USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 180:sc= -0.0953 USER MOD Set 1.2: A 29 ASN : amide:sc= -5.69! C(o=-5.8!,f=-4.9!) USER MOD Set 2.1: A 7 CYS SG : rot 157:sc= 0.191 USER MOD Set 2.2: A 10 CYS SG : rot -50:sc= 0.223 USER MOD Set 2.3: A 28 CYS SG : rot -124:sc= 0.891 USER MOD Set 2.4: A 31 CYS SG : rot 87:sc= 0.0159 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 83:sc= 0.426 USER MOD Single : A 9 ASN : amide:sc= -4.06! C(o=-4.1!,f=-3.4!) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 43:sc= 1.01 USER MOD Single : A 14 THR OG1 : rot 58:sc= 0.559 USER MOD Single : A 15 THR OG1 : rot -134:sc= 1.19 USER MOD Single : A 21 SER OG : rot -170:sc= 0 USER MOD Single : A 23 MET CE :methyl 177:sc= 0 (180deg=-0.00308) 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+ 167:sc=-0.000641 (180deg=-0.394) USER MOD Single : A 38 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.15) USER MOD Single : A 39 GLN : amide:sc= -0.0376 K(o=-0.038,f=-2!) USER MOD Single : A 41 ASN : amide:sc= -1.08 K(o=-1.1,f=-7.5!) 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= -1.4! X(o=-1.4!,f=-1) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 55 ASN : amide:sc=-0.000249 X(o=-0.00025,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.922 10.469 14.302 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.554 9.796 15.473 1.00 0.00 C ATOM 1070 C ALA A 3 -9.065 9.636 15.249 1.00 0.00 C ATOM 1071 O ALA A 3 -9.788 10.605 15.128 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.329 10.668 16.711 1.00 0.00 C ATOM 0 HA ALA A 3 -7.110 8.809 15.605 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.785 10.192 17.579 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.259 10.787 16.882 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.783 11.647 16.554 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.553 8.421 15.221 1.00 0.00 N ATOM 1079 CA GLY A 4 -11.023 8.201 15.038 1.00 0.00 C ATOM 1080 C GLY A 4 -11.397 8.202 13.552 1.00 0.00 C ATOM 1081 O GLY A 4 -12.514 7.890 13.190 1.00 0.00 O ATOM 0 H GLY A 4 -8.998 7.571 15.317 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.311 7.251 15.489 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.579 8.982 15.557 1.00 0.00 H new ATOM 1085 N THR A 5 -10.493 8.566 12.688 1.00 0.00 N ATOM 1086 CA THR A 5 -10.835 8.597 11.237 1.00 0.00 C ATOM 1087 C THR A 5 -11.028 7.178 10.707 1.00 0.00 C ATOM 1088 O THR A 5 -10.101 6.396 10.635 1.00 0.00 O ATOM 1089 CB THR A 5 -9.712 9.269 10.455 1.00 0.00 C ATOM 1090 OG1 THR A 5 -9.333 10.467 11.113 1.00 0.00 O ATOM 1091 CG2 THR A 5 -10.191 9.594 9.035 1.00 0.00 C ATOM 0 H THR A 5 -9.539 8.842 12.919 1.00 0.00 H new ATOM 0 HA THR A 5 -11.761 9.159 11.112 1.00 0.00 H new ATOM 0 HB THR A 5 -8.857 8.595 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.610 10.900 10.613 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.385 10.074 8.480 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.481 8.673 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.048 10.266 9.085 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.228 6.863 10.303 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.530 5.516 9.730 1.00 0.00 C ATOM 1101 C VAL A 6 -13.004 5.744 8.303 1.00 0.00 C ATOM 1102 O VAL A 6 -13.687 6.710 8.023 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.621 4.826 10.549 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.095 4.547 11.957 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.850 5.731 10.631 1.00 0.00 C ATOM 0 H VAL A 6 -13.029 7.493 10.346 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.649 4.874 9.751 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.898 3.887 10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.870 4.055 12.544 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.220 3.900 11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.819 5.487 12.435 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.627 5.238 11.215 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.578 6.672 11.110 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.223 5.930 9.626 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.637 4.902 7.385 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.059 5.127 5.981 1.00 0.00 C ATOM 1117 C CYS A 7 -14.572 5.137 5.857 1.00 0.00 C ATOM 1118 O CYS A 7 -15.247 4.167 6.136 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.466 4.022 5.117 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.876 4.298 3.376 1.00 0.00 S ATOM 0 H CYS A 7 -12.066 4.072 7.544 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.698 6.100 5.648 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.384 3.994 5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.850 3.054 5.439 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.009 3.687 2.624 1.00 0.00 H new ATOM 1125 N SER A 8 -15.102 6.237 5.422 1.00 0.00 N ATOM 1126 CA SER A 8 -16.565 6.343 5.249 1.00 0.00 C ATOM 1127 C SER A 8 -17.034 5.291 4.249 1.00 0.00 C ATOM 1128 O SER A 8 -18.085 4.702 4.405 1.00 0.00 O ATOM 1129 CB SER A 8 -16.913 7.733 4.719 1.00 0.00 C ATOM 1130 OG SER A 8 -16.644 8.700 5.726 1.00 0.00 O ATOM 0 H SER A 8 -14.576 7.076 5.177 1.00 0.00 H new ATOM 0 HA SER A 8 -17.058 6.182 6.208 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.329 7.950 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.964 7.773 4.432 1.00 0.00 H new ATOM 0 HG SER A 8 -15.691 8.927 5.716 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.286 5.070 3.194 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.740 4.081 2.183 1.00 0.00 C ATOM 1138 C ASN A 9 -16.527 2.642 2.659 1.00 0.00 C ATOM 1139 O ASN A 9 -17.357 1.799 2.385 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.980 4.311 0.875 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.454 5.625 0.252 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.550 6.075 0.525 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.676 6.266 -0.574 1.00 0.00 N ATOM 0 H ASN A 9 -15.396 5.527 2.996 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.810 4.222 2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.907 4.349 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.154 3.483 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.987 7.144 -0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -14.756 5.890 -0.804 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.431 2.316 3.339 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.241 0.880 3.767 1.00 0.00 C ATOM 1152 C CYS A 10 -14.869 0.740 5.259 1.00 0.00 C ATOM 1153 O CYS A 10 -14.566 -0.343 5.707 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.218 0.173 2.851 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.512 0.610 3.274 1.00 0.00 S ATOM 0 H CYS A 10 -14.687 2.961 3.606 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.204 0.382 3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.346 -0.907 2.930 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.414 0.442 1.813 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.404 1.902 3.363 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.958 1.790 6.042 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.696 