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 151:sc= 0.694 USER MOD Set 1.2: A 10 CYS SG : rot -53:sc= -0.615 USER MOD Set 1.3: A 28 CYS SG : rot -124:sc= 0.871 USER MOD Set 1.4: A 31 CYS SG : rot 145:sc= 0.196 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 78:sc= 0.579 USER MOD Single : A 9 ASN : amide:sc= -2.25! C(o=-2.3!,f=-2.9!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -161:sc= -0.183 USER MOD Single : A 15 THR OG1 : rot -129:sc= 0.862 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 21 SER OG : rot -112:sc= -0.367 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.874 F(o=-3.4!,f=-0.87) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 41 ASN : amide:sc=-0.00767! C(o=-0.0077!,f=-9.2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 46 MET CE :methyl -177:sc= 0 (180deg=-0.00628) USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= -0.814 (180deg=-2.87!) USER MOD Single : A 52 GLN : amide:sc= -3.96! C(o=-4!,f=-6.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.178 9.542 14.345 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.926 9.123 15.562 1.00 0.00 C ATOM 1070 C ALA A 3 -8.434 9.207 15.317 1.00 0.00 C ATOM 1071 O ALA A 3 -8.988 10.273 15.135 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.550 10.040 16.726 1.00 0.00 C ATOM 0 HA ALA A 3 -6.665 8.092 15.800 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.096 9.736 17.619 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.479 9.969 16.914 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.807 11.069 16.476 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.103 8.086 15.331 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.578 8.088 15.122 1.00 0.00 C ATOM 1080 C GLY A 4 -10.903 8.187 13.632 1.00 0.00 C ATOM 1081 O GLY A 4 -12.034 7.999 13.228 1.00 0.00 O ATOM 0 H GLY A 4 -8.689 7.166 15.479 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.012 7.178 15.536 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.026 8.926 15.655 1.00 0.00 H new ATOM 1085 N THR A 5 -9.942 8.499 12.807 1.00 0.00 N ATOM 1086 CA THR A 5 -10.252 8.623 11.359 1.00 0.00 C ATOM 1087 C THR A 5 -10.552 7.250 10.766 1.00 0.00 C ATOM 1088 O THR A 5 -9.690 6.400 10.661 1.00 0.00 O ATOM 1089 CB THR A 5 -9.076 9.238 10.609 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.597 10.370 11.324 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.535 9.668 9.209 1.00 0.00 C ATOM 0 H THR A 5 -8.971 8.671 13.069 1.00 0.00 H new ATOM 0 HA THR A 5 -11.124 9.269 11.255 1.00 0.00 H new ATOM 0 HB THR A 5 -8.275 8.504 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.840 10.764 10.843 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.696 10.108 8.670 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.901 8.798 8.663 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.335 10.403 9.298 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.772 7.051 10.348 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.180 5.763 9.712 1.00 0.00 C ATOM 1101 C VAL A 6 -12.680 6.104 8.313 1.00 0.00 C ATOM 1102 O VAL A 6 -13.326 7.115 8.118 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.310 5.114 10.519 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.808 4.741 11.916 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.473 6.099 10.645 1.00 0.00 C ATOM 0 H VAL A 6 -12.520 7.741 10.422 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.345 5.064 9.675 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.644 4.212 10.006 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.617 4.281 12.483 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.980 4.038 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.469 5.639 12.432 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.278 5.640 11.219 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.133 7.000 11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.838 6.360 9.652 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.397 5.300 7.330 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.873 5.632 5.961 1.00 0.00 C ATOM 1117 C CYS A 7 -14.389 5.755 5.957 1.00 0.00 C ATOM 1118 O CYS A 7 -15.108 4.814 6.229 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.453 4.519 5.014 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.823 4.995 3.310 1.00 0.00 S ATOM 0 H CYS A 7 -11.862 4.435 7.413 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.439 6.579 5.641 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.387 4.319 5.122 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.977 3.597 5.266 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.982 4.416 2.505 1.00 0.00 H new ATOM 1125 N SER A 8 -14.876 6.916 5.641 1.00 0.00 N ATOM 1126 CA SER A 8 -16.340 7.126 5.605 1.00 0.00 C ATOM 1127 C SER A 8 -16.974 6.182 4.587 1.00 0.00 C ATOM 1128 O SER A 8 -18.064 5.684 4.789 1.00 0.00 O ATOM 1129 CB SER A 8 -16.633 8.570 5.205 1.00 0.00 C ATOM 1130 OG SER A 8 -16.128 9.446 6.206 1.00 0.00 O ATOM 0 H SER A 8 -14.316 7.735 5.404 1.00 0.00 H new ATOM 0 HA SER A 8 -16.757 6.924 6.592 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.172 8.794 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.707 8.716 5.086 1.00 0.00 H new ATOM 0 HG SER A 8 -15.158 9.539 6.100 