USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=17 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 155:sc= 0.318 USER MOD Set 1.2: A 10 CYS SG : rot -52:sc= -0.627 USER MOD Set 1.3: A 28 CYS SG : rot -119:sc= 0.376 USER MOD Set 1.4: A 31 CYS SG : rot 149:sc= 1.35 USER MOD Set 2.1: A 21 SER OG : rot 133:sc= -1.65 USER MOD Set 2.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 THR OG1 : rot -128:sc= 0.0443 USER MOD Set 3.2: A 29 ASN : amide:sc= -4.75! C(o=-4.7!,f=-7.4!) USER MOD Set 4.1: A 12 THR OG1 : rot -113:sc= 0.00304 USER MOD Set 4.2: A 14 THR OG1 : rot -155:sc= 1.06 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 80:sc= 0.933 USER MOD Single : A 9 ASN : amide:sc= -3.31! C(o=-3.3!,f=-3.1!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -135:sc= 0.672 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=-0.083) USER MOD Single : A 41 ASN : amide:sc= -1.66! C(o=-1.7!,f=-6.4!) 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+ -162:sc=-0.00635 (180deg=-0.306) USER MOD Single : A 52 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.002) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 55 ASN : amide:sc= -0.0899 K(o=-0.09,f=-2.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.271 10.084 14.679 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.006 9.380 15.774 1.00 0.00 C ATOM 1070 C ALA A 3 -8.519 9.370 15.516 1.00 0.00 C ATOM 1071 O ALA A 3 -9.146 10.405 15.400 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.747 10.121 17.086 1.00 0.00 C ATOM 0 HA ALA A 3 -6.653 8.350 15.820 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.276 9.621 17.897 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.678 10.123 17.298 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.102 11.148 17.000 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.116 8.206 15.465 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.595 8.120 15.257 1.00 0.00 C ATOM 1080 C GLY A 4 -10.942 8.158 13.766 1.00 0.00 C ATOM 1081 O GLY A 4 -12.073 7.929 13.384 1.00 0.00 O ATOM 0 H GLY A 4 -8.642 7.308 15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.975 7.199 15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.087 8.947 15.770 1.00 0.00 H new ATOM 1085 N THR A 5 -9.997 8.460 12.921 1.00 0.00 N ATOM 1086 CA THR A 5 -10.310 8.525 11.464 1.00 0.00 C ATOM 1087 C THR A 5 -10.640 7.132 10.933 1.00 0.00 C ATOM 1088 O THR A 5 -9.811 6.244 10.921 1.00 0.00 O ATOM 1089 CB THR A 5 -9.110 9.069 10.685 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.535 10.154 11.400 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.570 9.548 9.297 1.00 0.00 C ATOM 0 H THR A 5 -9.029 8.663 13.171 1.00 0.00 H new ATOM 0 HA THR A 5 -11.166 9.186 11.332 1.00 0.00 H new ATOM 0 HB THR A 5 -8.367 8.281 10.564 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.765 10.502 10.903 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.714 9.935 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.008 8.713 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.314 10.336 9.412 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.841 6.961 10.459 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.264 5.659 9.869 1.00 0.00 C ATOM 1101 C VAL A 6 -12.691 5.950 8.437 1.00 0.00 C ATOM 1102 O VAL A 6 -13.299 6.967 8.169 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.433 5.073 10.664 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.917 4.503 11.989 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.457 6.172 10.949 1.00 0.00 C ATOM 0 H VAL A 6 -12.562 7.682 10.455 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.453 4.932 9.896 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.903 4.278 10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.750 4.086 12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.186 3.719 11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.447 5.298 12.568 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.290 5.755 11.515 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.986 6.967 11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.826 6.579 10.007 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.384 5.099 7.505 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.785 5.381 6.105 1.00 0.00 C ATOM 1117 C CYS A 7 -14.300 5.433 6.002 1.00 0.00 C ATOM 1118 O CYS A 7 -14.992 4.474 6.278 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.244 4.283 5.207 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.689 4.626 3.487 1.00 0.00 S ATOM 0 H CYS A 7 -11.876 4.226 7.650 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.379 6.344 5.793 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.160 4.220 5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.649 3.318 5.512 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.837 4.047 2.694 1.00 0.00 H new ATOM 1125 N SER A 8 -14.817 6.557 5.615 1.00 0.00 N ATOM 1126 CA SER A 8 -16.285 6.696 5.495 1.00 0.00 C ATOM 1127 C SER A 8 -16.831 5.718 4.456 1.00 0.00 C ATOM 1128 O SER A 8 -17.892 5.152 4.628 1.00 0.00 O ATOM 1129 CB SER A 8 -16.611 8.111 5.043 1.00 0.00 C ATOM 1130 OG SER A 8 -16.209 9.034 6.045 1.00 0.00 O ATOM 0 H SER A 8 -14.281 7.391 5.375 1.00 0.00 H new ATOM 0 HA SER A 8 -16.739 6.484 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.101 8.331 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.680 8.206 4.854 1.00 0.00 H new ATOM 0 HG SER A 8 -15.245 9.194 5.975 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.138 5.536 3.357 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.671 4.620 2.311 1.00 0.00 C ATOM 1138 C ASN A 9 -16.507 3.144 2.697 1.00 0.00 C ATOM 1139 O ASN A 9 -17.388 2.356 2.411 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.932 4.872 0.993 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.344 6.225 0.406 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.382 6.761 0.745 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.570 6.803 -0.473 1.00 0.00 N ATOM 0 H ASN A 9 -15.242 5.975 3.145 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.736 4.825 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.855 4.853 1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.157 4.076 0.283 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.836 7.702 -0.874 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.699 6.355 -0.759 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.397 2.727 3.305 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.244 1.259 3.634 1.00 0.00 C ATOM 1152 C CYS A 10 -14.864 1.015 5.105 1.00 0.00 C ATOM 1153 O CYS A 10 -14.620 -0.109 5.494 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.223 0.596 2.687 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.517 0.941 3.205 1.00 0.00 S ATOM 0 H CYS A 10 -14.616 3.324 3.578 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.220 0.797 3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.388 -0.481 2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.377 0.960 1.671 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.362 2.222 3.363 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.870 2.023 5.942 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.580 1.809 7.400 1.00 