ATOM 1360 N MET A 23 -16.951 15.637 -0.610 1.00 0.00 N ATOM 1361 CA MET A 23 -18.092 15.942 0.306 1.00 0.00 C ATOM 1362 C MET A 23 -17.565 16.169 1.724 1.00 0.00 C ATOM 1363 O MET A 23 -18.252 16.684 2.583 1.00 0.00 O ATOM 1364 CB MET A 23 -19.047 14.747 0.300 1.00 0.00 C ATOM 1365 CG MET A 23 -19.625 14.572 -1.106 1.00 0.00 C ATOM 1366 SD MET A 23 -20.740 13.148 -1.133 1.00 0.00 S ATOM 1367 CE MET A 23 -21.131 13.205 -2.899 1.00 0.00 C ATOM 0 H MET A 23 -16.718 14.647 -0.689 1.00 0.00 H new ATOM 0 HA MET A 23 -18.611 16.841 -0.027 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.519 13.843 0.604 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.850 14.905 1.019 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.162 15.473 -1.404 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.819 14.429 -1.826 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.820 12.397 -3.145 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.593 14.163 -3.139 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.215 13.089 -3.478 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.346 15.775 1.969 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.742 15.945 3.324 1.00 0.00 C ATOM 1379 C GLY A 24 -15.819 14.619 4.080 1.00 0.00 C ATOM 1380 O GLY A 24 -15.712 14.579 5.289 1.00 0.00 O ATOM 0 H GLY A 24 -15.734 15.337 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.704 16.266 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.270 16.723 3.876 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.007 13.528 3.379 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.096 12.197 4.050 1.00 0.00 C ATOM 1386 C ASP A 25 -14.709 11.513 4.035 1.00 0.00 C ATOM 1387 O ASP A 25 -14.227 11.150 2.981 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.067 11.324 3.252 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.345 12.110 2.958 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.589 13.087 3.644 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.060 11.718 2.049 1.00 0.00 O ATOM 0 H ASP A 25 -16.103 13.504 2.364 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.434 12.324 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.602 11.005 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.305 10.421 3.814 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.057 11.315 5.168 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.719 10.644 5.171 1.00 0.00 C ATOM 1398 C PRO A 26 -12.697 9.322 4.373 1.00 0.00 C ATOM 1399 O PRO A 26 -13.515 8.448 4.583 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.508 10.391 6.674 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.403 11.377 7.432 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.572 11.736 6.507 1.00 0.00 C ATOM 0 HA PRO A 26 -11.943 11.242 4.692 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.765 9.363 6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.462 10.535 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.768 10.931 8.357 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.843 12.270 7.708 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.484 11.204 6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.803 12.801 6.538 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.732 9.159 3.494 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.609 7.875 2.718 1.00 0.00 C ATOM 1412 C VAL A 27 -10.140 7.466 2.666 1.00 0.00 C ATOM 1413 O VAL A 27 -9.253 8.295 2.730 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.173 7.996 1.291 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.700 7.860 1.330 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.783 9.341 0.678 1.00 0.00 C ATOM 0 H VAL A 27 -11.023 9.860 3.279 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.199 7.114 3.229 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.755 7.200 0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.099 7.946 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.968 6.888 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.120 8.649 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.189 9.412 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.185 10.149 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.697 9.422 0.639 1.00 0.00 H new ATOM 1426 N CYS A 28 -9.869 6.195 2.537 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.458 5.745 2.468 1.00 0.00 C ATOM 1428 C CYS A 28 -7.942 6.023 1.057 1.00 0.00 C ATOM 1429 O CYS A 28 -8.703 6.334 0.163 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.365 4.247 2.793 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.065 3.270 1.441 1.00 0.00 S ATOM 0 H CYS A 28 -10.566 5.453 2.477 1.00 0.00 H new ATOM 0 HA CYS A 28 -7.851 6.282 3.197 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.324 3.966 2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.899 4.035 3.719 1.00 0.00 H new ATOM 0 HG CYS A 28 -9.926 2.421 1.919 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.660 5.971 0.860 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.102 6.294 -0.483 1.00 0.00 C ATOM 1438 C ASN A 29 -6.744 5.431 -1.578 1.00 0.00 C ATOM 1439 O ASN A 29 -7.035 5.910 -2.655 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.594 6.053 -0.475 1.00 0.00 C ATOM 1441 CG ASN A 29 -3.993 6.581 -1.776 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.633 6.556 -2.809 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.784 