USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=19 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 159:sc= 0.346 USER MOD Set 1.2: A 10 CYS SG : rot -49:sc= -2.05 USER MOD Set 1.3: A 28 CYS SG : rot -121:sc= 0.495 USER MOD Set 1.4: A 31 CYS SG : rot 86:sc= -0.059 USER MOD Set 2.1: A 16 THR OG1 : rot -159:sc= 0.153 USER MOD Set 2.2: A 29 ASN : amide:sc= -6.54! C(o=-6.4!,f=-9.7!) USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 14 THR OG1 : rot -152:sc= 1.28 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00377 USER MOD Single : A 8 SER OG : rot 78:sc= -0.0534 USER MOD Single : A 9 ASN : amide:sc= -3.15! C(o=-3.2!,f=-5.2!) USER MOD Single : A 11 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 13 SER OG : rot 9:sc= 0.234 USER MOD Single : A 15 THR OG1 : rot -134:sc= 0.433 USER MOD Single : A 21 SER OG : rot 180:sc= -0.629 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) 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 :FLIP no HE2:sc= -3.99 F(o=-7.1!,f=-4) USER MOD Single : A 39 GLN : amide:sc= -0.0936 K(o=-0.094,f=-2.6!) USER MOD Single : A 41 ASN : amide:sc= -1.25 K(o=-1.3,f=-6.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 144:sc= 0 (180deg=-0.0542) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0232 (180deg=-0.327) USER MOD Single : A 52 GLN : amide:sc= -2.29! C(o=-2.3!,f=-5.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 55 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.02) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.784 8.209 14.937 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.792 7.805 15.956 1.00 0.00 C ATOM 1070 C ALA A 3 -9.214 8.179 15.519 1.00 0.00 C ATOM 1071 O ALA A 3 -9.521 9.333 15.289 1.00 0.00 O ATOM 1072 CB ALA A 3 -7.474 8.529 17.266 1.00 0.00 C ATOM 0 HA ALA A 3 -7.746 6.723 16.080 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -8.203 8.245 18.025 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.474 8.252 17.601 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.518 9.606 17.106 1.00 0.00 H new ATOM 1078 N GLY A 4 -10.094 7.213 15.448 1.00 0.00 N ATOM 1079 CA GLY A 4 -11.514 7.503 15.081 1.00 0.00 C ATOM 1080 C GLY A 4 -11.708 7.614 13.564 1.00 0.00 C ATOM 1081 O GLY A 4 -12.808 7.464 13.071 1.00 0.00 O ATOM 0 H GLY A 4 -9.889 6.230 15.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.157 6.714 15.471 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.827 8.433 15.555 1.00 0.00 H new ATOM 1085 N THR A 5 -10.680 7.901 12.816 1.00 0.00 N ATOM 1086 CA THR A 5 -10.879 8.043 11.343 1.00 0.00 C ATOM 1087 C THR A 5 -11.213 6.691 10.708 1.00 0.00 C ATOM 1088 O THR A 5 -10.385 5.803 10.638 1.00 0.00 O ATOM 1089 CB THR A 5 -9.612 8.602 10.689 1.00 0.00 C ATOM 1090 OG1 THR A 5 -9.056 9.612 11.518 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.953 9.198 9.315 1.00 0.00 C ATOM 0 H THR A 5 -9.727 8.042 13.150 1.00 0.00 H new ATOM 0 HA THR A 5 -11.710 8.730 11.181 1.00 0.00 H new ATOM 0 HB THR A 5 -8.890 7.796 10.561 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.244 9.968 11.100 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.047 9.594 8.855 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.375 8.422 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.679 10.002 9.437 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.415 6.557 10.200 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.830 5.297 9.506 1.00 0.00 C ATOM 1101 C VAL A 6 -13.179 5.681 8.077 1.00 0.00 C ATOM 1102 O VAL A 6 -13.750 6.726 7.833 1.00 0.00 O ATOM 1103 CB VAL A 6 -14.053 4.671 10.186 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.645 4.101 11.544 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -15.148 5.725 10.381 1.00 0.00 C ATOM 0 H VAL A 6 -13.136 7.278 10.238 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.026 4.562 9.541 1.00 0.00 H new ATOM 0 HB VAL A 6 -14.440 3.872 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -14.514 3.656 12.028 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.878 3.339 11.403 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -13.251 4.901 12.171 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.011 5.268 10.865 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.768 6.533 11.006 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.445 6.125 9.411 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.837 4.872 7.121 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.147 5.231 5.717 1.00 0.00 C ATOM 1117 C CYS A 7 -14.648 5.308 5.507 1.00 0.00 C ATOM 1118 O CYS A 7 -15.365 4.343 5.675 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.548 4.170 4.808 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.924 4.541 3.078 1.00 0.00 S ATOM 0 H CYS A 7 -12.358 3.981 7.250 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.723 6.208 5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.468 4.126 4.951 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.945 3.190 5.071 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.074 3.928 2.308 1.00 0.00 H new ATOM 1125 N SER A 8 -15.125 6.455 5.131 1.00 0.00 N ATOM 1126 CA SER A 8 -16.578 6.616 4.895 1.00 0.00 C ATOM 1127 C SER A 8 -17.049 5.661 3.795 1.00 0.00 C ATOM 1128 O SER A 8 -18.128 5.108 3.872 1.00 0.00 O ATOM 1129 CB SER A 8 -16.862 8.052 4.462 1.00 0.00 C ATOM 1130 OG SER A 8 -16.626 8.928 5.556 1.00 0.00 O ATOM 0 H SER A 8 -14.566 7.294 4.976 1.00 0.00 H new ATOM 0 HA SER A 8 -17.112 6.388 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.225 8.323 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.894 8.145 4.123 1.00 0.00 H new ATOM 0 HG SER A 8 -15.662 9.070 5.659 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.274 5.484 2.748 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.741 4.592 1.648 1.00 0.00 C ATOM 1138 C ASN A 9 -16.650 3.113 2.027 1.00 0.00 C ATOM 1139 O ASN A 9 -17.524 2.350 1.665 1.00 0.00 O ATOM 1140 CB ASN A 9 -15.892 4.833 0.396 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.227 6.199 -0.206 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -15.351 6.897 -0.673 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -17.467 6.612 -0.222 1.00 0.00 N ATOM 0 H ASN A 9 -15.358 5.911 2.613 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.787 4.831 1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -14.833 4.788 0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.078 4.048 -0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.697 7.520 -0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -18.205 6.027 0.170 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.606 2.668 2.715 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.517 1.200 3.045 1.00 0.00 C ATOM 1152 C CYS A 10 -15.225 0.952 4.534 1.00 0.00 C ATOM 1153 O CYS A 10 -15.006 -0.174 4.933 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.459 0.522 2.148 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.778 0.846 2.746 1.00 0.00 S ATOM 0 H CYS A 10 -14.834 3.243 3.052 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.491 0.754 2.844 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.637 -0.553 2.122 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.559 