0.00 C ATOM 1162 C GLN A 11 -13.153 1.295 7.675 1.00 0.00 C ATOM 1163 O GLN A 11 -12.781 1.119 8.818 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.612 0.815 7.965 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.685 0.930 9.491 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.815 0.043 10.022 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.085 -1.008 9.477 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.488 0.422 11.076 1.00 0.00 N ATOM 0 H GLN A 11 -15.064 2.990 5.680 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.653 2.778 7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.592 1.013 7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.339 -0.202 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.735 0.630 9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.857 1.967 9.779 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.262 1.305 11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.239 -0.165 11.440 1.00 0.00 H new ATOM 1177 N THR A 12 -12.332 1.062 6.688 1.00 0.00 N ATOM 1178 CA THR A 12 -10.955 0.579 7.018 1.00 0.00 C ATOM 1179 C THR A 12 -10.249 1.648 7.857 1.00 0.00 C ATOM 1180 O THR A 12 -10.422 2.828 7.626 1.00 0.00 O ATOM 1181 CB THR A 12 -10.153 0.292 5.735 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.939 -0.362 6.079 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.831 1.592 4.997 1.00 0.00 C ATOM 0 H THR A 12 -12.542 1.179 5.697 1.00 0.00 H new ATOM 0 HA THR A 12 -11.023 -0.351 7.582 1.00 0.00 H new ATOM 0 HB THR A 12 -10.752 -0.343 5.082 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.182 0.229 5.883 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.264 1.367 4.094 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.759 2.096 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.240 2.241 5.644 1.00 0.00 H new ATOM 1191 N SER A 13 -9.435 1.249 8.812 1.00 0.00 N ATOM 1192 CA SER A 13 -8.693 2.257 9.654 1.00 0.00 C ATOM 1193 C SER A 13 -7.218 2.216 9.258 1.00 0.00 C ATOM 1194 O SER A 13 -6.419 3.025 9.685 1.00 0.00 O ATOM 1195 CB SER A 13 -8.869 1.939 11.138 1.00 0.00 C ATOM 1196 OG SER A 13 -8.360 0.639 11.405 1.00 0.00 O ATOM 0 H SER A 13 -9.251 0.273 9.046 1.00 0.00 H new ATOM 0 HA SER A 13 -9.090 3.258 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.346 2.678 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.923 1.992 11.410 1.00 0.00 H new ATOM 0 HG SER A 13 -8.470 0.434 12.357 1.00 0.00 H new ATOM 1202 N THR A 14 -6.868 1.289 8.407 1.00 0.00 N ATOM 1203 CA THR A 14 -5.463 1.179 7.919 1.00 0.00 C ATOM 1204 C THR A 14 -5.419 1.788 6.519 1.00 0.00 C ATOM 1205 O THR A 14 -6.095 1.325 5.622 1.00 0.00 O ATOM 1206 CB THR A 14 -5.071 -0.299 7.847 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.963 -0.977 6.972 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.153 -0.919 9.242 1.00 0.00 C ATOM 0 H THR A 14 -7.507 0.592 8.024 1.00 0.00 H new ATOM 0 HA THR A 14 -4.774 1.696 8.587 1.00 0.00 H new ATOM 0 HB THR A 14 -4.051 -0.389 7.473 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.999 -1.926 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.874 -1.971 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.472 -0.396 9.913 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.172 -0.832 9.619 1.00 0.00 H new ATOM 1216 N THR A 15 -4.637 2.819 6.313 1.00 0.00 N ATOM 1217 CA THR A 15 -4.585 3.447 4.954 1.00 0.00 C ATOM 1218 C THR A 15 -3.185 3.975 4.671 1.00 0.00 C ATOM 1219 O THR A 15 -2.471 4.384 5.566 1.00 0.00 O ATOM 1220 CB THR A 15 -5.549 4.637 4.903 1.00 0.00 C ATOM 1221 OG1 THR A 15 -4.923 5.772 5.486 1.00 0.00 O ATOM 1222 CG2 THR A 15 -6.810 4.311 5.687 1.00 0.00 C ATOM 0 H THR A 15 -4.038 3.250 7.017 1.00 0.00 H new ATOM 0 HA THR A 15 -4.859 2.692 4.217 1.00 0.00 H new ATOM 0 HB THR A 15 -5.809 4.845 3.865 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.554 6.221 6.087 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.492 5.160 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.293 3.437 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.550 4.102 6.725 1.00 0.00 H new ATOM 1230 N THR A 16 -2.794 4.004 3.428 1.00 0.00 N ATOM 1231 CA THR A 16 -1.453 4.546 3.097 1.00 0.00 C ATOM 1232 C THR A 16 -1.544 6.072 3.123 1.00 0.00 C ATOM 1233 O THR A 16 -0.650 6.752 3.588 1.00 0.00 O ATOM 1234 CB THR A 16 -1.019 4.094 1.702 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.839 4.725 0.727 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.132 2.569 1.547 1.00 0.00 C ATOM 0 H THR A 16 -3.343 3.677 2.633 1.00 0.00 H new ATOM 0 HA THR A 16 -0.722 4.183 3.820 1.00 0.00 H new ATOM 0 HB THR A 16 0.024 4.376 1.562 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.209 4.048 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.816 2.281 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.494 2.080 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.166 2.263 1.703 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.636 6.617 2.638 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.809 8.105 2.648 1.00 0.00 C ATOM 1246 C LEU A 17 -4.284 8.414 2.920 1.00 0.00 C ATOM 1247 O LEU A 17 -5.165 7.859 2.293 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.390 8.706 1.289 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.789 10.106 1.479 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.448 10.020 2.257 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.577 10.738 0.091 1.00 0.00 C ATOM 0 H LEU A 17 -3.415 6.095 2.236 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.180 8.544 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.662 8.054 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.255 8.762 0.628 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.469 10.726 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.036 11.021 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.623 9.574 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.258 9.404 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.150 11.734 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.897 10.117 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.534 10.811 -0.426 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.569 9.296 3.838 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.987 9.632 4.123 1.00 0.00 C ATOM 1265 C TRP A 18 -6.476 10.650 3.089 1.00 0.00 C ATOM 1266 O TRP A 18 -5.845 11.661 2.848 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.085 10.235 5.533 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.093 9.131 6.553 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.115 8.894 7.458 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.111 8.109 6.775 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.470 7.794 8.220 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.690 7.278 7.840 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.348 7.826 6.165 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.465 6.206 8.283 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.131 6.746 6.610 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.689 5.939 7.667 1.00 0.00 C ATOM 0 H TRP A 18 -3.881 9.796 4.401 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.604 8.735 4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.244 10.904 5.713 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.992 10.833 5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.207 9.468 7.568 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.897 7.411 8.972 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.698 8.442 5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.120 5.586 9.