USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=16 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 153:sc= 0.449 USER MOD Set 1.2: A 10 CYS SG : rot -52:sc= 0.0508 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.736 USER MOD Set 1.4: A 31 CYS SG : rot 145:sc= 0.138 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 85:sc= 0.217 USER MOD Single : A 9 ASN : amide:sc= -2.51! C(o=-2.5!,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= -1.01 K(o=-1,f=-0.0098) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 51:sc= 0.124 USER MOD Single : A 14 THR OG1 : rot 59:sc= 0.707 USER MOD Single : A 15 THR OG1 : rot -137:sc= 0.687 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 21 SER OG : rot 180:sc=-0.000614 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.67! K(o=-3.7!,f=-2.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.943 K(o=-0.94,f=-1.5) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -2.92 K(o=-2.9,f=-5.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 55 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.015) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -5.595 9.905 14.262 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.241 9.199 15.405 1.00 0.00 C ATOM 1070 C ALA A 3 -7.761 9.146 15.214 1.00 0.00 C ATOM 1071 O ALA A 3 -8.429 10.161 15.189 1.00 0.00 O ATOM 1072 CB ALA A 3 -5.931 9.964 16.694 1.00 0.00 C ATOM 0 HA ALA A 3 -5.855 8.181 15.458 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.398 9.458 17.539 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.852 10.001 16.845 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.322 10.979 16.618 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.315 7.967 15.120 1.00 0.00 N ATOM 1079 CA GLY A 4 -9.797 7.835 14.976 1.00 0.00 C ATOM 1080 C GLY A 4 -10.236 7.954 13.510 1.00 0.00 C ATOM 1081 O GLY A 4 -11.374 7.682 13.183 1.00 0.00 O ATOM 0 H GLY A 4 -7.804 7.085 15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.117 6.873 15.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.291 8.606 15.568 1.00 0.00 H new ATOM 1085 N THR A 5 -9.372 8.368 12.622 1.00 0.00 N ATOM 1086 CA THR A 5 -9.806 8.500 11.198 1.00 0.00 C ATOM 1087 C THR A 5 -10.192 7.127 10.654 1.00 0.00 C ATOM 1088 O THR A 5 -9.378 6.227 10.580 1.00 0.00 O ATOM 1089 CB THR A 5 -8.676 9.070 10.338 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.072 10.167 11.008 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.243 9.543 8.991 1.00 0.00 C ATOM 0 H THR A 5 -8.402 8.617 12.814 1.00 0.00 H new ATOM 0 HA THR A 5 -10.660 9.177 11.160 1.00 0.00 H new ATOM 0 HB THR A 5 -7.929 8.295 10.166 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.348 10.529 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.437 9.949 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.702 8.701 8.474 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.992 10.316 9.163 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.424 6.975 10.247 1.00 0.00 N ATOM 1100 CA VAL A 6 -11.894 5.680 9.666 1.00 0.00 C ATOM 1101 C VAL A 6 -12.408 5.973 8.264 1.00 0.00 C ATOM 1102 O VAL A 6 -13.021 6.996 8.031 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.022 5.098 10.513 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.473 4.700 11.882 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.124 6.143 10.679 1.00 0.00 C ATOM 0 H VAL A 6 -12.136 7.704 10.293 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.079 4.956 9.642 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.435 4.217 10.021 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.277 4.284 12.489 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.689 3.953 11.757 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.061 5.579 12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.930 5.728 11.284 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.717 7.026 11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.512 6.422 9.699 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.175 5.113 7.322 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.664 5.391 5.952 1.00 0.00 C ATOM 1117 C CYS A 7 -14.181 5.461 5.934 1.00 0.00 C ATOM 1118 O CYS A 7 -14.867 4.494 6.183 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.202 4.283 5.026 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.550 4.768 3.326 1.00 0.00 S ATOM 0 H CYS A 7 -11.670 4.234 7.439 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.264 6.349 5.620 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.135 4.102 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.715 3.352 5.266 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.710 4.181 2.527 1.00 0.00 H new ATOM 1125 N SER A 8 -14.707 6.607 5.634 1.00 0.00 N ATOM 1126 CA SER A 8 -16.176 6.752 5.585 1.00 0.00 C ATOM 1127 C SER A 8 -16.754 5.803 4.534 1.00 0.00 C ATOM 1128 O SER A 8 -17.800 5.216 4.728 1.00 0.00 O ATOM 1129 CB SER A 8 -16.523 8.190 5.211 1.00 0.00 C ATOM 1130 OG SER A 8 -16.154 9.051 6.279 1.00 0.00 O ATOM 0 H SER A 8 -14.179 7.453 5.420 1.00 0.00 H new ATOM 0 HA SER A 8 -16.598 6.509 6.560 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.000 8.478 4.299 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.590 8.279 5.008 1.00 0.00 H new ATOM 0 HG SER A 8 -15.207 9.290 6.195 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.100 5.660 3.404 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.659 4.766 2.354 1.00 0.00 C ATOM 1138 C ASN A 9 -16.468 3.287 2.705 1.00 0.00 C ATOM 1139 O ASN A 9 -17.346 2.493 2.430 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.973 5.056 1.015 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.429 6.417 0.486 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.464 6.919 0.879 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.699 7.038 -0.400 1.00 0.00 N ATOM 0 H ASN A 9 -15.219 6.118 3.171 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.729 4.964 2.285 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.890 5.048 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.216 4.275 0.294 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.997 7.944 -0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.830 6.618 -0.730 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.340 2.876 3.276 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.164 1.407 3.580 1.00 0.00 C ATOM 1152 C CYS A 10 -14.707 1.149 5.030 1.00 0.00 C ATOM 1153 O CYS A 10 -14.334 0.047 5.366 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.200 0.759 2.560 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.466 1.082 2.974 1.00 0.00 S ATOM 0 H CYS A 10 -14.558 3.477 3.536 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.143 0.937 3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.372 -0.317 2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.413 1.144 1.563 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.290 2.359 3.139 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.786 2.122 5.905 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.422 1.905 7.349 1.00 0.00 C ATOM 1162 C GLN A 11 -12.990 1.391 7.562 1.00 0.00 C ATOM 1163 O GLN A 11 -12.591 1.165 8.687 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.413 