1.697 7.527 1.00 0.00 C ATOM 1162 C GLN A 11 -13.272 1.250 7.899 1.00 0.00 C ATOM 1163 O GLN A 11 -12.978 1.075 9.065 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.715 0.741 8.166 1.00 0.00 C ATOM 1165 CG GLN A 11 -17.101 1.385 8.144 1.00 0.00 C ATOM 1166 CD GLN A 11 -18.119 0.420 8.755 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.064 -0.769 8.514 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -19.050 0.883 9.543 1.00 0.00 N ATOM 0 H GLN A 11 -15.204 2.724 5.715 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.802 2.710 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.733 -0.204 7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.424 0.514 9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -17.089 2.320 8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.384 1.630 7.120 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.097 1.882 9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.731 0.246 9.956 1.00 0.00 H new ATOM 1177 N THR A 12 -12.380 1.071 6.971 1.00 0.00 N ATOM 1178 CA THR A 12 -11.000 0.651 7.371 1.00 0.00 C ATOM 1179 C THR A 12 -10.349 1.787 8.186 1.00 0.00 C ATOM 1180 O THR A 12 -10.807 2.912 8.140 1.00 0.00 O ATOM 1181 CB THR A 12 -10.173 0.357 6.105 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.917 -0.191 6.475 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.951 1.638 5.294 1.00 0.00 C ATOM 0 H THR A 12 -12.535 1.193 5.970 1.00 0.00 H new ATOM 0 HA THR A 12 -11.040 -0.250 7.983 1.00 0.00 H new ATOM 0 HB THR A 12 -10.721 -0.356 5.489 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.392 -0.379 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.365 1.408 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.915 2.052 4.997 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.415 2.366 5.903 1.00 0.00 H new ATOM 1191 N SER A 13 -9.281 1.525 8.914 1.00 0.00 N ATOM 1192 CA SER A 13 -8.610 2.627 9.703 1.00 0.00 C ATOM 1193 C SER A 13 -7.086 2.526 9.510 1.00 0.00 C ATOM 1194 O SER A 13 -6.315 3.108 10.248 1.00 0.00 O ATOM 1195 CB SER A 13 -8.974 2.495 11.193 1.00 0.00 C ATOM 1196 OG SER A 13 -7.792 2.522 11.988 1.00 0.00 O ATOM 0 H SER A 13 -8.846 0.606 8.998 1.00 0.00 H new ATOM 0 HA SER A 13 -8.952 3.599 9.349 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.638 3.308 11.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.515 1.564 11.363 1.00 0.00 H new ATOM 0 HG SER A 13 -7.188 3.218 11.653 1.00 0.00 H new ATOM 1202 N THR A 14 -6.657 1.790 8.519 1.00 0.00 N ATOM 1203 CA THR A 14 -5.193 1.626 8.242 1.00 0.00 C ATOM 1204 C THR A 14 -4.896 2.131 6.836 1.00 0.00 C ATOM 1205 O THR A 14 -4.319 1.458 6.031 1.00 0.00 O ATOM 1206 CB THR A 14 -4.842 0.145 8.330 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.396 -0.541 7.217 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.422 -0.418 9.620 1.00 0.00 C ATOM 0 H THR A 14 -7.268 1.285 7.877 1.00 0.00 H new ATOM 0 HA THR A 14 -4.606 2.191 8.966 1.00 0.00 H new ATOM 0 HB THR A 14 -3.760 0.017 8.324 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.052 -0.150 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.178 -1.478 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.999 0.114 10.472 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.505 -0.294 9.617 1.00 0.00 H new ATOM 1216 N THR A 15 -5.369 3.282 6.522 1.00 0.00 N ATOM 1217 CA THR A 15 -5.197 3.825 5.140 1.00 0.00 C ATOM 1218 C THR A 15 -3.774 4.321 4.885 1.00 0.00 C ATOM 1219 O THR A 15 -3.099 4.803 5.774 1.00 0.00 O ATOM 1220 CB THR A 15 -6.152 4.999 4.983 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.563 6.159 5.556 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.438 4.671 5.727 1.00 0.00 C ATOM 0 H THR A 15 -5.878 3.891 7.162 1.00 0.00 H new ATOM 0 HA THR A 15 -5.402 3.027 4.427 1.00 0.00 H new ATOM 0 HB THR A 15 -6.360 5.180 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.225 6.622 6.111 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.138 5.501 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.882 3.769 5.306 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.217 4.508 6.782 1.00 0.00 H new ATOM 1230 N THR A 16 -3.333 4.244 3.653 1.00 0.00 N ATOM 1231 CA THR A 16 -1.978 4.750 3.316 1.00 0.00 C ATOM 1232 C THR A 16 -2.048 6.279 3.298 1.00 0.00 C ATOM 1233 O THR A 16 -1.195 6.959 3.834 1.00 0.00 O ATOM 1234 CB THR A 16 -1.552 4.238 1.937 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.617 4.419 1.016 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.183 2.760 2.010 1.00 0.00 C ATOM 0 H THR A 16 -3.857 3.852 2.871 1.00 0.00 H new ATOM 0 HA THR A 16 -1.250 4.403 4.050 1.00 0.00 H new ATOM 0 HB THR A 16 -0.680 4.801 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.345 4.093 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.882 2.411 1.022 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.358 2.625 2.709 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.045 2.186 2.351 1.00 0.00 H new ATOM 1244 N LEU A 17 -3.088 6.824 2.710 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.252 8.312 2.687 1.00 0.00 C ATOM 1246 C LEU A 17 -4.752 8.622 2.810 1.00 0.00 C ATOM 1247 O LEU A 17 -5.570 8.049 2.113 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.684 8.907 1.377 1.00 0.00 C ATOM 1249 CG LEU A 17 -2.103 10.311 1.630 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.767 10.213 2.403 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.880 11.007 0.277 1.00 0.00 C ATOM 0 H LEU A 17 -3.830 6.301 2.245 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.702 8.761 3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.909 8.252 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.471 8.963 0.625 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.803 10.890 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.371 11.214 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.936 9.722 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.051 9.634 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.469 12.003 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.183 10.422 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.830 11.091 -0.250 1.00 0.00 H new ATOM 1263 N TRP A 18 -5.122 9.508 3.696 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.564 9.845 3.870 1.00 0.00 C ATOM 1265 C TRP A 18 -7.008 10.820 2.777 1.00 0.00 C ATOM 1266 O TRP A 18 -6.369 11.824 2.534 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.742 10.516 5.235 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.690 9.489 6.324 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.678 9.348 7.210 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.673 8.466 6.663 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.980 8.306 8.070 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.197 7.738 7.777 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.917 8.102 6.122 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.926 6.693 8.339 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.654 7.046 6.684 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.160 6.346 7.790 1.00 0.00 C ATOM 0 H TRP A 18 -4.484 10.015 4.309 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.164 8.937 3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.960 11.260 5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.695 11.044 5.268 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.782 9.949 7.241 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.373 7.997 8.829 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.309 8.637 5.