0.886 1.126 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.634 2.119 2.969 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.272 1.959 5.372 1.00 0.00 N ATOM 1161 CA GLN A 11 -15.055 1.742 6.840 1.00 0.00 C ATOM 1162 C GLN A 11 -13.656 1.182 7.152 1.00 0.00 C ATOM 1163 O GLN A 11 -13.323 0.967 8.299 1.00 0.00 O ATOM 1164 CB GLN A 11 -16.136 0.783 7.367 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.225 0.870 8.897 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.411 0.039 9.390 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -18.497 0.553 9.573 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.248 -1.238 9.612 1.00 0.00 N ATOM 0 H GLN A 11 -15.452 2.926 5.103 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.126 2.709 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -17.100 1.033 6.925 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.903 -0.239 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.301 0.506 9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.342 1.909 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -16.337 -1.670 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.032 -1.803 9.939 1.00 0.00 H new ATOM 1177 N THR A 12 -12.817 0.953 6.181 1.00 0.00 N ATOM 1178 CA THR A 12 -11.464 0.422 6.526 1.00 0.00 C ATOM 1179 C THR A 12 -10.746 1.444 7.419 1.00 0.00 C ATOM 1180 O THR A 12 -10.863 2.637 7.216 1.00 0.00 O ATOM 1181 CB THR A 12 -10.650 0.144 5.250 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.493 -0.608 5.589 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.223 1.447 4.575 1.00 0.00 C ATOM 0 H THR A 12 -12.999 1.104 5.189 1.00 0.00 H new ATOM 0 HA THR A 12 -11.566 -0.521 7.063 1.00 0.00 H new ATOM 0 HB THR A 12 -11.277 -0.415 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.972 -0.789 4.779 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.650 1.220 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.108 2.024 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.607 2.028 5.262 1.00 0.00 H new ATOM 1191 N SER A 13 -9.994 0.982 8.397 1.00 0.00 N ATOM 1192 CA SER A 13 -9.252 1.933 9.302 1.00 0.00 C ATOM 1193 C SER A 13 -7.769 1.914 8.927 1.00 0.00 C ATOM 1194 O SER A 13 -6.986 2.722 9.385 1.00 0.00 O ATOM 1195 CB SER A 13 -9.446 1.529 10.767 1.00 0.00 C ATOM 1196 OG SER A 13 -8.440 2.139 11.565 1.00 0.00 O ATOM 0 H SER A 13 -9.861 -0.007 8.608 1.00 0.00 H new ATOM 0 HA SER A 13 -9.643 2.943 9.178 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.434 1.835 11.112 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.396 0.445 10.866 1.00 0.00 H new ATOM 0 HG SER A 13 -7.940 2.785 11.023 1.00 0.00 H new ATOM 1202 N THR A 14 -7.386 1.004 8.068 1.00 0.00 N ATOM 1203 CA THR A 14 -5.964 0.924 7.616 1.00 0.00 C ATOM 1204 C THR A 14 -5.869 1.580 6.238 1.00 0.00 C ATOM 1205 O THR A 14 -6.536 1.170 5.309 1.00 0.00 O ATOM 1206 CB THR A 14 -5.546 -0.547 7.519 1.00 0.00 C ATOM 1207 OG1 THR A 14 -6.495 -1.265 6.737 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.480 -1.145 8.924 1.00 0.00 C ATOM 0 H THR A 14 -8.005 0.306 7.656 1.00 0.00 H new ATOM 0 HA THR A 14 -5.307 1.433 8.321 1.00 0.00 H new ATOM 0 HB THR A 14 -4.567 -0.617 7.045 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.511 -2.203 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.183 -2.192 8.860 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.750 -0.596 9.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.460 -1.074 9.396 1.00 0.00 H new ATOM 1216 N THR A 15 -5.059 2.601 6.091 1.00 0.00 N ATOM 1217 CA THR A 15 -4.954 3.283 4.762 1.00 0.00 C ATOM 1218 C THR A 15 -3.531 3.804 4.553 1.00 0.00 C ATOM 1219 O THR A 15 -2.855 4.168 5.494 1.00 0.00 O ATOM 1220 CB THR A 15 -5.891 4.496 4.742 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.240 5.595 5.367 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.164 4.185 5.519 1.00 0.00 C ATOM 0 H THR A 15 -4.470 2.989 6.828 1.00 0.00 H new ATOM 0 HA THR A 15 -5.217 2.568 3.982 1.00 0.00 H new ATOM 0 HB THR A 15 -6.142 4.735 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.857 6.028 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.823 5.053 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.670 3.334 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.911 3.945 6.552 1.00 0.00 H new ATOM 1230 N THR A 16 -3.081 3.889 3.328 1.00 0.00 N ATOM 1231 CA THR A 16 -1.720 4.444 3.087 1.00 0.00 C ATOM 1232 C THR A 16 -1.812 5.967 3.212 1.00 0.00 C ATOM 1233 O THR A 16 -0.945 6.611 3.769 1.00 0.00 O ATOM 1234 CB THR A 16 -1.229 4.077 1.683 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.072 4.684 0.715 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.244 2.557 1.483 1.00 0.00 C ATOM 0 H THR A 16 -3.592 3.601 2.494 1.00 0.00 H new ATOM 0 HA THR A 16 -1.017 4.032 3.811 1.00 0.00 H new ATOM 0 HB THR A 16 -0.206 4.436 1.568 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.986 4.208 -0.138 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.892 2.319 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.591 2.087 2.218 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.260 2.183 1.609 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.884 6.544 2.718 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.069 8.028 2.829 1.00 0.00 C ATOM 1246 C LEU A 17 -4.562 8.334 2.980 1.00 0.00 C ATOM 1247 O LEU A 17 -5.385 7.847 2.228 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.509 8.752 1.585 1.00 0.00 C ATOM 1249 CG LEU A 17 -2.024 10.168 1.960 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.632 10.107 2.612 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.944 11.018 0.688 1.00 0.00 C ATOM 0 H LEU A 17 -3.639 6.050 2.242 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.523 8.387 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.684 8.178 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.279 8.816 0.816 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.726 10.607 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.306 11.115 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.680 9.499 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.078 9.664 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.602 12.021 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.243 10.562 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.930 11.077 0.227 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.917 9.150 3.933 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.346 9.508 4.120 1.00 0.00 C ATOM 1265 C TRP A 18 -6.708 10.594 3.098 1.00 0.00 C ATOM 1266 O TRP A 18 -6.011 11.580 2.971 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.521 10.065 5.539 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.528 8.938 6.529 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.553 8.681 7.430 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.542 7.911 6.727 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.910 7.567 8.168 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.124 7.058 7.773 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.771 7.643 6.108 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.898 5.976 8.192 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.552 6.554 6.525 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.118 5.723 7.564 1.00 0.00 C ATOM 0 H TRP A 18 -4.273 9.586 4.593 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.988 8.638 3.981 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.713 10.759 5.770 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.453 10.627 5.607 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.645 9.252 7.553 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.341 7.171 8.916 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.119 8.278 5.