0.914 7.986 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.744 1.617 8.268 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.705 0.637 8.944 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.905 0.738 8.785 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.225 -0.307 9.708 1.00 0.00 N ATOM 0 H GLN A 11 -15.090 3.070 5.682 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.477 2.883 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.573 0.067 7.319 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.998 0.516 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.581 2.484 8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.177 1.985 7.338 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.217 -0.392 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.858 -0.959 10.171 1.00 0.00 H new ATOM 1177 N THR A 12 -12.203 1.203 6.546 1.00 0.00 N ATOM 1178 CA THR A 12 -10.821 0.709 6.814 1.00 0.00 C ATOM 1179 C THR A 12 -10.092 1.744 7.687 1.00 0.00 C ATOM 1180 O THR A 12 -10.451 2.905 7.682 1.00 0.00 O ATOM 1181 CB THR A 12 -10.080 0.480 5.476 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.920 -0.301 5.717 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.660 1.806 4.807 1.00 0.00 C ATOM 0 H THR A 12 -12.442 1.363 5.567 1.00 0.00 H new ATOM 0 HA THR A 12 -10.851 -0.243 7.344 1.00 0.00 H new ATOM 0 HB THR A 12 -10.765 -0.033 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.446 -0.452 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.143 1.594 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.546 2.408 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.994 2.354 5.473 1.00 0.00 H new ATOM 1191 N SER A 13 -9.071 1.356 8.421 1.00 0.00 N ATOM 1192 CA SER A 13 -8.325 2.356 9.269 1.00 0.00 C ATOM 1193 C SER A 13 -6.817 2.154 9.062 1.00 0.00 C ATOM 1194 O SER A 13 -5.998 2.717 9.762 1.00 0.00 O ATOM 1195 CB SER A 13 -8.689 2.167 10.744 1.00 0.00 C ATOM 1196 OG SER A 13 -8.419 3.370 11.451 1.00 0.00 O ATOM 0 H SER A 13 -8.722 0.399 8.472 1.00 0.00 H new ATOM 0 HA SER A 13 -8.601 3.369 8.975 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.742 1.904 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.115 1.344 11.170 1.00 0.00 H new ATOM 0 HG SER A 13 -8.837 4.124 10.985 1.00 0.00 H new ATOM 1202 N THR A 14 -6.458 1.352 8.093 1.00 0.00 N ATOM 1203 CA THR A 14 -5.015 1.085 7.791 1.00 0.00 C ATOM 1204 C THR A 14 -4.684 1.693 6.433 1.00 0.00 C ATOM 1205 O THR A 14 -4.149 1.052 5.566 1.00 0.00 O ATOM 1206 CB THR A 14 -4.794 -0.422 7.723 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.422 -0.936 6.556 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.403 -1.071 8.961 1.00 0.00 C ATOM 0 H THR A 14 -7.114 0.861 7.486 1.00 0.00 H new ATOM 0 HA THR A 14 -4.381 1.519 8.565 1.00 0.00 H new ATOM 0 HB THR A 14 -3.727 -0.640 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.044 -0.502 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.249 -2.149 8.920 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.925 -0.670 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.471 -0.858 8.995 1.00 0.00 H new ATOM 1216 N THR A 15 -5.073 2.900 6.222 1.00 0.00 N ATOM 1217 CA THR A 15 -4.849 3.540 4.892 1.00 0.00 C ATOM 1218 C THR A 15 -3.391 3.954 4.715 1.00 0.00 C ATOM 1219 O THR A 15 -2.721 4.320 5.660 1.00 0.00 O ATOM 1220 CB THR A 15 -5.724 4.787 4.818 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.065 5.864 5.473 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.030 4.497 5.540 1.00 0.00 C ATOM 0 H THR A 15 -5.542 3.488 6.911 1.00 0.00 H new ATOM 0 HA THR A 15 -5.099 2.826 4.107 1.00 0.00 H new ATOM 0 HB THR A 15 -5.912 5.053 3.778 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.710 6.358 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.672 5.377 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.533 3.658 5.059 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.823 4.247 6.581 1.00 0.00 H new ATOM 1230 N THR A 16 -2.901 3.936 3.502 1.00 0.00 N ATOM 1231 CA THR A 16 -1.499 4.374 3.281 1.00 0.00 C ATOM 1232 C THR A 16 -1.494 5.897 3.369 1.00 0.00 C ATOM 1233 O THR A 16 -0.607 6.499 3.940 1.00 0.00 O ATOM 1234 CB THR A 16 -0.987 3.952 1.895 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.621 4.743 0.900 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.270 2.466 1.609 1.00 0.00 C ATOM 0 H THR A 16 -3.407 3.640 2.667 1.00 0.00 H new ATOM 0 HA THR A 16 -0.849 3.915 4.026 1.00 0.00 H new ATOM 0 HB THR A 16 0.093 4.102 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.295 4.478 0.015 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.893 2.208 0.620 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.774 1.850 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.345 2.287 1.646 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.515 6.521 2.827 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.624 8.011 2.892 1.00 0.00 C ATOM 1246 C LEU A 17 -4.091 8.371 3.128 1.00 0.00 C ATOM 1247 O LEU A 17 -4.974 7.859 2.468 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.135 8.665 1.584 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.524 10.046 1.882 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.203 9.897 2.682 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.275 10.788 0.551 1.00 0.00 C ATOM 0 H LEU A 17 -3.281 6.057 2.340 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.997 8.382 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.394 8.026 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.966 8.769 0.887 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.219 10.624 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.214 10.884 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.404 9.389 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.511 9.313 2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.842 11.767 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.587 10.209 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.220 10.912 0.022 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.366 9.241 4.054 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.777 9.624 4.314 1.00 0.00 C ATOM 1265 C TRP A 18 -6.226 10.668 3.285 1.00 0.00 C ATOM 1266 O TRP A 18 -5.604 11.698 3.113 1.00 0.00 O ATOM 1267 CB TRP A 18 -5.873 10.212 5.733 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.016 9.102 6.732 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.117 8.787 7.693 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.108 8.150 6.870 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.597 7.706 8.413 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.819 7.282 7.946 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.311 7.960 6.174 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.692 6.263 8.322 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.190 6.934 6.546 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.882 6.087 7.617 1.00 0.00 C ATOM 0 H TRP A 18 -3.674 9.704 4.643 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.423 8.750 4.232 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.983 10.801 5.954 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.726 10.887 5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.180 9.295 7.869 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.104 7.276 9.195 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.561 8.608 5.