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.327 5.960 3.466 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.945 5.082 2.436 1.00 0.00 C ATOM 1138 C ASN A 9 -16.756 3.593 2.759 1.00 0.00 C ATOM 1139 O ASN A 9 -17.651 2.814 2.499 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.322 5.395 1.074 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.752 6.797 0.636 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.731 7.325 1.124 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -16.059 7.426 -0.273 1.00 0.00 N ATOM 0 H ASN A 9 -15.413 6.344 3.227 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.017 5.281 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.235 5.337 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.639 4.657 0.337 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.340 8.360 -0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.237 6.984 -0.684 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.614 3.152 3.294 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.455 1.672 3.571 1.00 0.00 C ATOM 1152 C CYS A 10 -14.987 1.375 5.010 1.00 0.00 C ATOM 1153 O CYS A 10 -14.596 0.267 5.307 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.509 1.021 2.542 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.773 1.308 2.973 1.00 0.00 S ATOM 0 H CYS A 10 -14.815 3.736 3.541 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.446 1.229 3.470 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.702 -0.051 2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.712 1.426 1.551 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.572 2.582 3.138 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.085 2.314 5.917 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.729 2.041 7.356 1.00 0.00 C ATOM 1162 C GLN A 11 -13.276 1.572 7.586 1.00 0.00 C ATOM 1163 O GLN A 11 -12.869 1.408 8.719 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.706 0.980 7.895 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.521 0.790 9.404 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.725 0.035 9.975 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.831 0.539 9.971 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -16.558 -1.163 10.468 1.00 0.00 N ATOM 0 H GLN A 11 -15.398 3.266 5.728 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.811 2.989 7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.732 1.283 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.542 0.033 7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.604 0.236 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -15.420 1.759 9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.631 -1.588 10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -17.355 -1.674 10.849 1.00 0.00 H new ATOM 1177 N THR A 12 -12.470 1.356 6.582 1.00 0.00 N ATOM 1178 CA THR A 12 -11.076 0.904 6.895 1.00 0.00 C ATOM 1179 C THR A 12 -10.393 1.959 7.781 1.00 0.00 C ATOM 1180 O THR A 12 -10.697 3.132 7.682 1.00 0.00 O ATOM 1181 CB THR A 12 -10.264 0.684 5.596 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.044 0.032 5.921 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.940 2.011 4.881 1.00 0.00 C ATOM 0 H THR A 12 -12.699 1.466 5.594 1.00 0.00 H new ATOM 0 HA THR A 12 -11.119 -0.047 7.426 1.00 0.00 H new ATOM 0 HB THR A 12 -10.870 0.078 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.523 -0.113 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.369 1.806 3.975 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.868 2.519 4.618 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.353 2.647 5.543 1.00 0.00 H new ATOM 1191 N SER A 13 -9.461 1.569 8.626 1.00 0.00 N ATOM 1192 CA SER A 13 -8.743 2.576 9.488 1.00 0.00 C ATOM 1193 C SER A 13 -7.233 2.340 9.358 1.00 0.00 C ATOM 1194 O SER A 13 -6.447 2.774 10.176 1.00 0.00 O ATOM 1195 CB SER A 13 -9.187 2.440 10.950 1.00 0.00 C ATOM 1196 OG SER A 13 -8.861 1.141 11.430 1.00 0.00 O ATOM 0 H SER A 13 -9.166 0.601 8.757 1.00 0.00 H new ATOM 0 HA SER A 13 -8.986 3.586 9.159 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.697 3.198 11.561 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.261 2.610 11.032 1.00 0.00 H new ATOM 0 HG SER A 13 -9.144 1.057 12.364 1.00 0.00 H new ATOM 1202 N THR A 14 -6.832 1.651 8.317 1.00 0.00 N ATOM 1203 CA THR A 14 -5.382 1.360 8.075 1.00 0.00 C ATOM 1204 C THR A 14 -5.003 1.879 6.690 1.00 0.00 C ATOM 1205 O THR A 14 -4.466 1.168 5.879 1.00 0.00 O ATOM 1206 CB THR A 14 -5.155 -0.151 8.105 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.547 -0.707 6.857 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.985 -0.770 9.226 1.00 0.00 C ATOM 0 H THR A 14 -7.461 1.270 7.610 1.00 0.00 H new ATOM 0 HA THR A 14 -4.778 1.841 8.844 1.00 0.00 H new ATOM 0 HB THR A 14 -4.100 -0.360 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.688 -1.671 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.822 -1.848 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.685 -0.339 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.041 -0.566 9.052 1.00 0.00 H new ATOM 1216 N THR A 15 -5.352 3.086 6.394 1.00 0.00 N ATOM 1217 CA THR A 15 -5.077 3.643 5.031 1.00 0.00 C ATOM 1218 C THR A 15 -3.616 4.065 4.887 1.00 0.00 C ATOM 1219 O THR A 15 -2.968 4.436 5.845 1.00 0.00 O ATOM 1220 