7.071 -1.771 1.00 0.00 N ATOM 0 H ASN A 29 -5.971 5.719 1.569 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.319 7.340 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.138 6.554 0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.385 4.989 -0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.377 7.433 -2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.246 7.093 -0.905 1.00 0.00 H new ATOM 1450 N ALA A 30 -6.948 4.168 -1.334 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.548 3.300 -2.390 1.00 0.00 C ATOM 1452 C ALA A 30 -8.941 3.804 -2.795 1.00 0.00 C ATOM 1453 O ALA A 30 -9.185 4.108 -3.945 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.665 1.878 -1.858 1.00 0.00 C ATOM 0 H ALA A 30 -6.728 3.699 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.903 3.327 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.103 1.238 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.675 1.505 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.301 1.872 -0.973 1.00 0.00 H new ATOM 1460 N CYS A 31 -9.863 3.870 -1.870 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.243 4.326 -2.222 1.00 0.00 C ATOM 1462 C CYS A 31 -11.212 5.739 -2.784 1.00 0.00 C ATOM 1463 O CYS A 31 -11.926 6.063 -3.701 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.129 4.350 -0.982 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.284 2.696 -0.275 1.00 0.00 S ATOM 0 H CYS A 31 -9.722 3.629 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.637 3.629 -2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.708 5.029 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.116 4.734 -1.242 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.245 2.440 0.463 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.411 6.593 -2.230 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.379 7.989 -2.736 1.00 0.00 C ATOM 1472 C GLY A 32 -10.066 7.989 -4.232 1.00 0.00 C ATOM 1473 O GLY A 32 -10.747 8.619 -5.017 1.00 0.00 O ATOM 0 H GLY A 32 -9.780 6.391 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.339 8.473 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.626 8.564 -2.197 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.040 7.294 -4.633 1.00 0.00 N ATOM 1478 CA LEU A 33 -8.681 7.261 -6.080 1.00 0.00 C ATOM 1479 C LEU A 33 -9.776 6.572 -6.893 1.00 0.00 C ATOM 1480 O LEU A 33 -10.246 7.099 -7.881 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.386 6.472 -6.253 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.246 7.156 -5.491 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.036 6.219 -5.467 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -5.868 8.483 -6.178 1.00 0.00 C ATOM 0 H LEU A 33 -8.433 6.747 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.563 8.286 -6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.520 5.454 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.134 6.399 -7.311 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.567 7.373 -4.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.218 6.695 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.306 5.288 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.721 6.005 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.057 8.960 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.545 8.285 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.734 9.145 -6.193 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.184 5.401 -6.500 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.240 4.702 -7.276 1.00 0.00 C ATOM 1498 C TYR A 34 -12.516 5.550 -7.297 1.00 0.00 C ATOM 1499 O TYR A 34 -13.156 5.699 -8.318 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.539 3.327 -6.662 1.00 0.00 C ATOM 1501 CG TYR A 34 -12.782 2.772 -7.314 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.034 3.151 -6.826 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.687 1.918 -8.418 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.194 2.679 -7.439 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.854 1.440 -9.029 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.107 1.823 -8.539 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.258 1.361 -9.143 1.00 0.00 O ATOM 0 H TYR A 34 -9.835 4.901 -5.682 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.885 4.558 -8.296 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.697 2.652 -6.816 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.683 3.416 -5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.104 3.810 -5.973 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.718 1.628 -8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.162 2.976 -7.062 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.786 0.776 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.022 0.777 -9.894 1.00 0.00 H new ATOM 1517 N TYR A 35 -12.900 6.091 -6.177 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.142 6.906 -6.134 1.00 0.00 C ATOM 1519 C TYR A 35 -14.002 8.091 -7.091 1.00 0.00 C ATOM 1520 O TYR A 35 -14.895 8.421 -7.826 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.364 7.418 -4.705 1.00 0.00 C ATOM 1522 CG TYR A 35 -15.795 7.868 -4.553 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.163 9.143 -4.977 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.748 7.008 -3.993 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.490 9.570 -4.842 