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.078 6.537 6.135 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.295 5.111 8.005 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.592 10.376 2.466 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.144 11.299 1.427 1.00 0.00 C ATOM 1289 C ARG A 19 -9.432 11.929 1.965 1.00 0.00 C ATOM 1290 O ARG A 19 -9.887 11.603 3.043 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.490 10.497 0.158 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.372 9.517 -0.208 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.194 10.254 -0.836 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.090 9.270 -1.033 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.019 9.577 -1.712 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.836 10.786 -2.161 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.116 8.664 -1.917 1.00 0.00 N ATOM 0 H ARG A 19 -8.153 9.541 2.634 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.407 12.067 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.419 9.949 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.661 11.183 -0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.041 8.985 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.751 8.768 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.485 10.697 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.867 11.070 -0.192 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.174 8.338 -0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.535 11.507 -1.983 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.994 11.011 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.250 7.722 -1.549 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.274 8.890 -2.446 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.044 12.797 1.202 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.333 13.422 1.626 1.00 0.00 C ATOM 1313 C ARG A 20 -12.302 13.284 0.444 1.00 0.00 C ATOM 1314 O ARG A 20 -11.911 13.437 -0.697 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.103 14.901 1.960 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.336 15.484 2.676 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.226 15.258 4.191 1.00 0.00 C ATOM 1318 NE ARG A 20 -11.094 16.063 4.735 1.00 0.00 N ATOM 1319 CZ ARG A 20 -10.998 16.279 6.020 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.912 15.823 6.833 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -9.990 16.958 6.491 1.00 0.00 N ATOM 0 H ARG A 20 -9.701 13.103 0.292 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.738 12.937 2.514 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.222 15.005 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.906 15.461 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.418 16.550 2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.243 15.013 2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.157 15.544 4.680 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.067 14.200 4.401 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.392 16.446 4.101 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.704 15.296 6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.834 15.994 7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.278 17.320 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.913 17.128 7.494 1.00 0.00 H new ATOM 1335 N SER A 21 -13.555 12.987 0.689 1.00 0.00 N ATOM 1336 CA SER A 21 -14.524 12.832 -0.448 1.00 0.00 C ATOM 1337 C SER A 21 -15.200 14.188 -0.735 1.00 0.00 C ATOM 1338 O SER A 21 -15.201 15.065 0.102 1.00 0.00 O ATOM 1339 CB SER A 21 -15.567 11.758 -0.088 1.00 0.00 C ATOM 1340 OG SER A 21 -16.867 12.328 -0.094 1.00 0.00 O ATOM 0 H SER A 21 -13.949 12.846 1.619 1.00 0.00 H new ATOM 0 HA SER A 21 -13.998 12.513 -1.348 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.517 10.936 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.348 11.340 0.895 1.00 0.00 H new ATOM 0 HG SER A 21 -17.477 11.746 -0.593 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.751 14.367 -1.920 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.410 15.656 -2.292 1.00 0.00 C ATOM 1348 C PRO A 22 -17.445 16.144 -1.255 1.00 0.00 C ATOM 1349 O PRO A 22 -17.783 17.310 -1.222 1.00 0.00 O ATOM 1350 CB PRO A 22 -17.078 15.314 -3.645 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.761 13.844 -3.994 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.755 13.307 -2.969 1.00 0.00 C ATOM 0 HA PRO A 22 -15.699 16.481 -2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.156 15.464 -3.583 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.708 15.977 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.672 13.246 -3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.350 13.774 -5.001 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -16.064 12.342 -2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.767 13.168 -3.407 1.00 0.00 H new ATOM 1360 N MET A 23 -17.950 15.273 -0.413 1.00 0.00 N ATOM 1361 CA MET A 23 -18.959 15.712 0.610 1.00 0.00 C ATOM 1362 C MET A 23 -18.259 15.992 1.947 1.00 0.00 C ATOM 1363 O MET A 23 -18.864 16.472 2.885 1.00 0.00 O ATOM 1364 CB MET A 23 -20.025 14.618 0.790 1.00 0.00 C ATOM 1365 CG MET A 23 -19.377 13.240 0.659 1.00 0.00 C ATOM 1366 SD MET A 23 -20.592 11.958 1.058 1.00 0.00 S ATOM 1367 CE MET A 23 -19.771 10.583 0.212 1.00 0.00 C ATOM 0 H MET A 23 -17.710 14.282 -0.388 1.00 0.00 H new ATOM 0 HA MET A 23 -19.443 16.627 0.268 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.499 14.716 1.767 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.809 14.734 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.003 13.098 -0.355 1.00 0.00 H new ATOM 0 HG3 MET A 23 -18.520 13.165 1.329 1.00 0.00 H new ATOM 0 HE1 MET A 23 -20.363 9.676 0.334 1.00 0.00 H new ATOM 0 HE2 MET A 23 -19.675 10.814 -0.849 1.00 0.00 H new ATOM 0 HE3 MET A 23 -18.781 10.431 0.642 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.986 15.707 2.037 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.238 15.964 3.309 1.00 0.00 C ATOM 1379 C GLY A 24 -16.246 14.710 4.184 1.00 0.00 C ATOM 1380 O GLY A 24 -16.144 14.783 5.392 1.00 0.00 O ATOM 0 H GLY A 24 -16.428 15.306 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.212 16.254 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.694 16.795 3.847 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.366 13.558 3.584 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.384 12.286 4.359 1.00 0.00 C ATOM 1386 C ASP A 25 -14.984 11.624 4.319 1.00 0.00 C ATOM 1387 O ASP A 25 -14.542 11.216 3.263 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.388 11.352 3.680 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.807 11.881 3.901 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.996 