CB THR A 15 -5.948 4.880 4.835 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.314 5.999 5.438 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.284 4.643 5.520 1.00 0.00 C ATOM 0 H THR A 15 -5.821 3.727 7.035 1.00 0.00 H new ATOM 0 HA THR A 15 -5.294 2.873 4.291 1.00 0.00 H new ATOM 0 HB THR A 15 -6.095 5.070 3.772 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.948 6.454 6.031 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.920 5.519 5.390 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.770 3.773 5.079 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.122 4.468 6.583 1.00 0.00 H new ATOM 1230 N THR A 16 -3.105 4.049 3.682 1.00 0.00 N ATOM 1231 CA THR A 16 -1.702 4.494 3.475 1.00 0.00 C ATOM 1232 C THR A 16 -1.687 6.020 3.511 1.00 0.00 C ATOM 1233 O THR A 16 -0.808 6.633 4.084 1.00 0.00 O ATOM 1234 CB THR A 16 -1.180 4.029 2.113 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.984 4.592 1.086 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.209 2.502 2.006 1.00 0.00 C ATOM 0 H THR A 16 -3.598 3.749 2.841 1.00 0.00 H new ATOM 0 HA THR A 16 -1.067 4.070 4.253 1.00 0.00 H new ATOM 0 HB THR A 16 -0.147 4.361 2.005 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.652 4.298 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.833 2.199 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.582 2.071 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.233 2.148 2.127 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.685 6.643 2.923 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.763 8.138 2.949 1.00 0.00 C ATOM 1246 C LEU A 17 -4.230 8.528 3.108 1.00 0.00 C ATOM 1247 O LEU A 17 -5.096 8.014 2.428 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.197 8.765 1.653 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.533 10.117 1.982 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.251 9.895 2.831 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.200 10.859 0.669 1.00 0.00 C ATOM 0 H LEU A 17 -3.447 6.179 2.428 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.163 8.511 3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.470 8.092 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.997 8.908 0.926 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.222 10.726 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.208 10.858 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.513 9.392 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.454 9.279 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.730 11.815 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.517 10.254 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.117 11.032 0.106 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.523 9.424 4.001 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.933 9.833 4.199 1.00 0.00 C ATOM 1265 C TRP A 18 -6.342 10.843 3.131 1.00 0.00 C ATOM 1266 O TRP A 18 -5.688 11.843 2.912 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.062 10.464 5.589 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.138 9.367 6.603 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.177 9.059 7.498 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.212 8.407 6.805 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.605 7.978 8.251 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.852 7.546 7.863 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.455 8.211 6.182 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.694 6.522 8.292 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.304 7.178 6.608 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.926 6.336 7.662 1.00 0.00 C ATOM 0 H TRP A 18 -3.845 9.891 4.603 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.586 8.964 4.119 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.208 11.110 5.793 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.953 11.089 5.640 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.232 9.570 7.609 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.061 7.554 9.002 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.759 8.858 5.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.396 5.877 9.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.256 7.031 6.120 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.586 5.545 7.986 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.436 10.577 2.473 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.946 11.488 1.409 1.00 0.00 C ATOM 1289 C ARG A 19 -9.309 12.040 1.822 1.00 0.00 C ATOM 1290 O ARG A 19 -10.181 11.300 2.209 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.124 10.675 0.110 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.773 10.512 -0.623 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.378 11.824 -1.316 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.435 11.536 -2.451 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.317 10.873 -2.278 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.887 10.581 -1.080 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.596 10.547 -3.314 1.00 0.00 N ATOM 0 H ARG A 19 -8.010 9.749 2.631 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.243 12.308 1.259 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.537 9.694 0.343 