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.539 6.156 9.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.609 6.773 6.259 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.734 5.538 8.218 1.00 0.00 H new ATOM 1287 N ARG A 19 -8.095 10.524 2.111 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.595 11.419 1.019 1.00 0.00 C ATOM 1289 C ARG A 19 -9.982 11.945 1.403 1.00 0.00 C ATOM 1290 O ARG A 19 -10.886 11.173 1.615 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.744 10.598 -0.283 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.552 9.659 -0.492 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.323 10.456 -0.919 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.179 9.509 -1.100 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.065 9.877 -1.692 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.901 11.091 -2.140 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.103 9.014 -1.822 1.00 0.00 N ATOM 0 H ARG A 19 -8.664 9.694 2.277 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.895 12.242 0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.665 10.016 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.830 11.274 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.341 9.117 0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.794 8.915 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.523 10.990 -1.848 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.078 11.206 -0.167 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.266 8.553 -0.755 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.647 11.779 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.027 11.353 -2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.218 8.065 -1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.233 9.286 -2.279 1.00 0.00 H new ATOM 1311 N ARG A 20 -10.198 13.223 1.477 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.577 13.678 1.818 1.00 0.00 C ATOM 1313 C ARG A 20 -12.466 13.411 0.602 1.00 0.00 C ATOM 1314 O ARG A 20 -12.048 13.567 -0.528 1.00 0.00 O ATOM 1315 CB ARG A 20 -11.593 15.171 2.159 1.00 0.00 C ATOM 1316 CG ARG A 20 -10.749 15.439 3.413 1.00 0.00 C ATOM 1317 CD ARG A 20 -11.471 14.927 4.669 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.812 15.494 5.877 1.00 0.00 N ATOM 1319 CZ ARG A 20 -11.406 15.419 7.036 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -12.540 14.782 7.148 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -10.860 15.969 8.085 1.00 0.00 N ATOM 0 H ARG A 20 -9.506 13.957 1.322 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.940 13.137 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.203 15.747 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.618 15.502 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.780 14.948 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.557 16.508 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.521 15.217 4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.442 13.838 4.701 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.898 15.940 5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.961 14.343 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.005 14.723 8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.969 16.458 7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.324 15.911 8.991 1.00 0.00 H new ATOM 1335 N SER A 21 -13.689 13.007 0.821 1.00 0.00 N ATOM 1336 CA SER A 21 -14.603 12.726 -0.330 1.00 0.00 C ATOM 1337 C SER A 21 -15.367 14.010 -0.685 1.00 0.00 C ATOM 1338 O SER A 21 -15.512 14.886 0.138 1.00 0.00 O ATOM 1339 CB SER A 21 -15.581 11.609 0.068 1.00 0.00 C ATOM 1340 OG SER A 21 -15.009 10.347 -0.251 1.00 0.00 O ATOM 0 H SER A 21 -14.096 12.859 1.744 1.00 0.00 H new ATOM 0 HA SER A 21 -14.032 12.402 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.798 11.663 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.528 11.735 -0.457 1.00 0.00 H new ATOM 0 HG SER A 21 -15.685 9.646 -0.147 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.848 14.129 -1.902 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.606 15.344 -2.313 1.00 0.00 C ATOM 1348 C PRO A 22 -17.715 15.730 -1.311 1.00 0.00 C ATOM 1349 O PRO A 22 -18.142 16.866 -1.262 1.00 0.00 O ATOM 1350 CB PRO A 22 -17.202 14.917 -3.673 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.655 13.519 -4.038 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.660 13.087 -2.955 1.00 0.00 C ATOM 0 HA PRO A 22 -15.977 16.233 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -18.290 14.894 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.937 15.640 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.471 12.800 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -16.166 13.546 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.879 12.088 -2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.636 13.070 -3.329 1.00 0.00 H new ATOM 1360 N MET A 23 -18.188 14.797 -0.518 1.00 0.00 N ATOM 1361 CA MET A 23 -19.269 15.119 0.469 1.00 0.00 C ATOM 1362 C MET A 23 -18.639 15.499 1.818 1.00 0.00 C ATOM 1363 O MET A 23 -19.303 15.971 2.718 1.00 0.00 O ATOM 1364 CB MET A 23 -20.170 13.889 0.644 1.00 0.00 C ATOM 1365 CG MET A 23 -21.477 14.289 1.337 1.00 0.00 C ATOM 1366 SD MET A 23 -22.484 15.286 0.209 1.00 0.00 S ATOM 1367 CE MET A 23 -23.299 13.918 -0.653 1.00 0.00 C ATOM 0 H MET A 23 -17.872 13.827 -0.512 1.00 0.00 H new ATOM 0 HA MET A 23 -19.863 15.958 0.105 1.00 0.00 H new ATOM 0 HB2 MET A 23 -20.386 13.445 -0.328 1.00 0.00 H new ATOM 0 HB3 MET A 23 -19.654 13.131 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 23 -22.027 13.398 1.640 1.00 0.00 H new ATOM 0 HG3 MET A 23 -21.261 14.854 2.244 1.00 0.00 H new ATOM 0 HE1 MET A 23 -24.017 14.316 -1.370 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.552 13.323 -1.179 1.00 0.00 H new ATOM 0 HE3 MET A 23 -23.819 13.290 0.071 1.00 0.00 H new ATOM 1377 N GLY A 24 -17.360 15.291 1.963 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.679 15.627 3.249 1.00 0.00 C ATOM 1379 C GLY A 24 -16.659 14.383 4.136 1.00 0.00 C ATOM 1380 O GLY A 24 -16.548 14.468 5.344 1.00 0.00 O ATOM 0 H GLY A 24 -16.752 14.901 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.662 15.971 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.202 16.440 3.752 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.765 13.224 3.540 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.757 11.948 4.313 1.00 0.00 C ATOM 1386 C ASP A 25 -15.357 11.297 4.209 1.00 0.00 C ATOM 1387 O ASP A 25 -14.970 10.868 3.142 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.772 11.005 3.664 1.00 0.00 C ATOM 1389 CG ASP A 25 -19.103 11.737 3.480 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -19.223 12.844 3.980 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.979 11.179 