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.556 5.340 8.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.496 6.356 6.040 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.726 4.888 7.879 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.776 10.420 2.356 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.162 11.445 1.330 1.00 0.00 C ATOM 1289 C ARG A 19 -9.500 12.071 1.719 1.00 0.00 C ATOM 1290 O ARG A 19 -10.496 11.390 1.792 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.344 10.766 -0.045 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.228 9.759 -0.311 1.00 0.00 C ATOM 1293 CD ARG A 19 -5.928 10.488 -0.620 1.00 0.00 C ATOM 1294 NE ARG A 19 -4.869 9.479 -0.891 1.00 0.00 N ATOM 1295 CZ ARG A 19 -3.772 9.803 -1.521 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.570 11.025 -1.942 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -2.873 8.890 -1.725 1.00 0.00 N ATOM 0 H ARG A 19 -8.398 9.614 2.415 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.380 12.202 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.310 10.262 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.351 11.522 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.095 9.114 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.500 9.115 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.057 11.142 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.641 11.121 0.220 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.002 8.517 -0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.276 11.743 -1.780 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.707 11.259 -2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.029 7.938 -1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.010 9.125 -2.215 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.566 13.346 1.950 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.892 13.918 2.298 1.00 0.00 C ATOM 1313 C ARG A 20 -11.757 13.820 1.037 1.00 0.00 C ATOM 1314 O ARG A 20 -11.279 14.022 -0.062 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.747 15.384 2.723 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.061 15.891 3.345 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.168 15.433 4.808 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.314 16.129 5.458 1.00 0.00 N ATOM 1319 CZ ARG A 20 -13.721 15.743 6.636 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -13.133 14.740 7.229 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -14.713 16.358 7.220 1.00 0.00 N ATOM 0 H ARG A 20 -8.786 14.002 1.915 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.343 13.377 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.934 15.483 3.442 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.485 15.996 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.100 16.979 3.293 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.910 15.514 2.775 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.310 14.353 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.243 15.656 5.340 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.778 16.904 4.984 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.358 14.260 6.772 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.449 14.436 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.172 17.142 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.030 16.055 8.141 1.00 0.00 H new ATOM 1335 N SER A 21 -13.018 13.503 1.175 1.00 0.00 N ATOM 1336 CA SER A 21 -13.897 13.382 -0.036 1.00 0.00 C ATOM 1337 C SER A 21 -14.547 14.740 -0.327 1.00 0.00 C ATOM 1338 O SER A 21 -14.675 15.560 0.553 1.00 0.00 O ATOM 1339 CB SER A 21 -14.977 12.324 0.228 1.00 0.00 C ATOM 1340 OG SER A 21 -16.190 12.700 -0.411 1.00 0.00 O ATOM 0 H SER A 21 -13.479 13.323 2.067 1.00 0.00 H new ATOM 0 HA SER A 21 -13.304 13.079 -0.899 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.646 11.354 -0.143 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.139 12.217 1.301 1.00 0.00 H new ATOM 0 HG SER A 21 -16.874 12.020 -0.240 1.00 0.00 H new ATOM 1346 N PRO A 22 -14.951 14.990 -1.554 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.594 16.288 -1.894 1.00 0.00 C ATOM 1348 C PRO A 22 -16.736 16.656 -0.926 1.00 0.00 C ATOM 1349 O PRO A 22 -17.100 17.808 -0.792 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.134 16.029 -3.320 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.637 14.645 -3.794 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.783 14.023 -2.679 1.00 0.00 C ATOM 0 HA PRO A 22 -14.904 17.129 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.224 16.061 -3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -15.791 16.807 -4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.483 13.999 -4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.051 14.746 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.132 13.026 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.739 13.926 -2.976 1.00 0.00 H new ATOM 1360 N MET A 23 -17.303 15.683 -0.252 1.00 0.00 N ATOM 1361 CA MET A 23 -18.420 15.972 0.704 1.00 0.00 C ATOM 1362 C MET A 23 -17.860 16.217 2.107 1.00 0.00 C ATOM 1363 O MET A 23 -18.566 16.633 3.005 1.00 0.00 O ATOM 1364 CB MET A 23 -19.374 14.774 0.746 1.00 0.00 C ATOM 1365 CG MET A 23 -20.136 14.678 -0.578 1.00 0.00 C ATOM 1366 SD MET A 23 -21.393 15.984 -0.643 1.00 0.00 S ATOM 1367 CE MET A 23 -21.193 16.430 -2.386 1.00 0.00 C ATOM 0 H MET A 23 -17.040 14.700 -0.323 1.00 0.00 H new ATOM 0 HA MET A 23 -18.954 16.862 0.370 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.813 13.856 0.922 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.075 14.883 1.574 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.446 14.779 -1.416 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.607 13.699 -0.670 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.887 17.232 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 23 -20.171 16.766 -2.561 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.400 15.561 -3.010 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.604 15.938 2.307 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.991 16.122 3.656 1.00 0.00 C ATOM 1379 C GLY A 24 -16.121 14.811 4.436 1.00 0.00 C ATOM 1380 O GLY A 24 -16.247 14.805 5.644 1.00 0.00 O ATOM 0 H GLY A 24 -15.969 15.588 1.590 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.942 16.402 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.489 16.931 4.190 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.109 13.697 3.745 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.244 12.367 4.411 1.00 