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.839 11.175 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.999 10.221 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.846 9.712 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.268 12.331 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.905 12.496 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.673 11.867 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.423 10.869 -0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.015 10.065 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.903 10.808 -4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.725 10.031 -3.187 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.521 13.321 1.741 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.861 13.858 2.109 1.00 0.00 C ATOM 1313 C ARG A 20 -11.763 13.706 0.876 1.00 0.00 C ATOM 1314 O ARG A 20 -11.303 13.808 -0.244 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.732 15.331 2.508 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.930 15.449 3.821 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.735 14.874 5.001 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.347 15.569 6.273 1.00 0.00 N ATOM 1319 CZ ARG A 20 -9.099 15.669 6.654 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -8.154 15.028 6.022 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -8.805 16.376 7.712 1.00 0.00 N ATOM 0 H ARG A 20 -8.835 14.014 1.440 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.286 13.319 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.234 15.890 1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.721 15.771 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.984 14.916 3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.689 16.494 4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.802 14.999 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.550 13.803 5.091 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.077 15.975 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.384 14.440 5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.185 15.115 6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.545 16.845 8.234 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.835 16.459 8.016 1.00 0.00 H new ATOM 1335 N SER A 21 -13.037 13.452 1.059 1.00 0.00 N ATOM 1336 CA SER A 21 -13.948 13.284 -0.126 1.00 0.00 C ATOM 1337 C SER A 21 -14.584 14.633 -0.492 1.00 0.00 C ATOM 1338 O SER A 21 -14.634 15.531 0.318 1.00 0.00 O ATOM 1339 CB SER A 21 -15.046 12.255 0.203 1.00 0.00 C ATOM 1340 OG SER A 21 -16.310 12.732 -0.250 1.00 0.00 O ATOM 0 H SER A 21 -13.486 13.354 1.969 1.00 0.00 H new ATOM 0 HA SER A 21 -13.367 12.925 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.816 11.301 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.079 12.077 1.278 1.00 0.00 H new ATOM 0 HG SER A 21 -16.880 12.931 0.522 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.074 14.776 -1.706 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.727 16.046 -2.134 1.00 0.00 C ATOM 1348 C PRO A 22 -16.788 16.541 -1.130 1.00 0.00 C ATOM 1349 O PRO A 22 -17.104 17.713 -1.082 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.382 15.646 -3.477 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.931 14.216 -3.842 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.001 13.697 -2.736 1.00 0.00 C ATOM 0 HA PRO A 22 -15.021 16.873 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.468 15.690 -3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.092 16.345 -4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.796 13.562 -3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.414 14.216 -4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.338 12.738 -2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.983 13.553 -3.099 1.00 0.00 H new ATOM 1360 N MET A 23 -17.342 15.657 -0.337 1.00 0.00 N ATOM 1361 CA MET A 23 -18.385 16.075 0.653 1.00 0.00 C ATOM 1362 C MET A 23 -17.722 16.432 1.988 1.00 0.00 C ATOM 1363 O MET A 23 -18.354 16.940 2.892 1.00 0.00 O ATOM 1364 CB MET A 23 -19.366 14.918 0.861 1.00 0.00 C ATOM 1365 CG MET A 23 -20.186 14.713 -0.414 1.00 0.00 C ATOM 1366 SD MET A 23 -21.261 13.266 -0.214 1.00 0.00 S ATOM 1367 CE MET A 23 -22.196 13.426 -1.760 1.00 0.00 C ATOM 0 H MET A 23 -17.117 14.662 -0.332 1.00 0.00 H new ATOM 0 HA MET A 23 -18.917 16.949 0.276 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.823 14.006 1.108 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.027 15.133 1.701 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.786 15.599 -0.620 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.523 14.572 -1.267 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.923 12.617 -1.831 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.716 14.384 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.511 13.373 -2.606 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.455 16.153 2.120 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.739 16.453 3.395 1.00 0.00 C ATOM 1379 C GLY A 24 -15.813 15.230 4.310 1.00 0.00 C ATOM 1380 O GLY A 24 -15.718 15.334 5.518 1.00 0.00 O ATOM 0 H GLY A 24 -15.879 15.727 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.699 16.708 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.189 