13.081 3.789 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.681 11.076 4.179 1.00 0.00 O ATOM 0 H ASP A 25 -16.454 13.443 2.574 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.656 12.479 5.397 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.175 11.286 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.296 10.345 4.087 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.277 11.496 5.436 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.927 10.849 5.409 1.00 0.00 C ATOM 1398 C PRO A 26 -12.947 9.498 4.674 1.00 0.00 C ATOM 1399 O PRO A 26 -13.821 8.681 4.887 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.627 10.680 6.911 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.533 11.658 7.672 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.741 11.968 6.777 1.00 0.00 C ATOM 0 HA PRO A 26 -12.176 11.429 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.817 9.655 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.577 10.888 7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.859 11.222 8.616 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.991 12.572 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.636 11.440 7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.981 13.031 6.773 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.983 9.258 3.817 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.936 7.951 3.072 1.00 0.00 C ATOM 1412 C VAL A 27 -10.487 7.457 2.975 1.00 0.00 C ATOM 1413 O VAL A 27 -9.555 8.228 3.091 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.533 8.116 1.663 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.067 8.153 1.771 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.004 9.419 0.992 1.00 0.00 C ATOM 0 H VAL A 27 -11.227 9.907 3.599 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.528 7.215 3.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.231 7.273 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.499 8.270 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.423 7.223 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.367 8.992 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.438 9.518 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.286 10.280 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.918 9.372 0.912 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.281 6.172 2.768 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.883 5.647 2.675 1.00 0.00 C ATOM 1428 C CYS A 28 -8.325 5.840 1.259 1.00 0.00 C ATOM 1429 O CYS A 28 -9.048 6.042 0.304 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.818 4.161 3.095 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.603 3.062 1.877 1.00 0.00 S ATOM 0 H CYS A 28 -11.016 5.473 2.661 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.262 6.216 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.776 3.868 3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.308 4.037 4.061 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.594 2.433 2.435 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.026 5.805 1.144 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.349 6.013 -0.171 1.00 0.00 C ATOM 1438 C ASN A 29 -7.036 5.232 -1.295 1.00 0.00 C ATOM 1439 O ASN A 29 -7.320 5.768 -2.348 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.907 5.514 -0.041 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.129 5.814 -1.320 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.694 5.853 -2.393 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.843 6.028 -1.248 1.00 0.00 N ATOM 0 H ASN A 29 -6.390 5.637 1.923 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.392 7.073 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.423 5.995 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.902 4.442 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.311 6.229 -2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.370 5.995 -0.345 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.279 3.976 -1.100 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.916 3.173 -2.178 1.00 0.00 C ATOM 1452 C ALA A 30 -9.324 3.702 -2.511 1.00 0.00 C ATOM 1453 O ALA A 30 -9.647 3.921 -3.663 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.995 1.726 -1.728 1.00 0.00 C ATOM 0 H ALA A 30 -7.066 3.466 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.312 3.252 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.461 1.127 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.991 1.350 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.591 1.660 -0.818 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.175 3.893 -1.531 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.555 4.392 -1.845 1.00 0.00 C ATOM 1462 C CYS A 31 -11.478 5.747 -2.535 1.00 0.00 C ATOM 1463 O CYS A 31 -12.216 6.023 -3.440 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.388 4.581 -0.571 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.861 2.989 0.130 1.00 0.00 S ATOM 0 H CYS A 31 -9.981 3.729 -0.543 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.023 3.646 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.815 5.150 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.281 5.163 -0.799 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.953 3.094 1.423 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.618 6.610 -2.095 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.557 7.953 -2.730 1.00 0.00 C ATOM 1472 C GLY A 32 -10.302 7.808 -4.228 1.00 0.00 C ATOM 1473 O GLY A 32 -10.994 8.381 -5.045 1.00 0.00 O ATOM 0 H GLY A 32 -9.960 6.451 -1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.492 8.487 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.764 8.545 -2.273 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.316 7.045 -4.596 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.018 6.862 -6.042 1.00 0.00 C ATOM 1479 C LEU A 33 -10.166 6.112 -6.718 1.00 0.00 C ATOM 1480 O LEU A 33 -10.657 6.512 -7.752 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.737 6.043 -6.179 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.571 6.781 -5.502 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.328 5.875 -5.481 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.261 8.087 -6.265 1.00 0.00 C ATOM 0 H LEU A 33 -8.702 6.539 -3.958 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.897 7.836 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.872 5.062 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.512 5.877 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.849 7.029 -4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.503 6.401 -5.001 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.551 4.964 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.048 5.617 -6.502 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.434 8.604 -5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.988 7.851 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.142 8.728 -6.261 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.595 5.023 -6.145 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.706 4.245 -6.761 1.00 0.00 C ATOM 1498 C TYR A 34 -12.946 5.125 -6.856 1.00 0.00 C ATOM 1499 O TYR A 34 -13.653 5.126 -7.844 