0.00 C ATOM 1386 C ASP A 25 -14.897 11.612 4.331 1.00 0.00 C ATOM 1387 O ASP A 25 -14.484 11.227 3.257 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.295 11.565 3.640 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.652 12.258 3.765 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.663 13.460 3.975 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.656 11.575 3.648 1.00 0.00 O ATOM 0 H ASP A 25 -16.010 13.655 2.731 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.530 12.494 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.010 11.485 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.355 10.550 4.033 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.199 11.387 5.427 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.894 10.663 5.357 1.00 0.00 C ATOM 1398 C PRO A 26 -12.975 9.334 4.581 1.00 0.00 C ATOM 1399 O PRO A 26 -13.849 8.521 4.809 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.583 10.424 6.845 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.435 11.405 7.658 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.632 11.818 6.790 1.00 0.00 C ATOM 0 HA PRO A 26 -12.131 11.225 4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.812 9.395 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.523 10.580 7.045 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.776 10.939 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.848 12.279 7.939 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.551 11.321 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.818 12.891 6.837 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.036 9.106 3.692 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.009 7.814 2.916 1.00 0.00 C ATOM 1412 C VAL A 27 -10.579 7.287 2.855 1.00 0.00 C ATOM 1413 O VAL A 27 -9.632 8.025 3.035 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.533 7.997 1.491 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.053 8.176 1.524 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.853 9.204 0.843 1.00 0.00 C ATOM 0 H VAL A 27 -11.284 9.757 3.467 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.658 7.104 3.430 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.302 7.113 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.426 8.306 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.514 7.294 1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.303 9.055 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.229 9.332 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.070 10.100 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.775 9.042 0.814 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.402 6.019 2.584 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.022 5.473 2.497 1.00 0.00 C ATOM 1428 C CYS A 28 -8.444 5.754 1.103 1.00 0.00 C ATOM 1429 O CYS A 28 -9.163 5.961 0.144 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.021 3.966 2.826 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.800 2.968 1.524 1.00 0.00 S ATOM 0 H CYS A 28 -11.150 5.345 2.421 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.386 5.966 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.994 3.630 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.546 3.803 3.767 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.801 2.306 2.025 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.146 5.795 1.004 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.474 6.096 -0.297 1.00 0.00 C ATOM 1438 C ASN A 29 -7.102 5.303 -1.448 1.00 0.00 C ATOM 1439 O ASN A 29 -7.289 5.821 -2.531 1.00 0.00 O ATOM 1440 CB ASN A 29 -4.999 5.704 -0.161 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.253 5.913 -1.482 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.830 5.833 -2.548 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -2.971 6.149 -1.455 1.00 0.00 N ATOM 0 H ASN A 29 -6.508 5.630 1.782 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.586 7.156 -0.523 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.531 6.299 0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.923 4.660 0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.455 6.266 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.484 6.217 -0.562 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.410 4.061 -1.244 1.00 0.00 N ATOM 1451 CA ALA A 30 -7.998 3.261 -2.354 1.00 0.00 C ATOM 1452 C ALA A 30 -9.386 3.805 -2.750 1.00 0.00 C ATOM 1453 O ALA A 30 -9.633 4.102 -3.902 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.103 1.803 -1.908 1.00 0.00 C ATOM 0 H ALA A 30 -7.283 3.562 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.354 3.333 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.533 1.206 -2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.110 1.424 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.741 1.737 -1.027 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.295 3.929 -1.816 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.658 4.440 -2.172 1.00 0.00 C ATOM 1462 C CYS A 31 -11.547 5.823 -2.799 1.00 0.00 C ATOM 1463 O CYS A 31 -12.208 6.132 -3.758 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.529 4.577 -0.922 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.013 2.959 -0.297 1.00 0.00 S ATOM 0 H CYS A 31 -10.157 3.702 -0.831 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.105 3.729 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.983 5.121 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.418 5.162 -1.156 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.082 2.500 0.485 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.737 6.665 -2.246 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.623 8.035 -2.801 1.00 0.00 C ATOM 1472 C GLY A 32 -10.329 7.971 -4.301 1.00 0.00 C ATOM 1473 O GLY A 32 -11.038 8.540 -5.106 1.00 0.00 O ATOM 0 H GLY A 32 -10.149 6.469 -1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.548 8.585 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.828 8.578 -2.289 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.280 7.297 -4.675 1.00 0.00 N ATOM 1478 CA LEU A 33 -8.918 7.206 -6.118 1.00 0.00 C ATOM 1479 C LEU A 33 -10.012 6.502 -6.923 1.00 0.00 C ATOM 1480 O LEU A 33 -10.447 6.995 -7.943 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.619 6.410 -6.241 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.499 7.114 -5.468 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.305 6.165 -5.340 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.060 8.389 -6.210 1.00 0.00 C ATOM 0 H LEU A 33 -8.653 6.802 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.800 8.214 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.762 5.402 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.341 6.311 -7.290 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.865 7.389 -4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.504 6.660 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.610 5.266 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.949 5.892 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.264 8.880 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.696 8.125 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.909 9.066 -6.303 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.459 5.356 -6.493 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.517 4.655 -7.272 1.00 0.00 C ATOM 1498 C TYR A 34 -12.767 5.525 -7.348 1.00 0.00 C ATOM 1499 O TYR A 34 -13.392 5.647 -8.381 1.00 0.00 O ATOM 1500 CB TYR A 34 -11.873 3.321 -6.613 1.00 0.00 C ATOM 1501 CG TYR A 34 -12.978 2.648 -7.408 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -12.776 2.305 -8.755 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.207 2.369 -6.797 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -13.803 1.687 -9.480 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.230 1.751 -7.524 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.029 1.412 -8.865 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.037 0.798 -9.578 1.00 0.00 O ATOM 0 H TYR A 34 -10.143 4.879 -5.648 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.137 4.467 -8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.995 2.677 -6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.197 3.485 -5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.830 2.517 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.365 2.632 -5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.648 1.422 -10.516 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.176 1.536 -7.049 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.820 0.679 -9.001 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.145 6.125 -6.259 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.358 6.977 -6.262 1.00 0.00 C ATOM 1519 C TYR A 35 -14.163 8.142 -7.236 1.00 0.00 C ATOM 1520 O TYR A 35 -14.998 8.440 -8.046 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.597 7.515 -4.844 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.025 7.982 -4.715 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.362 9.282 -5.092 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.009 7.112 -4.221 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -17.684 9.723 -4.978 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.332 7.548 -4.105 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.673 8.856 -4.484 1.00 0.00 C ATOM 1528 OH TYR A 35 -19.978 9.293 -4.368 1.00 0.00 O ATOM 0 H TYR A 35 -12.663 6.061 -5.363 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.221 6.391 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.390 6.737 -4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -13.914 8.339 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.602 9.948 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.744 6.106 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -17.945 10.730 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.090 6.880 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.535 8.570 -4.011 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.072 8.821 -7.156 1.00 0.00 N ATOM 1539 CA LYS A 36 -12.861 9.969 -8.077 1.00 0.00 C ATOM 1540 C LYS A 36 -12.894 9.488 -9.538 1.00 0.00 C ATOM 1541 O LYS A 36 -13.485 10.123 -10.390 1.00 0.00 O ATOM 1542 CB LYS A 36 -11.499 10.581 -7.753 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.218 11.785 -8.650 1.00 0.00 C ATOM 1544 CD LYS A 36 -9.849 12.375 -8.286 1.00 0.00 C ATOM 1545 CE LYS A 36 -8.719 11.446 -8.760 1.00 0.00 C ATOM 1546 NZ LYS A 36 -7.440 12.208 -8.830 1.00 0.00 N ATOM 0 H LYS A 36 -12.314 8.639 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.650 10.710 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.472 10.887 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.718 9.832 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.231 11.484 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.997 12.537 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.736 13.358 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.783 12.517 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.615 10.604 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.961 11.032 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.677 11.578 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.542 12.997 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.207 12.582 -7.888 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.261 8.386 -9.839 1.00 0.00 N ATOM 1561 CA LEU A 37 -12.252 7.884 -11.248 1.00 0.00 C ATOM 1562 C LEU A 37 -13.637 7.349 -11.668 1.00 0.00 C ATOM 1563 O LEU A 37 -14.066 7.569 -12.784 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.200 6.759 -11.375 1.00 0.00 C ATOM 1565 CG LEU A 37 -9.828 7.343 -11.762 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -9.447 8.482 -10.806 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -8.770 6.235 -11.697 1.00 0.00 C ATOM 0 H LEU A 37 -11.749 7.810 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.002 8.714 -11.908 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.119 6.221 -10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.520 6.038 -12.127 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.881 7.741 -12.775 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.475 8.886 -11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.198 9.270 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.397 8.100 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.797 6.644 -11.970 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.724 5.835 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.036 5.437 -12.390 1.00 0.00 H new ATOM 1579 N HIS A 38 -14.319 6.618 -10.812 1.00 0.00 N ATOM 1580 CA HIS A 38 -15.653 6.036 -11.202 1.00 0.00 C ATOM 1581 C HIS A 38 -16.806 6.663 -10.403 1.00 0.00 C ATOM 1582 O HIS A 38 -17.955 6.517 -10.764 1.00 0.00 O ATOM 1583 CB HIS A 38 -15.623 4.529 -10.930 1.00 0.00 C ATOM 1584 CG HIS A 38 -14.389 3.928 -11.543 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -13.074 3.958 -11.155 1.00 0.00 N flip ATOM 1586 CD2 HIS A 38 -14.423 3.180 -12.711 1.00 0.00 C flip ATOM 1587 CE1 HIS A 38 -12.300 3.242 -12.063 1.00 0.00 C flip ATOM 1588 NE2 HIS A 38 -13.160 2.793 -12.980 1.00 0.00 N flip ATOM 0 H HIS A 38 -14.013 6.399 -9.864 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.824 6.245 -12.258 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.635 4.343 -9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -16.514 4.057 -11.345 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.717 4.433 -10.326 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.300 2.950 -13.297 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.232 3.083 -12.032 1.00 0.00 H new ATOM 1596 N GLN A 39 -16.529 7.372 -9.342 1.00 0.00 N ATOM 1597 CA GLN A 39 -17.611 8.022 -8.536 1.00 0.00 C ATOM 1598 C GLN A 39 -18.786 7.071 -8.294 1.00 0.00 C ATOM 1599 O GLN A 39 -19.922 7.348 -8.618 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.035 9.337 -9.204 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.099 10.051 -8.353 1.00 0.00 C ATOM 1602 CD GLN A 39 -19.127 11.542 -8.700 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -18.304 12.018 -9.456 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -20.044 12.305 -8.171 1.00 0.00 N ATOM 0 H GLN A 39 -15.585 7.533 -8.992 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.221 8.263 -7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.167 9.984 -9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.431 9.136 -10.199 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -20.079 9.608 -8.533 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.879 9.919 -7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -20.735 11.906 -7.536 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.069 13.300 -8.392 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.502 5.954 -7.681 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.554 4.969 -7.345 1.00 0.00 C ATOM 1615 C VAL A 40 -19.117 4.218 -6.089 1.00 0.00 C ATOM 1616 O VAL A 40 -17.942 4.027 -5.848 1.00 0.00 O ATOM 1617 CB VAL A 40 -19.709 3.984 -8.490 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -20.498 4.632 -9.627 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -18.323 3.594 -8.987 1.00 0.00 C ATOM 0 H VAL A 40 -17.561 5.683 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.505 5.474 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.246 3.099 -8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.606 3.921 -10.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.485 4.923 -9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -19.967 5.515 -9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -18.418 2.886 -9.810 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -17.797 4.484 -9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -17.762 3.133 -8.175 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.047 3.782 -5.297 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.680 3.028 -4.059 1.00 0.00 C ATOM 1631 C ASN A 41 -19.504 1.544 -4.417 1.00 0.00 C ATOM 1632 O ASN A 41 -20.273 0.998 -5.184 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.792 3.176 -3.016 1.00 0.00 C ATOM 1634 CG ASN A 41 -22.119 2.702 -3.608 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.214 2.445 -4.791 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.158 2.578 -2.828 1.00 0.00 N ATOM 0 H ASN A 41 -21.048 3.911 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.751 3.423 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.550 2.593 -2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.874 4.217 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -24.050 2.265 -3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.078 2.794 -1.834 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.488 0.892 -3.891 1.00 0.00 N ATOM 1644 CA ARG A 42 -18.242 -0.554 -4.220 1.00 0.00 C ATOM 1645 C ARG A 42 -18.284 -1.399 -2.925 1.00 0.00 C ATOM 1646 O ARG A 42 -17.977 -0.901 -1.861 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.850 -0.668 -4.849 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.864 0.219 -4.068 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.434 -0.283 -4.274 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.502 0.485 -3.406 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.325 -0.005 -3.140 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -11.995 -1.181 -3.597 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -11.481 0.672 -2.409 1.00 0.00 N ATOM 0 H ARG A 42 -17.815 1.303 -3.244 1.00 0.00 H new ATOM 0 HA ARG A 42 -19.006 -0.917 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.515 -1.705 -4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.884 -0.360 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.947 1.253 -4.404 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.113 0.207 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.374 -1.345 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.147 -0.172 -5.320 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.782 1.388 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.658 -1.714 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.074 -1.568 -3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.743 1.588 -2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.560 0.285 -2.203 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.662 -2.666 -3.002 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.729 -3.540 -1.782 1.00 0.00 C ATOM 1669 C PRO A 43 -17.359 -3.745 -1.088 1.00 0.00 C ATOM 1670 O PRO A 43 -16.315 -3.674 -1.705 1.00 0.00 O ATOM 1671 CB PRO A 43 -19.286 -4.860 -2.354 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.172 -4.800 -3.885 1.00 0.00 C ATOM 1673 CD PRO A 43 -19.049 -3.324 -4.289 1.00 0.00 C ATOM 0 HA PRO A 43 -19.340 -3.103 -0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.727 -5.710 -1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -20.325 -4.997 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.303 -5.363 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.047 -5.252 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.295 -3.177 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.988 -2.931 -4.679 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.379 -3.995 0.203 1.00 0.00 N ATOM 1682 CA LEU A 44 -16.112 -4.205 0.988 1.00 0.00 C ATOM 1683 C LEU A 44 -15.380 -5.470 0.526 1.00 0.00 C ATOM 1684 O LEU A 44 -14.613 -6.055 1.267 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.473 -4.340 2.481 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.624 -2.948 3.097 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.830 -2.244 2.473 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.831 -3.061 4.612 1.00 0.00 C ATOM 0 H LEU A 44 -18.233 -4.064 0.756 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.452 -3.352 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.401 -4.901 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.697 -4.899 3.005 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.718 -2.373 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.939 -1.252 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.681 -2.151 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.731 -2.826 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.937 -2.064 5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.732 -3.641 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.971 -3.559 5.061 1.00 0.00 H new ATOM 1700 N THR A 45 -15.594 -5.895 -0.682 1.00 0.00 N ATOM 1701 CA THR A 45 -14.892 -7.109 -1.168 1.00 0.00 C ATOM 1702 C THR A 45 -13.397 -6.794 -1.348 1.00 0.00 C ATOM 1703 O THR A 45 -12.573 -7.683 -1.430 1.00 0.00 O ATOM 1704 CB THR A 45 -15.517 -7.552 -2.500 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.114 -8.881 -2.790 1.00 0.00 O ATOM 1706 CG2 THR A 45 -15.074 -6.622 -3.636 1.00 0.00 C ATOM 0 H THR A 45 -16.223 -5.456 -1.354 1.00 0.00 H new ATOM 0 HA THR A 45 -14.993 -7.918 -0.445 1.00 0.00 H new ATOM 0 HB THR A 45 -16.603 -7.505 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.513 -9.166 -3.639 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.526 -6.950 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.393 -5.603 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.988 -6.651 -3.727 1.00 0.00 H new ATOM 1714 N MET A 46 -13.042 -5.529 -1.409 1.00 0.00 N ATOM 1715 CA MET A 46 -11.598 -5.152 -1.583 1.00 0.00 C ATOM 1716 C MET A 46 -11.007 -4.756 -0.229 1.00 0.00 C ATOM 1717 O MET A 46 -9.841 -4.434 -0.117 1.00 0.00 O ATOM 1718 