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.449 5.616 9.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.113 6.796 6.002 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.565 5.299 7.897 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.315 10.404 2.611 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.852 11.358 1.591 1.00 0.00 C ATOM 1289 C ARG A 19 -9.158 11.967 2.118 1.00 0.00 C ATOM 1290 O ARG A 19 -9.631 11.607 3.178 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.125 10.595 0.280 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.813 10.402 -0.520 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.404 11.714 -1.210 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.523 11.417 -2.392 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.396 10.761 -2.274 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.910 10.474 -1.098 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.724 10.436 -3.343 1.00 0.00 N ATOM 0 H ARG A 19 -7.865 9.553 2.725 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.129 12.152 1.403 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.568 9.624 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.848 11.144 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.018 10.073 0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.947 9.619 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.292 12.257 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.877 12.357 -0.505 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.813 11.737 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.409 10.761 -0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.031 9.962 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.077 10.693 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.845 9.925 -3.257 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.759 12.865 1.375 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.054 13.480 1.810 1.00 0.00 C ATOM 1313 C ARG A 20 -12.031 13.392 0.635 1.00 0.00 C ATOM 1314 O ARG A 20 -11.647 13.556 -0.507 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.830 14.948 2.186 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.086 15.516 2.870 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.100 15.152 4.363 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.172 15.937 5.042 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.508 15.664 6.273 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.896 14.712 6.922 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.450 16.352 6.860 1.00 0.00 N ATOM 0 H ARG A 20 -9.406 13.201 0.479 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.452 12.956 2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.973 15.034 2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.598 15.529 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.111 16.600 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.980 15.123 2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.278 14.084 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.131 15.369 4.813 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.644 16.690 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.154 14.180 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.160 14.500 7.884 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.923 17.102 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.713 16.139 7.822 1.00 0.00 H new ATOM 1335 N SER A 21 -13.290 13.130 0.893 1.00 0.00 N ATOM 1336 CA SER A 21 -14.281 13.026 -0.229 1.00 0.00 C ATOM 1337 C SER A 21 -14.912 14.412 -0.489 1.00 0.00 C ATOM 1338 O SER A 21 -14.865 15.283 0.356 1.00 0.00 O ATOM 1339 CB SER A 21 -15.351 11.980 0.129 1.00 0.00 C ATOM 1340 OG SER A 21 -15.177 10.833 -0.691 1.00 0.00 O ATOM 0 H SER A 21 -13.674 12.984 1.826 1.00 0.00 H new ATOM 0 HA SER A 21 -13.782 12.704 -1.143 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.270 11.705 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.347 12.397 -0.016 1.00 0.00 H new ATOM 0 HG SER A 21 -15.856 10.163 -0.465 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.487 14.619 -1.661 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.110 15.934 -2.002 1.00 0.00 C ATOM 1348 C PRO A 22 -17.171 16.365 -0.977 1.00 0.00 C ATOM 1349 O PRO A 22 -17.571 17.511 -0.922 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.754 15.655 -3.381 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.488 14.183 -3.764 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.558 13.563 -2.713 1.00 0.00 C ATOM 0 HA PRO A 22 -15.388 16.750 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.826 15.848 -3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.337 16.323 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.426 13.630 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.033 14.126 -4.753 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.959 12.629 -2.320 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.575 13.339 -3.126 1.00 0.00 H new ATOM 1360 N MET A 23 -17.639 15.441 -0.185 1.00 0.00 N ATOM 1361 CA MET A 23 -18.689 15.761 0.827 1.00 0.00 C ATOM 1362 C MET A 23 -18.034 16.088 2.171 1.00 0.00 C ATOM 1363 O MET A 23 -18.673 16.574 3.082 1.00 0.00 O ATOM 1364 CB MET A 23 -19.590 14.534 0.988 1.00 0.00 C ATOM 1365 CG MET A 23 -20.865 14.907 1.747 1.00 0.00 C ATOM 1366 SD MET A 23 -21.894 13.427 1.929 1.00 0.00 S ATOM 1367 CE MET A 23 -23.244 14.184 2.866 1.00 0.00 C ATOM 0 H MET A 23 -17.337 14.467 -0.195 1.00 0.00 H new ATOM 0 HA MET A 23 -19.271 16.622 0.499 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.847 14.132 0.008 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.056 13.750 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.615 15.315 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.411 15.682 1.209 1.00 0.00 H new ATOM 0 HE1 MET A 23 -24.001 13.431 3.087 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.855 14.592 3.799 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.691 14.986 2.278 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.765 15.814 2.307 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.068 16.092 3.599 1.00 0.00 C ATOM 1379 C GLY A 24 -16.074 14.821 4.452 1.00 0.00 C ATOM 1380 O GLY A 24 -15.928 14.866 5.657 1.00 0.00 O ATOM 0 H GLY A 24 -16.178 15.409 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.044 16.415 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.567 16.903 4.129 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.235 13.683 3.828 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.246 12.388 4.570 1.00 0.00 C ATOM 1386 C ASP A 25 -14.848 11.732 4.451 1.00 0.00 C ATOM 1387 O ASP A 25 -14.446 11.375 3.362 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.275 11.469 3.899 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.652 12.141 3.907 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.935 12.859 4.851 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.402 11.922 2.968 