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.022 3.035 -5.881 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.116 2.208 -6.517 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.455 2.603 -6.404 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.788 1.042 -7.220 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.463 1.832 -6.993 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.797 0.271 -7.809 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.136 0.666 -7.695 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.130 -0.095 -8.272 1.00 0.00 O ATOM 0 H TYR A 34 -10.224 4.638 -5.276 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.411 3.913 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.127 2.428 -5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.334 3.366 -4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.709 3.502 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.756 0.737 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.495 2.137 -6.906 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.543 -0.628 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.730 -0.869 -8.721 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.222 5.861 -5.823 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.420 6.733 -5.823 1.00 0.00 C ATOM 1519 C TYR A 35 -14.245 7.853 -6.848 1.00 0.00 C ATOM 1520 O TYR A 35 -15.103 8.112 -7.645 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.609 7.337 -4.426 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.028 7.824 -4.285 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.384 9.077 -4.787 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.986 7.017 -3.661 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.705 9.528 -4.667 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.306 7.464 -3.538 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.666 8.721 -4.043 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.969 9.166 -3.925 1.00 0.00 O ATOM 0 H TYR A 35 -12.663 5.896 -4.970 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.297 6.143 -6.087 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.390 6.591 -3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.912 8.162 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.642 9.698 -5.267 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.706 6.048 -3.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.983 10.497 -5.055 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.046 6.842 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.507 8.486 -3.469 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.144 8.528 -6.836 1.00 0.00 N ATOM 1539 CA LYS A 36 -12.958 9.630 -7.819 1.00 0.00 C ATOM 1540 C LYS A 36 -13.043 9.079 -9.245 1.00 0.00 C ATOM 1541 O LYS A 36 -13.611 9.693 -10.124 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.578 10.244 -7.592 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.334 11.383 -8.579 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.032 12.108 -8.214 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.821 11.218 -8.518 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.577 12.036 -8.448 1.00 0.00 N ATOM 0 H LYS A 36 -12.365 8.372 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.736 10.382 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.502 10.617 -6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.809 9.480 -7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.272 10.991 -9.594 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.170 12.082 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.957 13.039 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.040 12.373 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.770 10.397 -7.803 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.922 10.773 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.754 11.434 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.627 12.805 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.481 12.440 -7.495 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.474 7.935 -9.483 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.511 7.354 -10.854 1.00 0.00 C ATOM 1562 C LEU A 37 -13.926 6.862 -11.221 1.00 0.00 C ATOM 1563 O LEU A 37 -14.351 7.019 -12.349 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.508 6.183 -10.923 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.113 6.676 -11.358 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.699 7.930 -10.565 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.098 5.554 -11.111 1.00 0.00 C ATOM 0 H LEU A 37 -11.983 7.374 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.238 8.128 -11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.439 5.700 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.868 5.432 -11.626 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.142 6.938 -12.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.712 8.257 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.422 8.727 -10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.670 7.695 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.106 5.888 -11.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.087 5.300 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.378 4.675 -11.692 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.647 6.242 -10.306 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.020 5.712 -10.651 1.00 0.00 C ATOM 1581 C HIS A 38 -17.127 6.373 -9.801 1.00 0.00 C ATOM 1582 O HIS A 38 -18.283 6.020 -9.913 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.035 4.198 -10.416 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.086 3.523 -11.372 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.495 3.057 -12.613 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.750 3.216 -11.281 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.426 2.501 -13.212 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.336 2.571 -12.443 1.00 0.00 N ATOM 0 H HIS A 38 -14.350 6.080 -9.344 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.224 5.947 -11.696 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.748 3.978 -9.388 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.044 3.809 -10.555 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.117 3.441 -10.436 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.447 2.053 -14.194 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.401 2.226 -12.661 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.798 7.327 -8.972 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.813 8.036 -8.117 1.00 0.00 C ATOM 1598 C GLN A 39 -18.953 7.125 -7.634 1.00 0.00 C ATOM 1599 O GLN A 39 -20.090 7.537 -7.519 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.333 9.273 -8.859 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.253 8.872 -10.020 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.717 10.137 -10.744 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.909 10.940 -11.165 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.994 10.355 -10.903 1.00 0.00 N ATOM 0 H GLN A 39 -15.842 7.658 -8.844 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.310 8.354 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.876 