CB MET A 46 -11.494 -3.955 -2.533 1.00 0.00 C ATOM 1719 CG MET A 46 -11.940 -4.358 -3.943 1.00 0.00 C ATOM 1720 SD MET A 46 -10.606 -5.270 -4.767 1.00 0.00 S ATOM 1721 CE MET A 46 -9.658 -3.838 -5.349 1.00 0.00 C ATOM 0 H MET A 46 -13.688 -4.742 -1.346 1.00 0.00 H new ATOM 0 HA MET A 46 -11.052 -6.002 -1.993 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.114 -3.136 -2.168 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.467 -3.590 -2.559 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.837 -4.975 -3.889 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.198 -3.471 -4.521 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.592 -4.061 -5.297 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.932 -3.615 -6.380 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.879 -2.975 -4.720 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.811 -4.760 0.794 1.00 0.00 N ATOM 1732 CA ARG A 47 -11.319 -4.367 2.143 1.00 0.00 C ATOM 1733 C ARG A 47 -10.521 -5.512 2.775 1.00 0.00 C ATOM 1734 O ARG A 47 -10.977 -6.636 2.845 1.00 0.00 O ATOM 1735 CB ARG A 47 -12.531 -4.045 3.021 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.081 -3.644 4.428 1.00 0.00 C ATOM 1737 CD ARG A 47 -13.317 -3.382 5.279 1.00 0.00 C ATOM 1738 NE ARG A 47 -12.884 -2.964 6.645 1.00 0.00 N ATOM 1739 CZ ARG A 47 -13.754 -2.505 7.503 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -15.017 -2.430 7.186 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -13.359 -2.132 8.687 1.00 0.00 N ATOM 0 H ARG A 47 -12.796 -5.021 0.754 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.667 -3.498 2.056 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -13.108 -3.236 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -13.188 -4.913 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.477 -4.436 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.456 -2.752 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.930 -2.604 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.932 -4.280 5.337 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.902 -3.038 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.330 -2.731 6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.692 -2.070 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.373 -2.199 8.940 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.035 -1.773 9.361 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.335 -5.220 3.258 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.488 -6.265 3.920 1.00 0.00 C ATOM 1757 C LYS A 48 -7.999 -5.713 5.262 1.00 0.00 C ATOM 1758 O LYS A 48 -7.934 -4.515 5.458 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.277 -6.603 3.048 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.731 -7.346 1.788 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.497 -7.726 0.966 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.924 -8.418 -0.332 1.00 0.00 C ATOM 1763 NZ LYS A 48 -7.624 -9.695 -0.020 1.00 0.00 N ATOM 0 H LYS A 48 -8.914 -4.292 3.221 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.078 -7.170 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.751 -5.689 2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.574 -7.218 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.293 -8.240 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.398 -6.716 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.914 -6.834 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.853 -8.388 1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.582 -7.763 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.051 -8.615 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.685 -10.277 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.094 -10.212 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.582 -9.490 0.327 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.677 -6.563 6.200 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.222 -6.069 7.530 1.00 0.00 C ATOM 1779 C ASP A 49 -6.070 -5.066 7.374 1.00 0.00 C ATOM 1780 O ASP A 49 -6.272 -3.868 7.412 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.766 -7.264 8.372 1.00 0.00 C ATOM 1782 CG ASP A 49 -7.930 -8.248 8.521 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -8.958 -7.842 9.038 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -7.775 -9.387 8.111 1.00 0.00 O ATOM 0 H ASP A 49 -7.710 -7.578 6.102 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.048 -5.559 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.917 -7.756 7.897 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.431 -6.927 9.353 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.860 -5.539 7.236 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.694 -4.608 7.117 1.00 0.00 C ATOM 1791 C GLY A 50 -3.612 -4.001 5.713 1.00 0.00 C ATOM 1792 O GLY A 50 -4.495 -4.169 4.895 1.00 0.00 O ATOM 0 H GLY A 50 -4.626 -6.531 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.784 -3.812 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.772 -5.145 7.338 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.541 -3.298 5.432 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.361 -2.675 4.091 1.00 0.00 C ATOM 1798 C ILE A 51 -1.593 -3.640 3.182 1.00 0.00 C ATOM 1799 O ILE A 51 -0.724 -4.367 3.617 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.583 -1.366 4.258 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.373 -0.458 5.218 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.408 -0.668 2.897 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.867 0.983 5.137 1.00 0.00 C ATOM 0 H ILE A 51 -1.777 -3.130 6.086 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.329 -2.464 3.637 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.592 -1.572 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.433 -0.491 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.275 -0.827 6.239 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.853 0.260 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.859 -1.323 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.387 -0.447 2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.438 1.608 5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.812 1.014 5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.989 1.355 4.120 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.903 -3.631 1.917 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.188 -4.527 0.961 1.00 0.00 C ATOM 1817 C GLN A 52 0.156 -3.897 0.589 1.00 0.00 C ATOM 1818 O GLN A 52 0.340 -2.706 0.691 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.025 -4.698 -0.308 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.261 -5.542 -0.010 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.137 -5.614 -1.263 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.949 -6.506 -1.399 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.017 -4.694 -2.188 1.00 0.00 N ATOM 0 H GLN A 52 -2.623 -3.041 1.500 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.028 -5.499 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.325 -3.722 -0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.428 -5.175 -1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.965 -6.544 