1.00 0.00 O ATOM 0 H ASP A 25 -16.361 13.596 2.820 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.494 12.549 5.619 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.971 11.254 2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.322 10.515 4.425 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.094 11.566 5.530 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.739 10.937 5.421 1.00 0.00 C ATOM 1398 C PRO A 26 -12.764 9.615 4.635 1.00 0.00 C ATOM 1399 O PRO A 26 -13.658 8.808 4.795 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.368 10.715 6.898 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.264 11.635 7.741 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.509 11.973 6.907 1.00 0.00 C ATOM 0 HA PRO A 26 -12.024 11.551 4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.517 9.672 7.178 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.316 10.943 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.549 11.143 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.728 12.544 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.387 11.423 7.246 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.758 13.033 6.960 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.781 9.387 3.793 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.742 8.109 3.003 1.00 0.00 C ATOM 1412 C VAL A 27 -10.306 7.587 2.902 1.00 0.00 C ATOM 1413 O VAL A 27 -9.354 8.324 3.069 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.314 8.339 1.595 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -13.849 8.309 1.658 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.834 9.700 1.053 1.00 0.00 C ATOM 0 H VAL A 27 -11.006 10.027 3.618 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.351 7.366 3.518 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.966 7.551 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.257 8.472 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.179 7.340 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.201 9.094 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.242 9.858 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.175 10.496 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.745 9.709 1.006 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.140 6.314 2.617 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.768 5.751 2.492 1.00 0.00 C ATOM 1428 C CYS A 28 -8.236 6.031 1.087 1.00 0.00 C ATOM 1429 O CYS A 28 -8.988 6.251 0.159 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.772 4.244 2.828 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.596 3.241 1.552 1.00 0.00 S ATOM 0 H CYS A 28 -10.898 5.648 2.467 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.100 6.231 3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.745 3.900 2.947 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.272 4.091 3.784 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.560 2.557 2.093 1.00 0.00 H new ATOM 1436 N ASN A 29 -6.945 6.076 0.936 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.357 6.405 -0.393 1.00 0.00 C ATOM 1438 C ASN A 29 -6.994 5.549 -1.492 1.00 0.00 C ATOM 1439 O ASN A 29 -7.121 5.983 -2.620 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.849 6.141 -0.346 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.200 6.612 -1.648 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.111 5.864 -2.601 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.726 7.826 -1.726 1.00 0.00 N ATOM 0 H ASN A 29 -6.267 5.899 1.677 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.549 7.454 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.405 6.663 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.661 5.077 -0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.281 8.146 -2.587 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.800 8.455 -0.926 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.400 4.351 -1.191 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.025 3.505 -2.247 1.00 0.00 C ATOM 1452 C ALA A 30 -9.429 4.034 -2.604 1.00 0.00 C ATOM 1453 O ALA A 30 -9.731 4.272 -3.757 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.118 2.067 -1.747 1.00 0.00 C ATOM 0 H ALA A 30 -7.329 3.921 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.409 3.541 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.575 1.443 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.118 1.694 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.728 2.034 -0.844 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.295 4.203 -1.634 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.674 4.699 -1.948 1.00 0.00 C ATOM 1462 C CYS A 31 -11.598 6.055 -2.634 1.00 0.00 C ATOM 1463 O CYS A 31 -12.315 6.328 -3.558 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.491 4.866 -0.664 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.959 3.254 -0.016 1.00 0.00 S ATOM 0 H CYS A 31 -10.110 4.021 -0.647 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.151 3.968 -2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.908 5.410 0.079 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.383 5.459 -0.866 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.956 3.291 1.283 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.749 6.917 -2.182 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.677 8.256 -2.819 1.00 0.00 C ATOM 1472 C GLY A 32 -10.393 8.114 -4.316 1.00 0.00 C ATOM 1473 O GLY A 32 -11.060 8.709 -5.139 1.00 0.00 O ATOM 0 H GLY A 32 -10.105 6.761 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.616 8.789 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.894 8.850 -2.347 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.406 7.343 -4.681 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.088 7.184 -6.131 1.00 0.00 C ATOM 1479 C LEU A 33 -10.188 6.386 -6.835 1.00 0.00 C ATOM 1480 O LEU A 33 -10.691 6.787 -7.865 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.754 6.446 -6.272 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.635 7.254 -5.592 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.441 6.337 -5.311 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.182 8.406 -6.505 1.00 0.00 C ATOM 0 H LEU A 33 -8.808 6.818 -4.043 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.022 8.170 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.826 5.457 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.519 6.299 -7.326 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.016 7.665 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.648 6.909 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.753 5.525 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.071 5.923 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.390 8.970 -6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.808 8.000 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.027 9.065 -6.705 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.568 5.262 -6.298 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.634 4.450 -6.952 1.00 0.00 C ATOM 1498 C TYR A 34 -12.918 5.272 -7.040 1.00 0.00 C ATOM 1499 O TYR A 34 -13.576 5.315 -8.061 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.884 3.196 -6.111 1.00 0.00 C ATOM 