9.916 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.492 9.853 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.724 8.215 -10.710 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.112 8.315 -9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.674 9.682 -10.550 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.312 11.199 -11.380 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.634 5.913 -7.263 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.656 4.986 -6.700 1.00 0.00 C ATOM 1615 C VAL A 40 -19.010 4.239 -5.535 1.00 0.00 C ATOM 1616 O VAL A 40 -17.804 4.107 -5.466 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.140 3.994 -7.754 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.981 4.727 -8.801 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.948 3.301 -8.426 1.00 0.00 C ATOM 0 H VAL A 40 -17.694 5.522 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.524 5.553 -6.365 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.752 3.233 -7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.326 4.017 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.841 5.190 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.376 5.497 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.311 2.597 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.316 4.048 -8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.368 2.765 -7.675 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.792 3.770 -4.606 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.208 3.059 -3.428 1.00 0.00 C ATOM 1631 C ASN A 41 -18.904 1.593 -3.781 1.00 0.00 C ATOM 1632 O ASN A 41 -19.752 0.876 -4.272 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.203 3.114 -2.264 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.404 2.214 -2.570 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.762 2.027 -3.715 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.038 1.638 -1.586 1.00 0.00 N ATOM 0 H ASN A 41 -20.809 3.846 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.276 3.547 -3.143 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.719 2.790 -1.343 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.536 4.140 -2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -22.834 1.031 -1.779 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -21.737 1.795 -0.624 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.697 1.147 -3.527 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.320 -0.269 -3.840 1.00 0.00 C ATOM 1645 C ARG A 42 -17.630 -1.171 -2.629 1.00 0.00 C ATOM 1646 O ARG A 42 -17.572 -0.723 -1.501 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.811 -0.338 -4.116 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.065 0.423 -3.013 1.00 0.00 C ATOM 1649 CD ARG A 42 -13.567 0.099 -3.052 1.00 0.00 C ATOM 1650 NE ARG A 42 -12.944 0.553 -1.778 1.00 0.00 N ATOM 1651 CZ ARG A 42 -11.796 0.064 -1.397 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.181 -0.818 -2.134 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.266 0.455 -0.272 1.00 0.00 N ATOM 0 H ARG A 42 -16.951 1.707 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.885 -0.605 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.481 -1.376 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.586 0.096 -5.090 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.214 1.495 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.475 0.157 -2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.416 -0.972 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.096 0.595 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.417 1.249 -1.201 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.597 -1.128 -3.012 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.284 -1.198 -1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.749 1.141 0.308 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.369 0.074 0.028 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.930 -2.439 -2.837 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.200 -3.356 -1.690 1.00 0.00 C ATOM 1669 C PRO A 43 -16.918 -3.610 -0.871 1.00 0.00 C ATOM 1670 O PRO A 43 -15.825 -3.574 -1.399 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.674 -4.632 -2.409 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.203 -4.539 -3.867 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.026 -3.051 -4.197 1.00 0.00 C ATOM 0 HA PRO A 43 -18.920 -2.968 -0.970 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.262 -5.519 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.759 -4.719 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.265 -5.077 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -18.932 -4.997 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.130 -2.869 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -18.869 -2.656 -4.763 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.037 -3.850 0.408 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.815 -4.086 1.248 1.00 0.00 C ATOM 1683 C LEU A 44 -15.044 -5.310 0.746 1.00 0.00 C ATOM 1684 O LEU A 44 -14.079 -5.728 1.354 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.236 -4.319 2.710 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.280 -2.993 3.465 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.369 -2.094 2.872 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.592 -3.273 4.937 1.00 0.00 C ATOM 0 H LEU A 44 -17.923 -3.894 0.911 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.170 -3.210 1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.215 -4.797 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.534 -4.998 3.194 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.318 -2.488 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.396 -1.149 3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.151 -1.903 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.336 -2.589 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.626 -2.333 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.557 -3.774 5.015 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.816 -3.912 5.358 1.00 0.00 H new ATOM 1700 N THR A 45 -15.440 -5.888 -0.342 1.00 0.00 N ATOM 1701 CA THR A 45 -14.698 -7.072 -0.834 1.00 0.00 C ATOM 1702 C THR A 45 -13.241 -6.671 -1.131 1.00 0.00 C ATOM 1703 O THR A 45 -12.376 -7.511 -1.281 1.00 0.00 O ATOM 1704 CB THR A 45 -15.387 -7.617 -2.092 1.00 0.00 C ATOM 1705 OG1 THR A 45 -14.955 -8.948 -2.326 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.052 -6.748 -3.305 1.00 0.00 C ATOM 0 H THR A 45 -16.237 -5.598 -0.909 1.00 0.00 H new ATOM 0 HA THR A 45 -14.694 -7.856 -0.077 1.00 0.00 H new ATOM 0 HB THR A 45 -16.466 -7.601 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.395 -9.299 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.549 -7.149 -4.188 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.394 -5.728 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.974 -6.746 -3.465 1.00 0.00 H new ATOM 1714 N MET A 46 -12.967 -5.387 -1.210 1.00 0.00 N ATOM 1715 CA MET A 46 -11.564 -4.924 -1.494 1.00 0.00 C ATOM 1716 C MET A 46 -10.886 -4.504 -0.188 1.00 0.00 C ATOM 1717 O MET A 46 -9.717 -4.174 -0.163 1.00 0.00 O ATOM 