2.840 1.00 0.00 O ATOM 0 H ASP A 25 -16.858 13.107 2.531 1.00 0.00 H new ATOM 0 HA ASP A 25 -17.001 12.136 5.358 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.399 10.659 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.914 10.122 4.287 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.587 11.207 5.274 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.232 10.583 5.177 1.00 0.00 C ATOM 1398 C PRO A 26 -13.246 9.202 4.486 1.00 0.00 C ATOM 1399 O PRO A 26 -14.108 8.381 4.732 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.827 10.471 6.658 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.710 11.445 7.453 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.979 11.703 6.629 1.00 0.00 C ATOM 0 HA PRO A 26 -12.542 11.164 4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.963 9.451 7.016 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.773 10.717 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.965 11.024 8.426 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.178 12.378 7.639 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.838 11.163 7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -15.246 12.760 6.614 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.270 8.941 3.647 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.187 7.605 2.956 1.00 0.00 C ATOM 1412 C VAL A 27 -10.733 7.144 2.903 1.00 0.00 C ATOM 1413 O VAL A 27 -9.821 7.932 3.049 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.731 7.681 1.528 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.257 7.775 1.562 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.127 8.897 0.827 1.00 0.00 C ATOM 0 H VAL A 27 -11.524 9.595 3.408 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.791 6.898 3.524 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.456 6.783 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.641 7.829 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.665 6.894 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.554 8.669 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.510 8.957 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.397 9.802 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.042 8.800 0.801 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.496 5.875 2.681 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.090 5.397 2.605 1.00 0.00 C ATOM 1428 C CYS A 28 -8.543 5.633 1.193 1.00 0.00 C ATOM 1429 O CYS A 28 -9.278 5.737 0.231 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.998 3.917 3.027 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.734 2.806 1.799 1.00 0.00 S ATOM 0 H CYS A 28 -11.211 5.159 2.551 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.472 5.963 3.302 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.952 3.648 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.502 3.782 3.984 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.649 2.077 2.366 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.252 5.756 1.086 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.602 6.032 -0.228 1.00 0.00 C ATOM 1438 C ASN A 29 -7.200 5.181 -1.362 1.00 0.00 C ATOM 1439 O ASN A 29 -7.385 5.661 -2.466 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.110 5.708 -0.083 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.373 5.969 -1.396 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.946 5.873 -2.463 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.106 6.272 -1.362 1.00 0.00 N ATOM 0 H ASN A 29 -6.604 5.675 1.870 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.765 7.077 -0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.676 6.316 0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.985 4.665 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.596 6.429 -2.231 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.625 6.353 -0.466 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.485 3.937 -1.129 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.037 3.099 -2.236 1.00 0.00 C ATOM 1452 C ALA A 30 -9.489 3.486 -2.583 1.00 0.00 C ATOM 1453 O ALA A 30 -9.824 3.661 -3.738 1.00 0.00 O ATOM 1454 CB ALA A 30 -7.973 1.634 -1.836 1.00 0.00 C ATOM 0 H ALA A 30 -7.364 3.462 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.432 3.273 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.375 1.019 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.937 1.353 -1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.561 1.478 -0.932 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.361 3.597 -1.610 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.790 3.944 -1.921 1.00 0.00 C ATOM 1462 C CYS A 31 -11.867 5.270 -2.672 1.00 0.00 C ATOM 1463 O CYS A 31 -12.620 5.417 -3.600 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.603 4.111 -0.632 1.00 0.00 C ATOM 1465 SG CYS A 31 -12.991 2.512 0.103 1.00 0.00 S ATOM 0 H CYS A 31 -10.151 3.464 -0.621 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.193 3.131 -2.525 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.041 4.715 0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.526 4.649 -0.848 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.016 2.144 0.881 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.123 6.246 -2.255 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.204 7.566 -2.931 1.00 0.00 C ATOM 1472 C GLY A 32 -10.928 7.410 -4.424 1.00 0.00 C ATOM 1473 O GLY A 32 -11.662 7.905 -5.256 1.00 0.00 O ATOM 0 H GLY A 32 -10.464 6.191 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.192 8.000 -2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.482 8.254 -2.490 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.871 6.738 -4.771 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.546 6.566 -6.214 1.00 0.00 C ATOM 1479 C LEU A 33 -10.605 5.691 -6.894 1.00 0.00 C ATOM 1480 O LEU A 33 -11.111 6.022 -7.945 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.178 5.897 -6.324 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.142 6.734 -5.562 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.786 6.008 -5.564 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -7.002 8.118 -6.225 1.00 0.00 C ATOM 0 H LEU A 33 -9.218 6.300 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.532 7.538 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.220 4.888 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.889 5.804 -7.371 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.472 6.866 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.053 6.605 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.892 5.037 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.451 5.866 -6.591 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.265 8.709 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.677 7.995 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.964 8.630 -6.205 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.943 4.579 -6.314 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.967 3.701 -6.944 1.00 0.00 C ATOM 1498 C TYR A 34 -13.274 4.481 -7.072 1.00 0.00 C ATOM 1499 O TYR A 34 -13.989 4.374 -8.048 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.189 2.479 -6.047 