1501 CG TYR A 34 -12.995 2.376 -6.718 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.324 2.722 -6.469 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.697 1.264 -7.514 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.358 1.959 -7.015 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.734 0.499 -8.065 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.066 0.848 -7.814 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.092 0.095 -8.351 1.00 0.00 O ATOM 0 H TYR A 34 -10.189 4.870 -5.436 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.322 4.165 -7.957 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.973 2.601 -6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.146 3.479 -5.092 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.553 3.580 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.668 0.996 -7.704 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.386 2.227 -6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.506 -0.358 -8.682 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.716 -0.639 -8.881 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.275 5.919 -5.972 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.512 6.743 -5.962 1.00 0.00 C ATOM 1519 C TYR A 35 -14.410 7.857 -7.007 1.00 0.00 C ATOM 1520 O TYR A 35 -15.314 8.096 -7.762 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.692 7.371 -4.577 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.093 7.903 -4.450 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.382 9.212 -4.843 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.103 7.083 -3.938 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.687 9.704 -4.723 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.406 7.571 -3.817 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.700 8.883 -4.209 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.986 9.366 -4.091 1.00 0.00 O ATOM 0 H TYR A 35 -12.757 5.913 -5.094 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.365 6.106 -6.197 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.501 6.629 -3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.971 8.176 -4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.600 9.843 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.875 6.071 -3.636 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.913 10.716 -5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.186 6.937 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.565 8.668 -3.719 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.325 8.561 -7.045 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.204 9.667 -8.036 1.00 0.00 C ATOM 1540 C LYS A 36 -13.335 9.111 -9.457 1.00 0.00 C ATOM 1541 O LYS A 36 -13.955 9.711 -10.313 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.834 10.325 -7.853 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.651 11.476 -8.849 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.268 12.121 -8.645 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.182 11.338 -9.411 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.975 11.965 -10.747 1.00 0.00 N ATOM 0 H LYS A 36 -12.516 8.425 -6.439 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.995 10.401 -7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.738 10.700 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.047 9.585 -7.996 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.743 11.105 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.435 12.220 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.289 13.155 -8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.025 12.144 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.249 11.340 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.482 10.297 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.243 11.440 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.866 11.941 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.671 12.952 -10.624 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.752 7.979 -9.719 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.835 7.391 -11.087 1.00 0.00 C ATOM 1562 C LEU A 37 -14.242 6.834 -11.381 1.00 0.00 C ATOM 1563 O LEU A 37 -14.730 6.971 -12.485 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.773 6.278 -11.213 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.452 6.847 -11.767 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.970 8.031 -10.917 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.388 5.748 -11.747 1.00 0.00 C ATOM 0 H LEU A 37 -12.219 7.431 -9.044 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.643 8.174 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.598 5.823 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.140 5.491 -11.871 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.620 7.195 -12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.036 8.417 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.724 8.818 -10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.807 7.700 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.450 6.143 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.239 5.404 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.716 4.913 -12.366 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.891 6.192 -10.430 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.258 5.615 -10.707 1.00 0.00 C ATOM 1581 C HIS A 38 -17.354 6.329 -9.898 1.00 0.00 C ATOM 1582 O HIS A 38 -18.524 6.171 -10.176 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.255 4.124 -10.358 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.346 3.393 -11.310 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.829 2.726 -12.426 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.984 3.222 -11.333 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.774 2.192 -13.068 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.625 2.464 -12.444 1.00 0.00 N ATOM 0 H HIS A 38 -14.540 6.043 -9.484 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.478 5.759 -11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.918 3.980 -9.332 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.266 3.722 -10.421 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.295 3.616 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.847 1.614 -13.977 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.686 2.178 -12.722 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.007 7.129 -8.925 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.031 7.869 -8.122 1.00 0.00 C ATOM 1598 C GLN A 39 -19.217 6.966 -7.757 1.00 0.00 C ATOM 1599 O GLN A 39 -20.364 7.254 -8.032 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.454 9.126 -8.888 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.356 10.013 -8.023 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.549 11.358 -8.723 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.486 11.537 -9.475 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -18.689 12.317 -8.514 1.00 0.00 N ATOM 0 H GLN A 39 -16.042 7.305 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.597 8.181 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.570 9.686 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.981 