17.317 3.885 1.00 0.00 H new ATOM 1384 N ASP A 25 -15.980 14.066 3.737 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.060 12.812 4.540 1.00 0.00 C ATOM 1386 C ASP A 25 -14.707 12.067 4.468 1.00 0.00 C ATOM 1387 O ASP A 25 -14.301 11.661 3.400 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.132 11.917 3.914 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.485 12.627 3.960 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.576 13.721 3.427 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.408 12.065 4.526 1.00 0.00 O ATOM 0 H ASP A 25 -16.066 13.931 2.730 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.298 13.048 5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.868 11.683 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.189 10.970 4.451 1.00 0.00 H new ATOM 1396 N PRO A 26 -13.996 11.874 5.561 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.686 11.153 5.490 1.00 0.00 C ATOM 1398 C PRO A 26 -12.774 9.812 4.728 1.00 0.00 C ATOM 1399 O PRO A 26 -13.571 8.956 5.062 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.361 10.937 6.980 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.224 11.914 7.796 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.412 12.339 6.921 1.00 0.00 C ATOM 0 HA PRO A 26 -11.926 11.708 4.940 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.570 9.908 7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.302 11.113 7.169 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.576 11.439 8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.638 12.784 8.093 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.342 11.870 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.572 13.417 6.950 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.933 9.618 3.728 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.937 8.316 2.961 1.00 0.00 C ATOM 1412 C VAL A 27 -10.507 7.781 2.843 1.00 0.00 C ATOM 1413 O VAL A 27 -9.548 8.514 2.974 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.542 8.486 1.557 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.064 8.570 1.666 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -11.995 9.751 0.885 1.00 0.00 C ATOM 0 H VAL A 27 -11.246 10.302 3.410 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.556 7.607 3.510 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.267 7.626 0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.494 8.691 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.447 7.656 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.338 9.424 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.434 9.855 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.250 10.623 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.911 9.676 0.796 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.355 6.499 2.590 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.987 5.920 2.460 1.00 0.00 C ATOM 1428 C CYS A 28 -8.458 6.169 1.044 1.00 0.00 C ATOM 1429 O CYS A 28 -9.214 6.355 0.111 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.007 4.416 2.821 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.851 3.406 1.565 1.00 0.00 S ATOM 0 H CYS A 28 -11.120 5.835 2.469 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.309 6.409 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.983 4.061 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.504 4.283 3.782 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.814 2.735 2.123 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.162 6.229 0.890 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.575 6.531 -0.450 1.00 0.00 C ATOM 1438 C ASN A 29 -7.177 5.637 -1.534 1.00 0.00 C ATOM 1439 O ASN A 29 -7.279 6.033 -2.678 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.057 6.337 -0.401 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.459 6.664 -1.770 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.105 7.893 -2.037 1.00 0.00 O flip ATOM 1443 ND2 ASN A 29 -4.323 5.796 -2.611 1.00 0.00 N flip ATOM 0 H ASN A 29 -6.482 6.082 1.636 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.807 7.566 -0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.621 6.982 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.819 5.310 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.599 4.836 -2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.933 6.028 -3.524 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.581 4.449 -1.206 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.175 3.571 -2.252 1.00 0.00 C ATOM 1452 C ALA A 30 -9.576 4.077 -2.640 1.00 0.00 C ATOM 1453 O ALA A 30 -9.861 4.293 -3.802 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.257 2.149 -1.721 1.00 0.00 C ATOM 0 H ALA A 30 -7.529 4.047 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.546 3.590 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.691 1.501 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.257 1.796 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.882 2.129 -0.828 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.456 4.265 -1.684 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.835 4.751 -2.026 1.00 0.00 C ATOM 1462 C CYS A 31 -11.742 6.086 -2.749 1.00 0.00 C ATOM 1463 O CYS A 31 -12.439 6.336 -3.694 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.667 