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.210 1.541 -6.654 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.576 1.726 -6.411 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.781 0.463 -7.438 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.510 0.834 -6.954 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.716 -0.425 -7.984 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.080 -0.239 -7.741 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.004 -1.117 -8.272 1.00 0.00 O ATOM 0 H TYR A 34 -10.557 4.238 -5.433 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.633 3.378 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.246 1.952 -5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.527 2.802 -5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.910 2.556 -5.805 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.727 0.316 -7.622 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.564 0.975 -6.764 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.384 -1.253 -8.592 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.540 -1.804 -8.794 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.595 5.247 -6.069 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.862 6.021 -6.086 1.00 0.00 C ATOM 1519 C TYR A 35 -14.829 7.132 -7.147 1.00 0.00 C ATOM 1520 O TYR A 35 -15.732 7.268 -7.924 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.084 6.643 -4.702 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.533 7.012 -4.546 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -17.447 6.058 -4.088 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -16.964 8.299 -4.869 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.796 6.391 -3.952 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.315 8.636 -4.734 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.233 7.681 -4.276 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.565 8.011 -4.145 1.00 0.00 O ATOM 0 H TYR A 35 -13.027 5.370 -5.231 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.678 5.342 -6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.791 5.939 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.458 7.527 -4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -17.109 5.063 -3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.256 9.034 -5.223 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -19.502 5.654 -3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -18.651 9.632 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.698 8.945 -4.410 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.818 7.942 -7.187 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.815 9.030 -8.210 1.00 0.00 C ATOM 1540 C LYS A 36 -13.864 8.425 -9.628 1.00 0.00 C ATOM 1541 O LYS A 36 -14.538 8.933 -10.503 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.582 9.926 -8.007 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.337 9.295 -8.596 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.159 10.207 -8.296 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.897 9.652 -8.959 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.702 10.374 -8.439 1.00 0.00 N ATOM 0 H LYS A 36 -13.005 7.907 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.702 9.652 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.755 10.896 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.432 10.105 -6.942 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.172 8.306 -8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.451 9.161 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.362 11.213 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.012 10.285 -7.219 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.807 8.585 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.962 9.767 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.840 9.861 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.676 11.334 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.755 10.431 -7.402 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.156 7.344 -9.861 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.162 6.706 -11.220 1.00 0.00 C ATOM 1562 C LEU A 37 -14.556 6.169 -11.593 1.00 0.00 C ATOM 1563 O LEU A 37 -14.972 6.286 -12.729 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.149 5.531 -11.242 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.777 5.972 -11.784 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.213 7.148 -10.979 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.816 4.781 -11.713 1.00 0.00 C ATOM 0 H LEU A 37 -12.573 6.875 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.884 7.469 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.031 5.133 -10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.542 4.723 -11.860 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.893 6.303 -12.816 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.244 7.436 -11.386 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.898 7.993 -11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.095 6.852 -9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.839 5.079 -12.094 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.718 4.454 -10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.207 3.962 -12.317 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.259 5.541 -10.677 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.602 4.954 -11.023 1.00 0.00 C ATOM 1581 C HIS A 38 -17.709 5.511 -10.121 1.00 0.00 C ATOM 1582 O HIS A 38 -18.871 5.219 -10.322 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.525 3.436 -10.860 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.394 2.906 -11.693 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.554 2.572 -13.028 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.079 2.651 -11.397 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.365 2.137 -13.482 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.431 2.165 -12.528 1.00 0.00 N ATOM 0 H HIS A 38 -14.965 5.409 -9.709 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.846 5.221 -12.051 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.372 3.178 -9.812 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.465 2.977 -11.167 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.617 2.804 -10.433 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.187 1.806 -14.494 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.452 1.889 -12.611 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.389 6.328 -9.159 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.432 6.928 -8.275 1.00 0.00 C ATOM 1598 C GLN A 39 -19.494 5.893 -7.868 1.00 0.00 C ATOM 1599 O GLN A 39 -20.678 6.076 -8.057 1.00 0.00 O ATOM 1600 CB GLN A 39 -19.033 8.142 -8.990 1.00 0.00 C ATOM 1601 CG GLN A 39 -20.001 8.891 -8.070 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.390 10.217 -8.718 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.761 10.656 -9.661 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.414 10.874 -8.254 1.00 0.00 N ATOM 0 H GLN A 39 -16.434 6.612 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.980 7.260 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.236 8.813 -9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.556 7.818 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.890 8.287 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.535 9.070 -7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.941 10.505 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.689 11.758 -8.682 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.065 4.811 -7.273 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.013 3.767 -6.798 1.00 0.00 C ATOM 1615 C VAL A 40 -19.396 3.095 -5.562 1.00 0.00 C ATOM 1616 O VAL A 40 -18.192 3.064 -5.402 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.230 2.725 -7.888 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.179 3.272 -8.959 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.888 2.376 -8.519 1.00 0.00 C ATOM 0 H VAL A 40 -18.082 4.606 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.974 4.217 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.675 1.831 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.327 2.519 -9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.138 3.518 -8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.748 4.169 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.036 1.630 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.446 3.273 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.221 1.975 -7.756 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.206 2.567 -4.687 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.658 1.907 -3.455 1.00 0.00 C ATOM 1631 C ASN A 41 -19.317 0.437 -3.738 1.00 0.00 C ATOM 1632 O ASN A 41 -20.126 -0.304 -4.261 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.702 1.974 -2.336 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.914 1.118 -2.714 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.195 0.927 -3.879 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.645 0.588 -1.771 1.00 0.00 N ATOM 0 H ASN A 41 -21.223 2.561 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.750 2.429 -3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.270 1.619 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -21.010 3.007 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.452 0.013 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.409 0.748 -0.792 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.122 0.008 -3.391 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.713 -1.418 -3.631 1.00 0.00 C ATOM 1645 C ARG A 42 -17.745 -2.198 -2.287 1.00 0.00 C ATOM 1646 O ARG A 42 -17.237 -1.712 -1.297 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.284 -1.430 -4.183 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.899 -2.855 -4.599 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.445 -2.886 -5.104 1.00 0.00 C ATOM 1650 NE ARG A 42 -14.342 -3.834 -6.259 1.00 0.00 N ATOM 1651 CZ ARG A 42 -14.787 -5.060 -6.168 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -15.223 -5.519 -5.028 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -14.759 -5.841 -7.214 1.00 0.00 N ATOM 0 H ARG A 42 -17.409 0.588 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.396 -1.887 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.209 -0.759 -5.039 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.590 -1.062 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -16.012 -3.532 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.571 -3.208 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.133 -1.887 -5.409 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.776 -3.198 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.918 -3.518 -7.131 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.218 -4.921 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.569 -6.476 -4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.390 -5.494 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.106 -6.798 -7.145 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.329 -3.393 -2.227 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.376 -4.165 -0.942 1.00 0.00 C ATOM 1669 C PRO A 43 -17.017 -4.257 -0.214 1.00 0.00 C ATOM 1670 O PRO A 43 -15.963 -4.211 -0.818 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.865 -5.554 -1.397 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.387 -5.435 -2.841 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.976 -4.059 -3.400 1.00 0.00 C ATOM 0 HA PRO A 43 -19.019 -3.682 -0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.052 -6.278 -1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.654 -5.914 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.975 -6.233 -3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.471 -5.543 -2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.287 -4.155 -4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.838 -3.496 -3.758 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.060 -4.394 1.089 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.811 -4.500 1.908 1.00 0.00 C ATOM 1683 C LEU A 44 -14.998 -5.732 1.488 1.00 0.00 C ATOM 1684 O LEU A 44 -13.994 -6.055 2.094 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.210 -4.636 3.389 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.458 -3.254 3.995 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.713 -2.630 3.381 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.658 -3.394 5.507 1.00 0.00 C ATOM 0 H LEU A 44 -17.924 -4.438 1.629 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.200 -3.610 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.108 -5.247 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.421 -5.148 3.941 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.600 -2.615 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.882 -1.646 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.580 -2.530 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.573 -3.269 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.835 -2.411 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.516 -4.038 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.766 -3.833 5.953 1.00 0.00 H new ATOM 1700 N THR A 45 -15.410 -6.420 0.468 1.00 0.00 N ATOM 1701 CA THR A 45 -14.647 -7.619 0.027 1.00 0.00 C ATOM 1702 C THR A 45 -13.230 -7.192 -0.373 1.00 0.00 C ATOM 1703 O THR A 45 -12.343 -8.009 -0.530 1.00 0.00 O ATOM 1704 CB THR A 45 -15.366 -8.253 -1.169 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.498 -7.289 -2.204 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.757 -8.735 -0.739 1.00 0.00 C ATOM 0 H THR A 45 -16.242 -6.207 -0.082 1.00 0.00 H new ATOM 0 HA THR A 45 -14.585 -8.347 0.836 1.00 0.00 H new ATOM 0 HB THR A 45 -14.787 -9.102 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.956 -7.693 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.266 -9.185 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.656 -9.474 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.339 -7.888 -0.375 1.00 0.00 H new ATOM 1714 N MET A 46 -13.022 -5.911 -0.551 1.00 0.00 N ATOM 1715 CA MET A 46 -11.670 -5.402 -0.958 1.00 0.00 C ATOM 1716 C MET A 46 -10.936 -4.862 0.279 1.00 0.00 C ATOM 1717 O MET A 46 -9.773 -4.513 0.224 1.00 0.00 O ATOM 1718 CB MET A 46 -11.867 -4.276 -1.987 1.00 0.00 C ATOM 1719 CG MET A 46 -10.607 -4.084 -2.844 1.00 0.00 C ATOM 1720 SD MET A 46 -10.999 -2.947 -4.205 1.00 0.00 S ATOM 1721 CE MET A 46 -9.621 -3.348 -5.316 1.00 0.00 C ATOM 0 H MET A 46 -13.733 -5.190 -0.432 1.00 0.00 H new ATOM 0 HA MET A 46 -11.076 -6.204 -1.397 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.715 -4.511 -2.630 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.105 -3.346 -1.472 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.795 -3.683 -2.238 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.268 -5.042 -3.237 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.693 -2.741 -6.219 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.676 -3.140 -4.814 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.665 -4.404 -5.584 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.618 -4.782 1.388 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.984 -4.252 2.631 1.00 0.00 C ATOM 1733 C ARG A 47 -10.097 -5.319 3.285 1.00 0.00 C ATOM 1734 O ARG A 47 -10.506 -6.448 3.477 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.090 -3.833 3.606 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.487 -3.410 4.947 1.00 0.00 C ATOM 1737 CD ARG A 47 -12.603 -2.931 5.865 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.077 -2.842 7.257 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.760 -2.238 8.187 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -13.922 -1.714 7.912 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.280 -2.165 9.397 1.00 0.00 N ATOM 0 H ARG A 47 -12.594 -5.062 1.488 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.358 -3.396 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.664 -3.009 3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.783 -4.660 3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.958 -4.247 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.756 -2.615 4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.969 -1.958 5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.447 -3.620 5.824 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.174 -3.258 7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.299 -1.776 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.454 -1.242 8.643 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.373 -2.580 9.612 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.811 -1.693 10.129 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.891 -4.953 3.653 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.959 -5.914 4.329 1.00 0.00 C ATOM 1757 C LYS A 48 -7.516 -5.304 5.663 1.00 0.00 C ATOM 1758 O LYS A 48 -7.274 -4.116 5.755 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.723 -6.151 3.460 1.00 0.00 C ATOM 1760 CG LYS A 48 -5.922 -7.313 4.053 1.00 0.00 C ATOM 1761 CD LYS A 48 -4.661 -7.559 3.224 1.00 0.00 C ATOM 1762 CE LYS A 48 -3.897 -8.750 3.806 1.00 0.00 C ATOM 1763 NZ LYS A 48 -2.564 -8.858 3.147 1.00 0.00 N ATOM 0 H LYS A 48 -8.508 -4.018 3.512 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.470 -6.863 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.019 -6.380 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.110 -5.250 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.650 -7.089 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.535 -8.214 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.927 -7.756 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.030 -6.670 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.773 -8.625 4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.464 -9.668 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.045 -9.668 3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.693 -8.996 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.023 -7.986 3.313 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.423 -6.097 6.703 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.012 -5.551 8.035 1.00 0.00 C ATOM 1779 C ASP A 49 -5.834 -4.582 7.873 1.00 0.00 C ATOM 1780 O ASP A 49 -6.013 -3.384 7.764 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.590 -6.705 8.949 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.739 -7.704 9.091 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.867 -7.326 8.817 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -7.472 -8.832 9.472 1.00 0.00 O ATOM 0 H ASP A 49 -7.614 -7.099 6.687 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.856 -5.017 8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.712 -7.203 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.308 -6.320 9.929 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.630 -5.093 7.867 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.439 -4.206 7.721 1.00 0.00 C ATOM 1791 C GLY A 50 -3.368 -3.686 6.287 1.00 0.00 C ATOM 1792 O GLY A 50 -4.256 -3.919 5.492 1.00 0.00 O ATOM 0 H GLY A 50 -4.421 -6.087 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.505 -3.372 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.530 -4.756 7.966 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.319 -2.983 5.941 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.202 -2.454 4.556 1.00 0.00 C ATOM 1798 C ILE A 51 -1.466 -3.453 3.668 1.00 0.00 C ATOM 1799 O ILE A 51 -0.524 -4.105 4.076 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.466 -1.114 4.576 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.101 -0.237 5.672 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.597 -0.439 3.200 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.821 1.250 5.417 1.00 0.00 C ATOM 0 H ILE A 51 -1.541 -2.755 6.560 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.201 -2.303 4.147 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.406 -1.257 4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.177 -0.408 5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.706 -0.523 6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.073 0.517 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.161 -1.082 2.436 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.650 -0.272 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.280 1.847 6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.745 1.422 5.412 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.239 1.539 4.453 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.901 -3.561 2.450 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.260 -4.496 1.491 1.00 0.00 C ATOM 1817 C GLN A 52 0.021 -3.855 0.960 1.00 0.00 C ATOM 1818 O GLN A 52 0.155 -2.651 0.953 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.219 -4.736 0.326 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.410 -5.564 0.803 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.386 -5.763 -0.357 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.202 -6.662 -0.333 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.346 -4.942 -1.375 1.00 0.00 N ATOM 0 H GLN A 52 -2.687 -3.033 2.071 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.026 -5.440 1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.564 -3.783 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.703 -5.255 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.070 -6.530 1.176 