1718 CB MET A 46 -11.597 -3.705 -2.424 1.00 0.00 C ATOM 1719 CG MET A 46 -12.097 -4.105 -3.815 1.00 0.00 C ATOM 1720 SD MET A 46 -10.792 -4.993 -4.707 1.00 0.00 S ATOM 1721 CE MET A 46 -9.938 -3.550 -5.400 1.00 0.00 C ATOM 0 H MET A 46 -13.652 -4.640 -1.091 1.00 0.00 H new ATOM 0 HA MET A 46 -11.015 -5.742 -1.962 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.247 -2.937 -2.004 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.600 -3.271 -2.500 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.982 -4.735 -3.726 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.393 -3.217 -4.374 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.087 -3.882 -5.995 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.626 -2.989 -6.032 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.587 -2.911 -4.590 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.614 -4.493 0.890 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.020 -4.068 2.187 1.00 0.00 C ATOM 1733 C ARG A 47 -10.221 -5.216 2.805 1.00 0.00 C ATOM 1734 O ARG A 47 -10.716 -6.312 2.983 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.156 -3.641 3.120 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.616 -3.314 4.510 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.752 -2.718 5.342 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.278 -2.438 6.738 1.00 0.00 N ATOM 1739 CZ ARG A 47 -11.814 -3.384 7.512 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -11.896 -4.636 7.155 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -11.309 -3.076 8.676 1.00 0.00 N ATOM 0 H ARG A 47 -12.597 -4.760 0.930 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.338 -3.233 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.665 -2.770 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.896 -4.439 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.228 -4.214 4.987 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.788 -2.609 4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.108 -1.798 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.595 -3.408 5.368 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.319 -1.483 7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -12.325 -4.885 6.264 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.531 -5.366 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.278 -2.102 8.977 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.945 -3.810 9.284 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.984 -4.955 3.149 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.114 -5.996 3.776 1.00 0.00 C ATOM 1757 C LYS A 48 -7.639 -5.461 5.126 1.00 0.00 C ATOM 1758 O LYS A 48 -7.343 -4.290 5.259 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.895 -6.252 2.881 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.342 -6.672 1.474 1.00 0.00 C ATOM 1761 CD LYS A 48 -8.020 -8.046 1.515 1.00 0.00 C ATOM 1762 CE LYS A 48 -8.076 -8.629 0.099 1.00 0.00 C ATOM 1763 NZ LYS A 48 -8.771 -7.670 -0.808 1.00 0.00 N ATOM 0 H LYS A 48 -8.534 -4.049 3.019 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.668 -6.926 3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.284 -5.351 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.272 -7.031 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.032 -5.931 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.481 -6.704 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.469 -8.716 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.027 -7.955 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.067 -8.824 -0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.602 -9.584 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.080 -8.167 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.599 -7.271 -0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.119 -6.903 -1.068 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.583 -6.293 6.135 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.145 -5.819 7.484 1.00 0.00 C ATOM 1779 C ASP A 49 -5.959 -4.857 7.360 1.00 0.00 C ATOM 1780 O ASP A 49 -6.126 -3.654 7.308 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.723 -7.024 8.326 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.293 -6.551 9.714 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -7.164 -6.328 10.539 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -5.099 -6.414 9.929 1.00 0.00 O ATOM 0 H ASP A 49 -7.822 -7.283 6.083 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.975 -5.296 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.550 -7.729 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.902 -7.551 7.840 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.763 -5.376 7.327 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.567 -4.494 7.225 1.00 0.00 C ATOM 1791 C GLY A 50 -3.466 -3.915 5.815 1.00 0.00 C ATOM 1792 O GLY A 50 -4.333 -4.110 4.987 1.00 0.00 O ATOM 0 H GLY A 50 -4.562 -6.375 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.636 -3.687 7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.666 -5.060 7.460 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.398 -3.215 5.529 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.215 -2.640 4.172 1.00 0.00 C ATOM 1798 C ILE A 51 -1.424 -3.631 3.315 1.00 0.00 C ATOM 1799 O ILE A 51 -0.463 -4.222 3.765 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.446 -1.326 4.277 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.112 -0.445 5.346 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.466 -0.612 2.916 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.632 0.999 5.210 1.00 0.00 C ATOM 0 H ILE A 51 -1.642 -3.018 6.185 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.186 -2.452 3.715 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.411 -1.518 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.196 -0.488 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.874 -0.823 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.917 0.327 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.998 -1.248 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.497 -0.408 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.110 1.615 5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.550 1.037 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.893 1.378 4.222 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.804 -3.799 2.084 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.052 -4.734 1.203 1.00 0.00 C ATOM 1817 C GLN A 52 0.267 -4.058 0.800 1.00 0.00 C ATOM 1818 O GLN A 52 0.350 -2.851 0.734 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.899 -5.063 -0.035 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.059 -5.973 0.371 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.045 -6.105 -0.794 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.390 -7.201 -1.191 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.515 -5.028 -1.363 1.00 0.00 N ATOM 0 H GLN A 52 -2.600 -3.332 1.648 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.836 -5.667 1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.281 -4.145 -0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.284 -5.553 -0.790 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.681 -6.956 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.566 -5.564 1.245 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.226 -4.108 -1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.171 -5.107 -2.140 1.00 0.00 H new ATOM 1832 N THR A 53 1.308 -4.818 0.551 1.00 0.00 N ATOM 1833 CA THR A 53 2.621 -4.197 0.165 1.00 0.00 C ATOM 1834 C THR A 53 3.233 -4.967 -1.001 1.00 0.00 C ATOM 1835 O THR A 53 2.938 -6.121 -1.230 1.00 0.00 O ATOM 1836 CB THR A 53 3.598 -4.226 1.347 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.930 -4.301 0.857 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.309 -5.438 2.219 1.00 0.00 C ATOM 0 H THR A 53 1.308 -5.837 0.597 1.00 0.00 H new ATOM 0 HA THR A 53 2.439 -3.162 -0.126 1.00 0.00 H new ATOM 0 HB THR A 53 3.478 -3.319 1.