4.980 -0.758 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.187 3.412 -0.049 1.00 0.00 S ATOM 0 H CYS A 31 -10.283 4.105 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.306 3.992 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.081 5.538 -0.028 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.542 5.586 -0.995 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.206 3.507 1.247 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.904 6.959 -2.297 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.817 8.279 -2.965 1.00 0.00 C ATOM 1472 C GLY A 32 -10.546 8.086 -4.454 1.00 0.00 C ATOM 1473 O GLY A 32 -11.195 8.676 -5.295 1.00 0.00 O ATOM 0 H GLY A 32 -10.279 6.822 -1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.746 8.831 -2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.022 8.873 -2.515 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.586 7.274 -4.790 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.267 7.053 -6.227 1.00 0.00 C ATOM 1479 C LEU A 33 -10.381 6.263 -6.919 1.00 0.00 C ATOM 1480 O LEU A 33 -10.894 6.671 -7.941 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.956 6.279 -6.324 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.834 7.099 -5.669 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.573 6.233 -5.536 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.528 8.352 -6.520 1.00 0.00 C ATOM 0 H LEU A 33 -9.007 6.753 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.176 8.019 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.053 5.313 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.714 6.079 -7.368 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.156 7.418 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.778 6.816 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.793 5.362 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.251 5.904 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.731 8.927 -6.048 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.212 8.046 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.424 8.968 -6.596 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.765 5.140 -6.383 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.844 4.351 -7.039 1.00 0.00 C ATOM 1498 C TYR A 34 -13.118 5.186 -7.113 1.00 0.00 C ATOM 1499 O TYR A 34 -13.802 5.205 -8.116 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.124 3.073 -6.243 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.317 2.364 -6.842 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.606 2.755 -6.476 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -13.134 1.328 -7.765 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.716 2.114 -7.030 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -14.247 0.683 -8.319 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.538 1.077 -7.952 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.636 0.444 -8.501 1.00 0.00 O ATOM 0 H TYR A 34 -10.383 4.737 -5.527 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.520 4.083 -8.045 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.251 2.420 -6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.318 3.316 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.745 3.554 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.137 1.027 -8.049 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.713 2.419 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -14.108 -0.119 -9.029 1.00 0.00 H new ATOM 0 HH TYR A 34 -16.336 -0.251 -9.123 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.455 5.859 -6.054 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.696 6.672 -6.061 1.00 0.00 C ATOM 1519 C TYR A 35 -14.599 7.765 -7.128 1.00 0.00 C ATOM 1520 O TYR A 35 -15.507 7.990 -7.879 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.916 7.322 -4.687 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.362 7.725 -4.578 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.774 8.968 -5.058 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.292 6.841 -4.021 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.125 9.335 -4.980 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.640 7.201 -3.939 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.058 8.450 -4.419 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.389 8.808 -4.342 1.00 0.00 O ATOM 0 H TYR A 35 -12.924 5.881 -5.183 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.537 6.017 -6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.656 6.624 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.270 8.192 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.053 9.647 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.968 5.879 -3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.447 10.297 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.357 6.519 -3.507 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.900 8.081 -3.928 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.515 8.461 -7.200 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.418 9.538 -8.222 1.00 0.00 C ATOM 1540 C LYS A 36 -13.579 8.953 -9.627 1.00 0.00 C ATOM 1541 O LYS A 36 -14.240 9.525 -10.470 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.045 10.203 -8.098 