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.909 -5.060 1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.660 -4.187 -1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.000 -5.057 -2.149 1.00 0.00 H new ATOM 1832 N THR A 53 0.980 -4.642 0.543 1.00 0.00 N ATOM 1833 CA THR A 53 2.254 -4.045 0.029 1.00 0.00 C ATOM 1834 C THR A 53 2.806 -4.851 -1.150 1.00 0.00 C ATOM 1835 O THR A 53 2.413 -5.972 -1.410 1.00 0.00 O ATOM 1836 CB THR A 53 3.300 -4.000 1.149 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.601 -4.039 0.579 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.113 -5.191 2.079 1.00 0.00 C ATOM 0 H THR A 53 0.940 -5.661 0.535 1.00 0.00 H new ATOM 0 HA THR A 53 2.037 -3.033 -0.314 1.00 0.00 H new ATOM 0 HB THR A 53 3.179 -3.080 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.272 -4.009 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.859 -5.154 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.115 -5.158 2.517 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.230 -6.116 1.514 1.00 0.00 H new ATOM 1846 N ARG A 54 3.730 -4.255 -1.850 1.00 0.00 N ATOM 1847 CA ARG A 54 4.371 -4.915 -3.024 1.00 0.00 C ATOM 1848 C ARG A 54 5.806 -4.407 -3.158 1.00 0.00 C ATOM 1849 O ARG A 54 6.169 -3.391 -2.599 1.00 0.00 O ATOM 1850 CB ARG A 54 3.603 -4.583 -4.310 1.00 0.00 C ATOM 1851 CG ARG A 54 2.283 -5.360 -4.370 1.00 0.00 C ATOM 1852 CD ARG A 54 1.577 -5.016 -5.687 1.00 0.00 C ATOM 1853 NE ARG A 54 0.279 -5.765 -5.799 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.231 -7.072 -5.794 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.327 -7.778 -5.825 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -0.927 -7.674 -5.802 1.00 0.00 N ATOM 0 H ARG A 54 4.076 -3.316 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 54 4.362 -5.994 -2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.403 -3.512 -4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.215 -4.828 -5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.471 -6.432 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.651 -5.099 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.390 -3.943 -5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.222 -5.267 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.591 -5.238 -5.881 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.234 -7.311 -5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.278 -8.797 -5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.787 -7.125 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.972 -8.693 -5.798 1.00 0.00 H new ATOM 1870 N ASN A 55 6.624 -5.100 -3.901 1.00 0.00 N ATOM 1871 CA ASN A 55 8.032 -4.649 -4.070 1.00 0.00 C ATOM 1872 C ASN A 55 8.031 -3.251 -4.697 1.00 0.00 C ATOM 1873 O ASN A 55 7.254 -2.957 -5.583 1.00 0.00 O ATOM 1874 CB ASN A 55 8.768 -5.629 -4.987 1.00 0.00 C ATOM 1875 CG ASN A 55 8.762 -7.024 -4.354 1.00 0.00 C ATOM 1876 OD1 ASN A 55 9.084 -7.177 -3.192 1.00 0.00 O ATOM 1877 ND2 ASN A 55 8.415 -8.056 -5.075 1.00 0.00 N ATOM 0 H ASN A 55 6.378 -5.957 -4.397 1.00 0.00 H new ATOM 0 HA ASN A 55 8.535 -4.616 -3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.287 -5.660 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.793 -5.295 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.414 -8.989 -4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.145 -7.929 -6.050 1.00 0.00 H new ATOM 1884 N ARG A 56 8.887 -2.383 -4.228 1.00 0.00 N ATOM 1885 CA ARG A 56 8.928 -0.993 -4.777 1.00 0.00 C ATOM 1886 C ARG A 56 9.333 -1.015 -6.250 1.00 0.00 C ATOM 1887 O ARG A 56 10.311 -1.630 -6.625 1.00 0.00 O ATOM 1888 CB ARG A 56 9.957 -0.166 -4.002 1.00 0.00 C ATOM 1889 CG ARG A 56 9.529 -0.075 -2.540 1.00 0.00 C ATOM 1890 CD ARG A 56 10.439 0.900 -1.795 1.00 0.00 C ATOM 1891 NE ARG A 56 10.166 0.807 -0.335 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.030 1.270 0.522 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.154 1.784 0.105 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.775 1.208 1.800 1.00 0.00 N ATOM 0 H ARG A 56 9.561 -2.575 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 56 7.936 -0.553 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.942 -0.626 -4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.038 0.832 -4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.493 0.258 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.577 -1.060 -2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.484 0.667 -1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.266 1.918 -2.145 1.00 0.00 H new ATOM 0 HE ARG A 56 9.301 0.380 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.357 1.824 -0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.830 2.146 0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.900 0.797 2.126 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.451 1.570 2.473 1.00 0.00 H new ATOM 1908 N LYS A 57 8.591 -0.343 -7.086 1.00 0.00 N ATOM 1909 CA LYS A 57 8.933 -0.321 -8.533 1.00 0.00 C ATOM 1910 C LYS A 57 10.339 0.244 -8.718 1.00 0.00 C ATOM 1911 O LYS A 57 11.047 0.499 -7.765 1.00 0.00 O ATOM 1912 CB LYS A 57 7.931 0.547 -9.277 1.00 0.00 C ATOM 1913 CG LYS A 57 7.896 1.926 -8.645 1.00 0.00 C ATOM 1914 CD LYS A 57 6.883 2.782 -9.394 1.00 0.00 C ATOM 1915 CE LYS A 57 6.825 4.176 -8.768 1.00 0.00 C ATOM 1916 NZ LYS A 57 5.973 5.068 -9.603 1.00 0.00 N ATOM 0 H LYS A 57 7.762 0.192 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 57 8.898 -1.336 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.208 0.623 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.941 0.092 -9.241 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.623 1.852 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.883 2.386 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.161 2.856 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.899 2.315 -9.357 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.422 4.114 -7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.830 4.590 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.936 6.015 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.376 5.137 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.011 4.676 -9.660 1.00 0.00 H new ATOM 1930 N VAL A 58 10.745 0.448 -9.938 1.00 0.00 N ATOM 1931 CA VAL A 58 12.101 1.003 -10.185 1.00 0.00 C ATOM 1932 C VAL A 58 12.223 2.340 -9.449 1.00 0.00 C ATOM 1933 O VAL A 58 11.278 3.099 -9.368 1.00 0.00 O ATOM 1934 CB VAL A 58 12.291 1.199 -11.691 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.572 1.992 -11.957 1.00 0.00 C ATOM 1936 CG2 VAL A 58 12.393 -0.174 -12.360 1.00 0.00 C ATOM 0 H VAL A 58 10.195 0.254 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 58 12.870 0.322 -9.819 1.00 0.00 H new ATOM 0 HB VAL A 58 11.443 1.750 -12.097 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.700 2.127 -13.031 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.503 2.967 -11.474 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.427 1.448 -11.555 1.00 0.00 H new ATOM 0 HG21 VAL A 58 12.529 -0.046 -13.434 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.244 -0.717 -11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.479 -0.738 -12.174 1.00 0.00 H new