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.076 7.429 -3.858 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.448 8.713 -4.283 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.757 9.134 -4.151 1.00 0.00 O ATOM 0 H TYR A 35 -12.407 6.004 -5.289 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.994 6.296 -6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.140 6.630 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.686 8.245 -4.493 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.425 9.802 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.458 6.020 -3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.775 10.559 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.813 6.767 -3.428 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.291 8.419 -3.746 1.00 0.00 H new ATOM 1538 N LYS A 36 -12.888 8.737 -7.097 1.00 0.00 N ATOM 1539 CA LYS A 36 -12.727 9.890 -8.020 1.00 0.00 C ATOM 1540 C LYS A 36 -12.898 9.424 -9.471 1.00 0.00 C ATOM 1541 O LYS A 36 -13.566 10.062 -10.260 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.319 10.457 -7.828 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.065 11.606 -8.813 1.00 0.00 C ATOM 1544 CD LYS A 36 -9.705 12.262 -8.522 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.563 11.450 -9.160 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.512 11.726 -10.625 1.00 0.00 N ATOM 0 H LYS A 36 -12.081 8.525 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.478 10.651 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.200 10.814 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.580 9.670 -7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.084 11.229 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.860 12.347 -8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.696 13.280 -8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.552 12.331 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.612 11.714 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.718 10.385 -8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.644 11.315 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.341 11.302 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.515 12.754 -10.785 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.289 8.332 -9.834 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.402 7.843 -11.242 1.00 0.00 C ATOM 1562 C LEU A 37 -13.810 7.296 -11.546 1.00 0.00 C ATOM 1563 O LEU A 37 -14.339 7.524 -12.617 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.353 6.730 -11.469 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.025 7.324 -11.966 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.369 8.150 -10.856 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.090 6.180 -12.366 1.00 0.00 C ATOM 0 H LEU A 37 -11.717 7.754 -9.219 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.223 8.683 -11.913 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.188 6.185 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.730 6.012 -12.197 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.216 7.971 -12.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.429 8.566 -11.219 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.036 8.961 -10.564 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.174 7.512 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.144 6.590 -12.720 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.907 5.540 -11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.552 5.594 -13.160 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.401 6.542 -10.646 1.00 0.00 N ATOM 1580 CA HIS A 38 -15.754 5.938 -10.924 1.00 0.00 C ATOM 1581 C HIS A 38 -16.854 6.546 -10.039 1.00 0.00 C ATOM 1582 O HIS A 38 -18.021 6.312 -10.265 1.00 0.00 O ATOM 1583 CB HIS A 38 -15.677 4.433 -10.666 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.670 3.809 -11.596 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.043 3.171 -12.770 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.301 3.708 -11.535 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -13.921 2.717 -13.359 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -12.831 3.017 -12.648 1.00 0.00 N ATOM 0 H HIS A 38 -14.009 6.317 -9.732 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.013 6.148 -11.962 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.394 4.246 -9.630 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -16.656 3.978 -10.816 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.683 4.105 -10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.904 2.176 -14.293 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.862 2.789 -12.872 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.514 7.326 -9.051 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.539 7.961 -8.158 1.00 0.00 C ATOM 1598 C GLN A 39 -18.708 7.028 -7.817 1.00 0.00 C ATOM 1599 O GLN A 39 -19.861 7.413 -7.833 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.017 9.286 -8.761 1.00 0.00 C ATOM 1601 CG GLN A 39 -18.772 9.045 -10.074 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.371 10.364 -10.561 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.775 11.411 -10.402 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.534 10.359 -11.151 1.00 0.00 N ATOM 0 H GLN A 39 -15.549 7.558 -8.816 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.053 8.168 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.666 