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.889 11.300 -9.155 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.549 12.021 -8.954 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.393 11.169 -9.499 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.162 12.004 -9.587 1.00 0.00 N ATOM 0 H LYS A 36 -12.695 8.339 -6.606 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.209 10.269 -8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.928 10.629 -7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.260 9.457 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.934 10.866 -10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.711 12.011 -9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.568 12.985 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.393 12.222 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.219 10.313 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.649 10.775 -10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.378 11.429 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.332 12.807 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.915 12.360 -8.641 1.00 0.00 H new ATOM 1560 N LEU A 37 -12.976 7.834 -9.897 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.094 7.241 -11.260 1.00 0.00 C ATOM 1562 C LEU A 37 -14.504 6.680 -11.511 1.00 0.00 C ATOM 1563 O LEU A 37 -15.048 6.848 -12.585 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.047 6.119 -11.404 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.724 6.690 -11.935 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.192 7.770 -10.985 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.700 5.559 -12.043 1.00 0.00 C ATOM 0 H LEU A 37 -12.407 7.303 -9.238 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.916 8.022 -11.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.883 5.639 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.418 5.351 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.894 7.136 -12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.254 8.166 -11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.921 8.576 -10.906 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.022 7.336 -10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.757 5.956 -12.420 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.541 5.117 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.071 4.796 -12.727 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.085 5.986 -10.558 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.444 5.378 -10.783 1.00 0.00 C ATOM 1581 C HIS A 38 -17.530 6.049 -9.923 1.00 0.00 C ATOM 1582 O HIS A 38 -18.689 5.720 -10.039 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.375 3.888 -10.437 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.392 3.202 -11.346 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.790 2.537 -12.495 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.026 3.065 -11.288 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.686 2.033 -13.076 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.583 2.324 -12.382 1.00 0.00 N ATOM 0 H HIS A 38 -14.681 5.813 -9.637 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.715 5.527 -11.828 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.074 3.760 -9.397 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.360 3.434 -10.542 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.392 3.470 -10.513 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.691 1.462 -13.993 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.623 2.061 -12.605 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.189 6.984 -9.076 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.204 7.683 -8.212 1.00 0.00 C ATOM 1598 C GLN A 39 -19.306 6.747 -7.707 1.00 0.00 C ATOM 1599 O GLN A 39 -20.470 7.093 -7.680 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.778 8.908 -8.935 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.594 8.493 -10.168 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.144 9.748 -10.850 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.440 10.726 -11.000 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.380 9.763 -11.270 1.00 0.00 N ATOM 0 H GLN A 39 -16.230 7.304 -8.939 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.681 8.028 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.410 9.474 -8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.966 9.568 -9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.968 7.932 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.412 7.836 -9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.971 8.942 -11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.754 10.596 -11.724 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.933 5.584 -7.244 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.919 4.633 -6.667 1.00 0.00 C ATOM 1615 C VAL A 40 -19.252 3.912 -5.497 1.00 0.00 C ATOM 1616 O VAL A 40 -18.041 3.832 -5.417 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.361 3.609 -7.710 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.243 4.290 -8.760 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.136 2.963 -8.379 1.00 0.00 C ATOM 0 H VAL A 40 -17.969 5.250 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.801 5.180 