8.842 -9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.320 9.529 -7.865 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.908 10.161 -7.040 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.902 12.168 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.804 13.216 -8.982 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.922 5.879 -7.101 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.967 4.931 -6.643 1.00 0.00 C ATOM 1615 C VAL A 40 -19.449 4.265 -5.369 1.00 0.00 C ATOM 1616 O VAL A 40 -18.256 4.178 -5.154 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.235 3.863 -7.701 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.059 4.454 -8.844 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.913 3.312 -8.239 1.00 0.00 C ATOM 0 H VAL A 40 -17.970 5.604 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.900 5.464 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.797 3.048 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.245 3.685 -9.594 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.009 4.820 -8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.511 5.279 -9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.116 2.551 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.337 4.122 -8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.343 2.870 -7.421 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.315 3.795 -4.519 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.830 3.142 -3.263 1.00 0.00 C ATOM 1631 C ASN A 41 -19.496 1.675 -3.549 1.00 0.00 C ATOM 1632 O ASN A 41 -20.326 0.904 -3.988 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.897 3.240 -2.170 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.232 2.712 -2.698 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.475 1.522 -2.689 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.116 3.555 -3.159 1.00 0.00 N ATOM 0 H ASN A 41 -21.328 3.831 -4.632 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.933 3.653 -2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.589 2.666 -1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.007 4.276 -1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.010 3.214 -3.511 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.912 4.554 -3.167 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.264 1.304 -3.321 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.806 -0.092 -3.586 1.00 0.00 C ATOM 1645 C ARG A 42 -18.013 -0.959 -2.320 1.00 0.00 C ATOM 1646 O ARG A 42 -17.752 -0.502 -1.225 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.309 -0.013 -3.927 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.698 -1.406 -4.160 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.170 -1.306 -4.103 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.762 -0.695 -2.802 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.519 -0.747 -2.413 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.624 -1.317 -3.168 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.171 -0.218 -1.272 1.00 0.00 N ATOM 0 H ARG A 42 -17.541 1.923 -2.955 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.369 -0.543 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.172 0.597 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.778 0.485 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.056 -2.104 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.012 -1.796 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.725 -2.296 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.803 -0.702 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.459 -0.235 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.896 -1.723 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.651 -1.358 -2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.871 0.236 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.199 -0.258 -0.967 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.460 -2.202 -2.444 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.650 -3.066 -1.240 1.00 0.00 C ATOM 1669 C PRO A 43 -17.340 -3.280 -0.461 1.00 0.00 C ATOM 1670 O PRO A 43 -16.256 -3.224 -1.008 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.177 -4.387 -1.837 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.085 -4.296 -3.371 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.808 -2.832 -3.756 1.00 0.00 C ATOM 0 HA PRO A 43 -19.327 -2.622 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.590 -5.230 -1.471 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.208 -4.558 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.290 -4.942 -3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.014 -4.639 -3.827 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.991 -2.750 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.680 -2.362 -4.211 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.449 -3.511 0.817 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.241 -3.719 1.671 1.00 0.00 C ATOM 1683 C LEU A 44 -15.558 -5.049 1.332 1.00 0.00 C ATOM 1684 O LEU A 44 -14.551 -5.396 1.913 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.681 -3.728 3.146 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.847 -2.289 3.648 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -18.109 -1.661 3.052 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.953 -2.283 5.175 1.00 0.00 C ATOM 0 H LEU A 44 -18.337 -3.566 1.316 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.529 -2.914 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.621 -4.270 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.942 -4.251 3.752 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.978 -1.709 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.214 -0.639 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.032 -1.652 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.981 -2.244 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -17.071 -1.258 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.816 -2.874 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -16.048 -2.713 5.604 1.00 0.00 H new ATOM 1700 N THR A 45 -16.091 -5.804 0.415 1.00 0.00 N ATOM 1701 CA THR A 45 -15.446 -7.105 0.082 1.00 0.00 C ATOM 1702 C THR A 45 -14.027 -6.858 -0.434 1.00 0.00 C ATOM 1703 O THR A 45 -13.226 -7.769 -0.513 1.00 0.00 O ATOM 1704 CB THR A 45 -16.263 -7.842 -0.985 1.00 0.00 C ATOM 1705 OG1 THR A 45 -16.481 -6.985 -2.097 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.612 -8.279 -0.398 1.00 0.00 C ATOM 0 H THR A 45 -16.935 -5.582 -0.113 1.00 0.00 H new ATOM 0 HA THR A 45 -15.403 -7.720 0.981 1.00 0.00 H new ATOM 0 HB THR A 45 -15.712 -8.724 -1.312 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.002 -7.459 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.188 -8.802 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.442 -8.944 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 45 -18.165 -7.401 -0.064 1.00 0.00 H new ATOM 1714 N MET A 46 -13.703 -5.637 -0.789 1.00 0.00 N ATOM 1715 CA MET A 46 -12.322 -5.348 -1.304 1.00 0.00 C ATOM 1716 C MET A 46 -11.467 -4.782 -0.171 1.00 0.00 C ATOM 1717 O MET A 46 -10.301 -4.487 -0.341 1.00 0.00 O ATOM 1718 CB MET A 46 -12.397 -4.340 -2.457 