9.800 -8.052 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.162 9.938 -8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.096 8.639 -10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.561 8.308 -9.924 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.034 9.480 -11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.943 11.234 -11.479 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.404 5.821 -7.425 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.452 4.861 -6.990 1.00 0.00 C ATOM 1615 C VAL A 40 -18.899 4.107 -5.783 1.00 0.00 C ATOM 1616 O VAL A 40 -17.705 3.958 -5.632 1.00 0.00 O ATOM 1617 CB VAL A 40 -19.803 3.879 -8.106 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.571 4.610 -9.207 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.532 3.247 -8.682 1.00 0.00 C ATOM 0 H VAL A 40 -17.453 5.455 -7.388 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.366 5.397 -6.736 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.427 3.085 -7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.821 3.909 -10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.487 5.031 -8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -19.953 5.412 -9.611 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.800 2.550 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -17.889 4.028 -9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.002 2.713 -7.894 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.742 3.656 -4.903 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.232 2.938 -3.691 1.00 0.00 C ATOM 1631 C ASN A 41 -19.022 1.450 -4.006 1.00 0.00 C ATOM 1632 O ASN A 41 -19.891 0.794 -4.545 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.240 3.087 -2.550 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.527 2.340 -2.899 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.812 2.107 -4.057 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.321 1.952 -1.940 1.00 0.00 N ATOM 0 H ASN A 41 -20.756 3.749 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.277 3.372 -3.394 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.818 2.692 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.455 4.141 -2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.182 1.452 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.081 2.148 -0.968 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.863 0.915 -3.679 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.572 -0.532 -3.963 1.00 0.00 C ATOM 1645 C ARG A 42 -17.606 -1.345 -2.645 1.00 0.00 C ATOM 1646 O ARG A 42 -17.290 -0.819 -1.596 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.168 -0.635 -4.570 1.00 0.00 C ATOM 1648 CG ARG A 42 -16.158 -0.033 -5.986 1.00 0.00 C ATOM 1649 CD ARG A 42 -16.985 -0.900 -6.961 1.00 0.00 C ATOM 1650 NE ARG A 42 -18.305 -0.252 -7.196 1.00 0.00 N ATOM 1651 CZ ARG A 42 -19.062 -0.663 -8.176 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -18.652 -1.627 -8.954 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -20.226 -0.110 -8.381 1.00 0.00 N ATOM 0 H ARG A 42 -17.103 1.422 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.320 -0.928 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.451 -0.110 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.856 -1.679 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.564 0.978 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.132 0.046 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -16.451 -1.017 -7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -17.126 -1.899 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 42 -18.616 0.510 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.741 -2.058 -8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -19.242 -1.950 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -20.546 0.645 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -20.816 -0.433 -9.148 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.971 -2.619 -2.687 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.007 -3.460 -1.447 1.00 0.00 C ATOM 1669 C PRO A 43 -16.634 -3.578 -0.762 1.00 0.00 C ATOM 1670 O PRO A 43 -15.599 -3.483 -1.392 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.486 -4.830 -1.973 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.500 -4.781 -3.510 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.374 -3.311 -3.946 1.00 0.00 C ATOM 0 HA PRO A 43 -18.651 -3.032 -0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.824 -5.623 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.482 -5.056 -1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.678 -5.370 -3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.423 -5.214 -3.896 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.629 -3.186 -4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.316 -2.924 -4.335 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.632 -3.791 0.526 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.350 -3.927 1.278 1.00 0.00 C ATOM 1683 C LEU A 44 -14.578 -5.150 0.778 1.00 0.00 C ATOM 1684 O LEU A 44 -13.570 -5.532 1.339 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.660 -4.092 2.771 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.076 -2.735 3.364 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.521 -2.398 2.963 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.976 -2.788 4.893 1.00 