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.823 -5.106 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.335 -3.944 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.605 -4.728 -3.021 1.00 0.00 H new ATOM 1832 N THR A 53 1.110 -4.686 0.181 1.00 0.00 N ATOM 1833 CA THR A 53 2.442 -4.115 -0.189 1.00 0.00 C ATOM 1834 C THR A 53 2.970 -4.810 -1.440 1.00 0.00 C ATOM 1835 O THR A 53 2.556 -5.896 -1.798 1.00 0.00 O ATOM 1836 CB THR A 53 3.424 -4.281 0.972 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.750 -4.342 0.469 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.097 -5.559 1.735 1.00 0.00 C ATOM 0 H THR A 53 1.029 -5.698 0.087 1.00 0.00 H new ATOM 0 HA THR A 53 2.332 -3.051 -0.399 1.00 0.00 H new ATOM 0 HB THR A 53 3.339 -3.429 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.378 -4.447 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.796 -5.678 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.081 -5.500 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.180 -6.414 1.064 1.00 0.00 H new ATOM 1846 N ARG A 54 3.866 -4.157 -2.115 1.00 0.00 N ATOM 1847 CA ARG A 54 4.438 -4.714 -3.376 1.00 0.00 C ATOM 1848 C ARG A 54 5.871 -4.209 -3.539 1.00 0.00 C ATOM 1849 O ARG A 54 6.235 -3.174 -3.016 1.00 0.00 O ATOM 1850 CB ARG A 54 3.569 -4.236 -4.554 1.00 0.00 C ATOM 1851 CG ARG A 54 3.965 -4.945 -5.872 1.00 0.00 C ATOM 1852 CD ARG A 54 3.115 -6.206 -6.095 1.00 0.00 C ATOM 1853 NE ARG A 54 3.461 -7.229 -5.077 1.00 0.00 N ATOM 1854 CZ ARG A 54 2.697 -8.273 -4.931 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.645 -8.424 -5.689 1.00 0.00 N ATOM 1856 NH2 ARG A 54 2.987 -9.170 -4.032 1.00 0.00 N ATOM 0 H ARG A 54 4.236 -3.245 -1.846 1.00 0.00 H new ATOM 0 HA ARG A 54 4.449 -5.804 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.519 -4.430 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.676 -3.158 -4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.835 -4.261 -6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.021 -5.214 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.056 -5.958 -6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.289 -6.601 -7.096 1.00 0.00 H new ATOM 0 HE ARG A 54 4.291 -7.115 -4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.421 -7.724 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.047 -9.242 -5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.812 -9.054 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.389 -9.988 -3.917 1.00 0.00 H new ATOM 1870 N ASN A 55 6.689 -4.920 -4.264 1.00 0.00 N ATOM 1871 CA ASN A 55 8.087 -4.460 -4.452 1.00 0.00 C ATOM 1872 C ASN A 55 8.058 -3.041 -5.018 1.00 0.00 C ATOM 1873 O ASN A 55 7.259 -2.720 -5.876 1.00 0.00 O ATOM 1874 CB ASN A 55 8.801 -5.386 -5.442 1.00 0.00 C ATOM 1875 CG ASN A 55 9.009 -6.760 -4.805 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.771 -7.774 -5.430 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.448 -6.838 -3.579 1.00 0.00 N ATOM 0 H ASN A 55 6.449 -5.795 -4.731 1.00 0.00 H new ATOM 0 HA ASN A 55 8.617 -4.475 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.212 -5.483 -6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.762 -4.958 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.591 -7.750 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.648 -5.987 -3.054 1.00 0.00 H new ATOM 1884 N ARG A 56 8.911 -2.189 -4.536 1.00 0.00 N ATOM 1885 CA ARG A 56 8.927 -0.784 -5.032 1.00 0.00 C ATOM 1886 C ARG A 56 9.256 -0.752 -6.526 1.00 0.00 C ATOM 1887 O ARG A 56 10.220 -1.345 -6.969 1.00 0.00 O ATOM 1888 CB ARG A 56 10.006 -0.009 -4.278 1.00 0.00 C ATOM 1889 CG ARG A 56 9.677 0.007 -2.783 1.00 0.00 C ATOM 1890 CD ARG A 56 10.617 0.977 -2.062 1.00 0.00 C ATOM 1891 NE ARG A 56 10.623 0.676 -0.602 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.562 1.161 0.162 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.474 1.949 -0.342 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.583 0.862 1.433 1.00 0.00 N ATOM 0 H ARG A 56 9.602 -2.402 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 56 7.946 -0.337 -4.870 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.980 -0.470 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.068 1.011 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.641 0.308 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.782 -0.995 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.626 0.889 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.294 2.004 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 56 9.892 0.090 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.452 2.185 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.208 2.328 0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.867 0.251 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.316 1.239 2.034 1.00 0.00 H new ATOM 1908 N LYS A 57 8.466 -0.063 -7.307 1.00 0.00 N ATOM 1909 CA LYS A 57 8.741 0.006 -8.770 1.00 0.00 C ATOM 1910 C LYS A 57 10.147 0.556 -9.008 1.00 0.00 C ATOM 1911 O LYS A 57 10.924 0.716 -8.087 1.00 0.00 O ATOM 1912 CB LYS A 57 7.723 0.907 -9.443 1.00 0.00 C ATOM 1913 CG LYS A 57 7.738 2.262 -8.769 1.00 0.00 C ATOM 1914 CD LYS A 57 6.684 3.136 -9.428 1.00 0.00 C ATOM 1915 CE LYS A 57 6.738 4.550 -8.851 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.023 4.587 -7.543 1.00 0.00 N ATOM 0 H LYS A 57 7.644 0.454 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 57 8.670 -0.996 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.956 1.012 -10.503 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.729 0.465 -9.377 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.533 2.158 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.723 2.721 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.849 3.168 -10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.694 2.708 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.775 4.860 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.281 5.254 -9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.062 5.550 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.030 4.309 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.478 3.927 -6.880 1.00 0.00 H new ATOM 1930 N VAL A 58 10.481 0.844 -10.235 1.00 0.00 N ATOM 1931 CA VAL A 58 11.838 1.378 -10.527 1.00 0.00 C ATOM 1932 C VAL A 58 12.014 2.719 -9.821 1.00 0.00 C ATOM 1933 O VAL A 58 11.147 3.570 -9.863 1.00 0.00 O ATOM 1934 CB VAL A 58 11.998 1.577 -12.034 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.393 2.133 -12.333 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.821 0.231 -12.740 1.00 0.00 C ATOM 0 H VAL A 58 9.873 0.732 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 58 12.589 0.673 -10.172 1.00 0.00 H new ATOM 0 HB VAL A 58 11.247 2.281 -12.392 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.506 2.274 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.520 3.090 -11.826 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.148 1.431 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.934 0.367 -13.816 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.575 -0.470 -12.381 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.828 -0.164 -12.527 1.00 0.00 H new