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.556 -4.318 1.611 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.004 -5.457 3.058 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.288 -5.380 2.595 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.428 -6.347 1.629 1.00 0.00 H new ATOM 1846 N ARG A 54 4.093 -4.311 -1.722 1.00 0.00 N ATOM 1847 CA ARG A 54 4.769 -4.943 -2.891 1.00 0.00 C ATOM 1848 C ARG A 54 6.152 -4.312 -3.068 1.00 0.00 C ATOM 1849 O ARG A 54 6.469 -3.302 -2.472 1.00 0.00 O ATOM 1850 CB ARG A 54 3.899 -4.726 -4.158 1.00 0.00 C ATOM 1851 CG ARG A 54 2.990 -5.960 -4.415 1.00 0.00 C ATOM 1852 CD ARG A 54 1.678 -5.533 -5.084 1.00 0.00 C ATOM 1853 NE ARG A 54 1.951 -4.969 -6.433 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.968 -4.811 -7.280 1.00 0.00 C ATOM 1855 NH1 ARG A 54 -0.247 -5.145 -6.935 1.00 0.00 N ATOM 1856 NH2 ARG A 54 1.197 -4.302 -8.458 1.00 0.00 N ATOM 0 H ARG A 54 4.363 -3.343 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 54 4.890 -6.014 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.285 -3.834 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.541 -4.554 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.511 -6.677 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.777 -6.464 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.008 -6.389 -5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.171 -4.791 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 54 2.901 -4.707 -6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.427 -5.528 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.016 -5.023 -7.594 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.144 -4.027 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.429 -4.179 -9.118 1.00 0.00 H new ATOM 1870 N ASN A 55 6.976 -4.918 -3.871 1.00 0.00 N ATOM 1871 CA ASN A 55 8.347 -4.379 -4.081 1.00 0.00 C ATOM 1872 C ASN A 55 8.271 -2.926 -4.559 1.00 0.00 C ATOM 1873 O ASN A 55 7.374 -2.532 -5.277 1.00 0.00 O ATOM 1874 CB ASN A 55 9.085 -5.247 -5.104 1.00 0.00 C ATOM 1875 CG ASN A 55 9.492 -6.565 -4.441 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.652 -6.629 -3.238 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.668 -7.627 -5.177 1.00 0.00 N ATOM 0 H ASN A 55 6.760 -5.767 -4.394 1.00 0.00 H new ATOM 0 HA ASN A 55 8.896 -4.401 -3.139 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.445 -5.441 -5.964 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.967 -4.724 -5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.939 -8.509 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.534 -7.576 -6.187 1.00 0.00 H new ATOM 1884 N ARG A 56 9.200 -2.124 -4.115 1.00 0.00 N ATOM 1885 CA ARG A 56 9.207 -0.670 -4.470 1.00 0.00 C ATOM 1886 C ARG A 56 9.365 -0.442 -5.978 1.00 0.00 C ATOM 1887 O ARG A 56 10.312 -0.893 -6.592 1.00 0.00 O ATOM 1888 CB ARG A 56 10.395 0.004 -3.774 1.00 0.00 C ATOM 1889 CG ARG A 56 10.278 -0.116 -2.249 1.00 0.00 C ATOM 1890 CD ARG A 56 9.279 0.914 -1.710 1.00 0.00 C ATOM 1891 NE ARG A 56 9.441 1.054 -0.223 1.00 0.00 N ATOM 1892 CZ ARG A 56 9.354 0.025 0.579 1.00 0.00 C ATOM 1893 NH1 ARG A 56 8.947 -1.131 0.133 1.00 0.00 N ATOM 1894 NH2 ARG A 56 9.624 0.170 1.847 1.00 0.00 N ATOM 0 H ARG A 56 9.968 -2.417 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 56 8.253 -0.251 -4.151 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.325 -0.455 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.439 1.056 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.955 -1.122 -1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.254 0.039 -1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.440 1.877 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.261 0.604 -1.946 1.00 0.00 H new ATOM 0 HE ARG A 56 9.624 1.977 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.693 -1.238 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.882 -1.928 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.901 1.083 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.558 -0.629 2.477 1.00 0.00 H new ATOM 1908 N LYS A 57 8.457 0.298 -6.563 1.00 0.00 N ATOM 1909 CA LYS A 57 8.555 0.613 -8.019 1.00 0.00 C ATOM 1910 C LYS A 57 9.975 1.113 -8.314 1.00 0.00 C ATOM 1911 O LYS A 57 10.748 1.357 -7.408 1.00 0.00 O ATOM 1912 CB LYS A 57 7.528 1.710 -8.348 1.00 0.00 C ATOM 1913 CG LYS A 57 7.737 2.227 -9.774 1.00 0.00 C ATOM 1914 CD LYS A 57 6.507 3.027 -10.220 1.00 0.00 C ATOM 1915 CE LYS A 57 6.317 4.262 -9.326 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.516 5.283 -10.059 1.00 0.00 N ATOM 0 H LYS A 57 7.647 0.700 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 57 8.350 -0.269 -8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.518 1.315 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.625 2.532 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.626 2.856 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.905 1.391 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.624 3.337 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.619 2.397 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.812 3.982 -8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.286 4.675 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.386 6.120 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.016 5.557 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.587 4.885 -10.304 1.00 0.00 H new ATOM 1930 N VAL A 58 10.336 1.256 -9.558 1.00 0.00 N ATOM 1931 CA VAL A 58 11.715 1.728 -9.872 1.00 0.00 C ATOM 1932 C VAL A 58 11.980 3.039 -9.132 1.00 0.00 C ATOM 1933 O VAL A 58 11.118 3.889 -9.035 1.00 0.00 O ATOM 1934 CB VAL A 58 11.843 1.964 -11.376 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.268 2.417 -11.702 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.536 0.663 -12.118 1.00 0.00 C ATOM 0 H VAL A 58 9.742 1.069 -10.366 1.00 0.00 H new ATOM 0 HA VAL A 58 12.438 0.975 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 58 11.139 2.736 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.360 2.585 -12.775 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.486 3.343 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 58 13.974 1.646 -11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.626 0.827 -13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.241 -0.108 -11.808 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.521 0.341 -11.884 1.00 0.00 H new