0.00 C ATOM 0 H LEU A 44 -17.473 -3.878 1.096 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.742 -3.036 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.459 -4.821 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.784 -4.476 3.294 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.409 -1.965 2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.802 -1.435 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.595 -2.349 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.192 -3.171 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.271 -1.825 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.637 -3.567 5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.949 -3.010 5.183 1.00 0.00 H new ATOM 1700 N THR A 45 -15.039 -5.767 -0.272 1.00 0.00 N ATOM 1701 CA THR A 45 -14.325 -6.958 -0.803 1.00 0.00 C ATOM 1702 C THR A 45 -12.944 -6.535 -1.308 1.00 0.00 C ATOM 1703 O THR A 45 -12.090 -7.357 -1.571 1.00 0.00 O ATOM 1704 CB THR A 45 -15.136 -7.568 -1.949 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.477 -6.549 -2.880 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.412 -8.202 -1.391 1.00 0.00 C ATOM 0 H THR A 45 -15.879 -5.498 -0.785 1.00 0.00 H new ATOM 0 HA THR A 45 -14.207 -7.701 -0.014 1.00 0.00 H new ATOM 0 HB THR A 45 -14.542 -8.333 -2.449 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.995 -6.938 -3.616 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.989 -8.636 -2.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.148 -8.983 -0.677 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.008 -7.439 -0.890 1.00 0.00 H new ATOM 1714 N MET A 46 -12.716 -5.252 -1.444 1.00 0.00 N ATOM 1715 CA MET A 46 -11.382 -4.769 -1.929 1.00 0.00 C ATOM 1716 C MET A 46 -10.531 -4.369 -0.729 1.00 0.00 C ATOM 1717 O MET A 46 -9.320 -4.306 -0.793 1.00 0.00 O ATOM 1718 CB MET A 46 -11.588 -3.553 -2.836 1.00 0.00 C ATOM 1719 CG MET A 46 -12.171 -4.012 -4.173 1.00 0.00 C ATOM 1720 SD MET A 46 -10.911 -4.929 -5.101 1.00 0.00 S ATOM 1721 CE MET A 46 -9.829 -3.531 -5.513 1.00 0.00 C ATOM 0 H MET A 46 -13.394 -4.517 -1.241 1.00 0.00 H new ATOM 0 HA MET A 46 -10.880 -5.560 -2.487 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.260 -2.839 -2.359 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.640 -3.040 -2.997 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.044 -4.643 -4.004 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.507 -3.151 -4.750 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.652 -3.512 -6.588 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.306 -2.600 -5.207 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.878 -3.641 -4.991 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.175 -4.093 0.361 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.455 -3.683 1.593 1.00 0.00 C ATOM 1733 C ARG A 47 -9.951 -4.917 2.356 1.00 0.00 C ATOM 1734 O ARG A 47 -10.589 -5.950 2.382 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.431 -2.856 2.438 1.00 0.00 C ATOM 1736 CG ARG A 47 -10.982 -2.766 3.909 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.699 -3.822 4.761 1.00 0.00 C ATOM 1738 NE ARG A 47 -11.042 -3.902 6.095 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.632 -4.522 7.078 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -12.794 -5.086 6.890 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.061 -4.580 8.251 1.00 0.00 N ATOM 0 H ARG A 47 -12.190 -4.134 0.454 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.576 -3.085 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.512 -1.852 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.424 -3.303 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.904 -2.910 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.195 -1.771 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.751 -3.561 4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.663 -4.792 4.266 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.129 -3.471 6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.240 -5.042 5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -13.256 -5.571 7.659 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.153 -4.140 8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.523 -5.065 9.020 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.809 -4.798 2.990 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.237 -5.937 3.777 1.00 0.00 C ATOM 1757 C LYS A 48 -7.833 -5.416 5.163 1.00 0.00 C ATOM 1758 O LYS A 48 -7.514 -4.254 5.321 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.997 -6.477 3.061 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.362 -6.909 1.635 1.00 0.00 C ATOM 1761 CD LYS A 48 -8.240 -8.170 1.663 1.00 0.00 C ATOM 1762 CE LYS A 48 -8.213 -8.849 0.289 1.00 0.00 C ATOM 1763 NZ LYS A 48 -8.948 -10.143 0.361 1.00 0.00 N ATOM 0 H LYS A 48 -8.242 -3.950 2.996 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.975 -6.734 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.222 -5.711 3.031 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.588 -7.323 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.891 -6.102 1.128 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.454 -7.103 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.880 -8.859 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.264 -7.906 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.670 -8.200 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.183 -9.020 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.930 -10.605 -0.