1.00 0.00 C ATOM 1719 CG MET A 46 -11.016 -4.193 -3.114 1.00 0.00 C ATOM 1720 SD MET A 46 -11.211 -3.567 -4.801 1.00 0.00 S ATOM 1721 CE MET A 46 -9.452 -3.322 -5.149 1.00 0.00 C ATOM 0 H MET A 46 -14.328 -4.832 -0.746 1.00 0.00 H new ATOM 0 HA MET A 46 -11.871 -6.270 -1.671 1.00 0.00 H new ATOM 0 HB2 MET A 46 -13.127 -4.672 -3.195 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.737 -3.374 -2.085 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.396 -3.512 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.505 -5.156 -3.129 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.332 -2.932 -6.160 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.035 -2.613 -4.434 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.928 -4.274 -5.063 1.00 0.00 H new ATOM 1731 N ARG A 47 -12.045 -4.640 0.984 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.287 -4.106 2.147 1.00 0.00 C ATOM 1733 C ARG A 47 -10.382 -5.204 2.710 1.00 0.00 C ATOM 1734 O ARG A 47 -10.783 -6.344 2.838 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.288 -3.646 3.206 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.576 -3.286 4.509 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.610 -2.733 5.484 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.016 -2.660 6.858 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.626 -3.734 7.488 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.878 -4.915 6.991 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.019 -3.630 8.638 1.00 0.00 N ATOM 0 H ARG A 47 -13.019 -4.873 1.176 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.665 -3.264 1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.841 -2.782 2.838 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.016 -4.435 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.089 -4.165 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.796 -2.548 4.324 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.934 -1.743 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.494 -3.370 5.492 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.914 -1.751 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.381 -5.000 6.108 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.572 -5.753 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.850 -2.710 9.044 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.714 -4.469 9.131 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.160 -4.864 3.038 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.201 -5.873 3.592 1.00 0.00 C ATOM 1757 C LYS A 48 -7.699 -5.375 4.952 1.00 0.00 C ATOM 1758 O LYS A 48 -7.343 -4.223 5.100 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.024 -6.009 2.620 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.001 -7.034 3.133 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.646 -8.428 3.198 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.569 -9.514 3.223 1.00 0.00 C ATOM 1763 NZ LYS A 48 -6.217 -10.841 3.030 1.00 0.00 N ATOM 0 H LYS A 48 -8.781 -3.922 2.945 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.686 -6.841 3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.391 -6.315 1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.540 -5.041 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.133 -7.056 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.644 -6.742 4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.270 -8.506 4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.299 -8.574 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.835 -9.335 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.032 -9.491 4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.492 -11.587 3.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.902 -11.008 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.710 -10.857 2.115 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.686 -6.219 5.952 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.229 -5.764 7.300 1.00 0.00 C ATOM 1779 C ASP A 49 -5.930 -4.961 7.170 1.00 0.00 C ATOM 1780 O ASP A 49 -5.939 -3.747 7.136 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.989 -6.980 8.200 1.00 0.00 C ATOM 1782 CG ASP A 49 -8.322 -7.674 8.490 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -9.218 -7.010 8.986 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -8.425 -8.858 8.212 1.00 0.00 O ATOM 0 H ASP A 49 -7.970 -7.197 5.895 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.999 -5.131 7.740 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.304 -7.675 7.715 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.519 -6.668 9.133 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.811 -5.633 7.115 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.507 -4.915 7.006 1.00 0.00 C ATOM 1791 C GLY A 50 -3.372 -4.268 5.624 1.00 0.00 C ATOM 1792 O GLY A 50 -4.238 -4.392 4.780 1.00 0.00 O ATOM 0 H GLY A 50 -4.743 -6.650 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.438 -4.152 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.685 -5.612 7.171 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.284 -3.578 5.389 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.071 -2.918 4.071 1.00 0.00 C ATOM 1798 C ILE A 51 -1.302 -3.848 3.132 1.00 0.00 C ATOM 1799 O ILE A 51 -0.369 -4.519 3.528 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.289 -1.625 4.288 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -1.987 -0.819 5.402 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.260 -0.827 2.980 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.602 0.664 5.329 1.00 0.00 C ATOM 0 H ILE A 51 -1.529 -3.444 6.062 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.035 -2.692 3.615 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.262 -1.838 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.068 -0.923 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.711 -1.223 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.702 0.098 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.777 -1.420 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.280 -0.590 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.107 1.211 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.523 0.766 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.902 1.071 4.363 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.676 -3.872 1.884 1.00 0.00 N ATOM 1816 CA GLN A 52 -0.955 -4.739 0.911 1.00 0.00 C ATOM 1817 C GLN A 52 0.347 -4.050 0.516 1.00 0.00 C ATOM 1818 O GLN A 52 0.444 -2.842 0.517 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.817 -4.954 -0.337 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.081 -5.731 0.041 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.086 -4.771 0.674 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.342 -4.840 1.857 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.660 -3.864 -0.068 1.00 0.00 N ATOM 0 H GLN A 52 -2.448 -3.330 1.496 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.746 -5.707 1.366 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.086 -3.993 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.253 -5.502 -1.091 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.513 -6.199 -0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.836 -6.532 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.443 -3.807 -1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.325 -3.212 0.347 1.00 0.00 H new ATOM 1832 N THR A 53 1.359 -4.806 0.199 1.00 0.00 N ATOM 1833 CA THR A 53 2.666 -4.193 -0.186 1.00 0.00 C ATOM 1834 C THR A 53 3.248 -4.949 -1.376 1.00 0.00 C ATOM 1835 O THR A 53 2.873 -6.066 -1.670 1.00 0.00 O ATOM 1836 CB THR A 53 3.633 -4.250 0.998 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.969 -4.279 0.518 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.352 -5.499 1.823 1.00 0.00 C ATOM 0 H THR A 53 1.340 -5.826 0.189 1.00 0.00 H new ATOM 0 HA THR A 53 2.512 -3.150 -0.464 1.00 0.00 H new ATOM 0 HB THR A 53 3.497 -3.368 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.588 -4.314 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.041 -5.540 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.327 -5.468 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.487 -6.384 1.201 1.00 0.00 H new ATOM 1846 N ARG A 54 4.145 -4.322 -2.073 1.00 0.00 N ATOM 1847 CA ARG A 54 4.757 -4.962 -3.272 1.00 0.00 C ATOM 1848 C ARG A 54 6.162 -4.402 -3.488 1.00 0.00 C ATOM 1849 O ARG A 54 6.548 -3.424 -2.880 1.00 0.00 O ATOM 1850 CB ARG A 54 3.872 -4.650 -4.497 1.00 0.00 C ATOM 1851 CG ARG A 54 3.974 -5.778 -5.543 1.00 0.00 C ATOM 1852 CD ARG A 54 2.989 -6.904 -5.196 1.00 0.00 C ATOM 1853 NE ARG A 54 3.364 -8.142 -5.937 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.836 -9.287 -5.600 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.950 -9.341 -4.642 1.00 0.00 N ATOM 1856 NH2 ARG A 54 3.186 -10.378 -6.226 1.00 0.00 N ATOM 0 H ARG A 54 4.487 -3.384 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 54 4.827 -6.041 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.835 -4.531 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.180 -3.704 -4.943 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.756 -5.385 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.991 -6.169 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.000 -7.093 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.973 -6.606 -5.456 1.00 0.00 H new ATOM 0 HE ARG A 54 4.032 -8.094 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.671 -8.488 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.537 -10.236 -4.379 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.873 -10.336 -6.979 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.773 -11.272 -5.962 1.00 0.00 H new ATOM 1870 N ASN A 55 6.926 -4.991 -4.370 1.00 0.00 N ATOM 1871 CA ASN A 55 8.286 -4.444 -4.623 1.00 0.00 C ATOM 1872 C ASN A 55 8.109 -2.970 -4.983 1.00 0.00 C ATOM 1873 O ASN A 55 7.176 -2.597 -5.664 1.00 0.00 O ATOM 1874 CB ASN A 55 8.956 -5.188 -5.781 1.00 0.00 C ATOM 1875 CG ASN A 55 9.064 -6.674 -5.441 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.994 -7.095 -4.783 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.137 -7.491 -5.861 1.00 0.00 N ATOM 0 H ASN A 55 6.671 -5.813 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 55 8.919 -4.563 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.378 -5.055 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.947 -4.774 -5.968 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.193 -8.484 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.357 -7.136 -6.413 1.00 0.00 H new ATOM 1884 N ARG A 56 8.959 -2.127 -4.486 1.00 0.00 N ATOM 1885 CA ARG A 56 8.801 -0.672 -4.752 1.00 0.00 C ATOM 1886 C ARG A 56 8.910 -0.350 -6.243 1.00 0.00 C ATOM 1887 O ARG A 56 9.836 -0.750 -6.921 1.00 0.00 O ATOM 1888 CB ARG A 56 9.877 0.105 -3.992 1.00 0.00 C ATOM 1889 CG ARG A 56 9.591 0.050 -2.488 1.00 0.00 C ATOM 1890 CD ARG A 56 10.471 1.074 -1.773 1.00 0.00 C ATOM 1891 NE ARG A 56 10.471 0.811 -0.297 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.368 0.741 0.399 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.226 1.083 -0.126 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.420 0.382 1.653 1.00 0.00 N ATOM 0 H ARG A 56 9.759 -2.379 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 56 7.807 -0.379 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.860 -0.318 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.898 1.141 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.539 0.261 -2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.790 -0.950 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.489 1.023 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.105 2.081 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 56 11.363 0.682 0.180 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.186 1.410 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.372 1.024 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.318 0.159 2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.563 0.325 2.203 1.00 0.00 H new ATOM 1908 N LYS A 57 7.961 0.397 -6.740 1.00 0.00 N ATOM 1909 CA LYS A 57 7.964 0.797 -8.174 1.00 0.00 C ATOM 1910 C LYS A 57 9.319 1.422 -8.517 1.00 0.00 C ATOM 1911 O LYS A 57 9.952 2.030 -7.677 1.00 0.00 O ATOM 1912 CB LYS A 57 6.855 1.843 -8.383 1.00 0.00 C ATOM 1913 CG LYS A 57 6.691 2.190 -9.891 1.00 0.00 C ATOM 1914 CD LYS A 57 6.851 3.704 -10.125 1.00 0.00 C ATOM 1915 CE LYS A 57 5.610 4.450 -9.618 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.839 5.920 -9.721 1.00 0.00 N ATOM 0 H LYS A 57 7.171 0.752 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 57 7.792 -0.070 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.913 1.462 -7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.093 2.747 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.433 1.647 -10.476 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.710 1.865 -10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.740 4.068 -9.609 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.996 3.902 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.736 4.165 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.404 4.175 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.998 6.427 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.663 6.184 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.016 6.175 -10.714 1.00 0.00 H new ATOM 1930 N VAL A 58 9.769 1.275 -9.741 1.00 0.00 N ATOM 1931 CA VAL A 58 11.088 1.862 -10.142 1.00 0.00 C ATOM 1932 C VAL A 58 11.222 3.269 -9.549 1.00 0.00 C ATOM 1933 O VAL A 58 10.242 3.962 -9.354 1.00 0.00 O ATOM 1934 CB VAL A 58 11.160 1.943 -11.674 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.085 2.898 -12.192 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.537 2.456 -12.109 1.00 0.00 C ATOM 0 H VAL A 58 9.279 0.773 -10.481 1.00 0.00 H new ATOM 0 HA VAL A 58 11.897 1.234 -9.770 1.00 0.00 H new ATOM 0 HB VAL A 58 10.997 0.947 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.140 2.952 -13.279 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.101 2.534 -11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.246 3.890 -11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.578 2.510 -13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.705 3.448 -11.690 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.309 1.775 -11.750 1.00 0.00 H new