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.494 -10.762 1.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.934 -9.967 0.642 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.852 -6.254 6.170 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.475 -5.785 7.542 1.00 0.00 C ATOM 1779 C ASP A 49 -6.203 -4.938 7.471 1.00 0.00 C ATOM 1780 O ASP A 49 -6.249 -3.724 7.464 1.00 0.00 O ATOM 1781 CB ASP A 49 -7.205 -6.987 8.450 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.510 -7.730 8.736 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.923 -8.509 7.892 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -9.077 -7.506 9.792 1.00 0.00 O ATOM 0 H ASP A 49 -8.111 -7.238 6.103 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.297 -5.193 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.491 -7.659 7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.755 -6.653 9.385 1.00 0.00 H new ATOM 1789 N GLY A 50 -5.066 -5.576 7.421 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.784 -4.819 7.355 1.00 0.00 C ATOM 1791 C GLY A 50 -3.668 -4.142 5.989 1.00 0.00 C ATOM 1792 O GLY A 50 -4.562 -4.223 5.171 1.00 0.00 O ATOM 0 H GLY A 50 -4.969 -6.591 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.748 -4.072 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.942 -5.493 7.513 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.569 -3.483 5.729 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.392 -2.812 4.414 1.00 0.00 C ATOM 1798 C ILE A 51 -1.702 -3.765 3.437 1.00 0.00 C ATOM 1799 O ILE A 51 -0.797 -4.493 3.790 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.545 -1.554 4.602 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.195 -0.680 5.694 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.467 -0.781 3.277 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.713 0.768 5.577 1.00 0.00 C ATOM 0 H ILE A 51 -1.786 -3.382 6.375 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.366 -2.536 4.009 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.534 -1.824 4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.280 -0.717 5.600 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.947 -1.074 6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.862 0.116 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.012 -1.412 2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.471 -0.497 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.181 1.371 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.630 0.802 5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.984 1.164 4.598 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.109 -3.733 2.202 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.464 -4.603 1.183 1.00 0.00 C ATOM 1817 C GLN A 52 -0.145 -3.956 0.765 1.00 0.00 C ATOM 1818 O GLN A 52 0.013 -2.755 0.847 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.382 -4.743 -0.033 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.577 -5.625 0.326 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.491 -5.758 -0.892 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.350 -6.616 -0.931 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.342 -4.938 -1.897 1.00 0.00 N ATOM 0 H GLN A 52 -2.862 -3.141 1.853 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.280 -5.594 1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.726 -3.761 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.833 -5.179 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.234 -6.609 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.126 -5.191 1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.621 -4.217 -1.865 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.947 -5.018 -2.714 1.00 0.00 H new ATOM 1832 N THR A 53 0.814 -4.739 0.349 1.00 0.00 N ATOM 1833 CA THR A 53 2.133 -4.160 -0.054 1.00 0.00 C ATOM 1834 C THR A 53 2.663 -4.865 -1.297 1.00 0.00 C ATOM 1835 O THR A 53 2.311 -5.988 -1.599 1.00 0.00 O ATOM 1836 CB THR A 53 3.140 -4.329 1.081 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.458 -4.269 0.553 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.916 -5.676 1.758 1.00 0.00 C ATOM 0 H THR A 53 0.743 -5.753 0.270 1.00 0.00 H new ATOM 0 HA THR A 53 1.995 -3.101 -0.272 1.00 0.00 H new ATOM 0 HB THR A 53 3.008 -3.532 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.107 -4.375 1.280 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.634 -5.799 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.904 -5.717 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.050 -6.476 1.030 1.00 0.00 H new ATOM 1846 N ARG A 54 3.529 -4.195 -1.998 1.00 0.00 N ATOM 1847 CA ARG A 54 4.141 -4.768 -3.235 1.00 0.00 C ATOM 1848 C ARG A 54 5.580 -4.284 -3.353 1.00 0.00 C ATOM 1849 O ARG A 54 6.023 -3.420 -2.621 1.00 0.00 O ATOM 1850 CB ARG A 54 3.361 -4.320 -4.485 1.00 0.00 C ATOM 1851 CG ARG A 54 2.052 -5.114 -4.613 1.00 0.00 C ATOM 1852 CD ARG A 54 2.324 -6.534 -5.164 1.00 0.00 C ATOM 1853 NE ARG A 54 1.560 -7.517 -4.344 1.00 0.00 N ATOM 1854 CZ ARG A 54 1.476 -8.762 -4.721 1.00 0.00 C ATOM 1855 NH1 ARG A 54 2.135 -9.174 -5.765 1.00 0.00 N ATOM 1856 NH2 ARG A 54 0.753 -9.602 -4.032 1.00 0.00 N ATOM 0 H ARG A 54 3.848 -3.255 -1.765 1.00 0.00 H new ATOM 0 HA ARG A 54 4.109 -5.855 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.142 -3.254 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.972 -4.468 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.566 -5.183 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.365 -4.587 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.023 -6.598 -6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.390 -6.757 -5.125 1.00 0.00 H new ATOM 0 HE ARG A 54 1.101 -7.214 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.718 -8.522 -6.290 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.068 -10.149 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.255 -9.284 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.686 -10.577 -4.325 1.00 0.00 H new ATOM 1870 N ASN A 55 6.310 -4.831 -4.280 1.00 0.00 N ATOM 1871 CA ASN A 55 7.717 -4.398 -4.457 1.00 0.00 C ATOM 1872 C ASN A 55 7.724 -2.906 -4.784 1.00 0.00 C ATOM 1873 O ASN A 55 6.929 -2.423 -5.566 1.00 0.00 O ATOM 1874 CB ASN A 55 8.359 -5.181 -5.600 1.00 0.00 C ATOM 1875 CG ASN A 55 9.863 -4.917 -5.619 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.316 -3.880 -5.175 1.00 0.00 O ATOM 1877 ND2 ASN A 55 10.663 -5.819 -6.115 1.00 0.00 N ATOM 0 H ASN A 55 5.993 -5.558 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 55 8.284 -4.584 -3.545 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.168 -6.247 -5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.915 -4.886 -6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.670 -5.655 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.282 -6.689 -6.487 1.00 0.00 H new ATOM 1884 N ARG A 56 8.605 -2.174 -4.172 1.00 0.00 N ATOM 1885 CA ARG A 56 8.666 -0.708 -4.415 1.00 0.00 C ATOM 1886 C ARG A 56 8.943 -0.427 -5.893 1.00 0.00 C ATOM 1887 O ARG A 56 9.868 -0.962 -6.472 1.00 0.00 O ATOM 1888 CB ARG A 56 9.800 -0.121 -3.578 1.00 0.00 C ATOM 1889 CG ARG A 56 9.783 1.402 -3.679 1.00 0.00 C ATOM 1890 CD ARG A 56 10.920 1.966 -2.837 1.00 0.00 C ATOM 1891 NE ARG A 56 10.767 1.505 -1.429 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.769 1.600 -0.597 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.899 2.124 -0.986 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.637 1.175 0.631 1.00 0.00 N ATOM 0 H ARG A 56 9.292 -2.530 -3.508 1.00 0.00 H new ATOM 0 HA ARG A 56 7.713 -0.257 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.692 -0.427 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.758 -0.507 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.894 1.712 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.827 1.792 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.880 1.639 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.912 3.055 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 56 9.879 1.115 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.002 2.461 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.679 2.196 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.753 0.770 0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.418 1.248 1.283 1.00 0.00 H new ATOM 1908 N LYS A 57 8.147 0.412 -6.503 1.00 0.00 N ATOM 1909 CA LYS A 57 8.354 0.743 -7.944 1.00 0.00 C ATOM 1910 C LYS A 57 9.847 1.001 -8.191 1.00 0.00 C ATOM 1911 O LYS A 57 10.601 1.234 -7.267 1.00 0.00 O ATOM 1912 CB LYS A 57 7.545 2.001 -8.283 1.00 0.00 C ATOM 1913 CG LYS A 57 7.310 2.077 -9.794 1.00 0.00 C ATOM 1914 CD LYS A 57 6.907 3.499 -10.184 1.00 0.00 C ATOM 1915 CE LYS A 57 5.745 3.985 -9.307 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.023 5.083 -10.007 1.00 0.00 N ATOM 0 H LYS A 57 7.358 0.885 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 57 8.024 -0.084 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.590 1.982 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.078 2.889 -7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.215 1.786 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.529 1.375 -10.086 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.760 4.169 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.615 3.526 -11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.063 3.161 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.122 4.337 -8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.235 5.414 -9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.678 5.871 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.651 4.732 -10.913 1.00 0.00 H new ATOM 1930 N VAL A 58 10.285 0.951 -9.419 1.00 0.00 N ATOM 1931 CA VAL A 58 11.729 1.186 -9.698 1.00 0.00 C ATOM 1932 C VAL A 58 12.175 2.488 -9.031 1.00 0.00 C ATOM 1933 O VAL A 58 11.462 3.472 -9.039 1.00 0.00 O ATOM 1934 CB VAL A 58 11.931 1.290 -11.210 1.00 0.00 C ATOM 1935 CG1 VAL A 58 11.350 0.046 -11.885 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.220 2.537 -11.744 1.00 0.00 C ATOM 0 H VAL A 58 9.708 0.758 -10.238 1.00 0.00 H new ATOM 0 HA VAL A 58 12.321 0.361 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 58 12.997 1.363 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.492 0.117 -12.963 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.858 -0.842 -11.510 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.285 -0.024 -11.664 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.367 2.606 -12.822 1.00 0.00 H new ATOM 0 HG22 VAL A 58 10.154 2.469 -11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.632 3.424 -11.264 1.00 0.00 H new