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.936 2.825 -7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.557 3.557 -9.503 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.122 4.715 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.679 5.084 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.467 2.235 -9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.540 3.733 -8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.531 2.462 -7.624 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.020 3.392 -4.583 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.411 2.684 -3.416 1.00 0.00 C ATOM 1631 C ASN A 41 -19.104 1.233 -3.802 1.00 0.00 C ATOM 1632 O ASN A 41 -19.953 0.521 -4.299 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.388 2.706 -2.239 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.738 2.146 -2.687 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -22.071 2.194 -3.855 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.536 1.614 -1.803 1.00 0.00 N ATOM 0 H ASN A 41 -21.039 3.424 -4.590 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.487 3.185 -3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.993 2.114 -1.413 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.509 3.725 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.439 1.238 -2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.257 1.574 -0.823 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.884 0.793 -3.594 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.501 -0.607 -3.966 1.00 0.00 C ATOM 1645 C ARG A 42 -17.497 -1.515 -2.709 1.00 0.00 C ATOM 1646 O ARG A 42 -16.939 -1.139 -1.697 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.089 -0.579 -4.553 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.756 -1.941 -5.160 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.334 -1.910 -5.722 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.978 -3.256 -6.247 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.958 -3.390 -7.047 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.254 -2.343 -7.386 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.642 -4.568 -7.511 1.00 0.00 N ATOM 0 H ARG A 42 -17.134 1.347 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.217 -0.999 -4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.017 0.197 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -15.367 -0.330 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.843 -2.720 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -16.466 -2.183 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.262 -1.167 -6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.630 -1.614 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.531 -4.071 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.503 -1.422 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.455 -2.446 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.193 -5.385 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.844 -4.672 -8.137 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.087 -2.705 -2.749 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.077 -3.602 -1.551 1.00 0.00 C ATOM 1669 C PRO A 43 -16.662 -3.801 -0.969 1.00 0.00 C ATOM 1670 O PRO A 43 -15.672 -3.722 -1.670 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.650 -4.922 -2.106 1.00 0.00 C ATOM 1672 CG PRO A 43 -19.210 -4.657 -3.517 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.793 -3.240 -3.954 1.00 0.00 C ATOM 0 HA PRO A 43 -18.650 -3.192 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -17.873 -5.686 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.436 -5.299 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.829 -5.397 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -20.296 -4.748 -3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -18.140 -3.263 -4.826 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.656 -2.630 -4.219 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.573 -4.059 0.310 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.239 -4.265 0.958 1.00 0.00 C ATOM 1683 C LEU A 44 -14.648 -5.611 0.527 1.00 0.00 C ATOM 1684 O LEU A 44 -13.735 -6.119 1.147 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.430 -4.277 2.487 1.00 0.00 C ATOM 1686 CG LEU A 44 -15.325 -2.854 3.044 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -16.486 -1.994 2.522 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -15.370 -2.920 4.574 1.00 0.00 C ATOM 0 H LEU A 44 -17.372 -4.137 0.939 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.565 -3.462 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.402 -4.702 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.676 -4.913 2.950 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.388 -2.401 2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -16.401 -0.985 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -16.449 -1.955 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -17.433 -2.432 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -15.296 -1.913 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.309 -3.373 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.537 -3.521 4.937 1.00 0.00 H new ATOM 1700 N THR A 45 -15.165 -6.203 -0.506 1.00 0.00 N ATOM 1701 CA THR A 45 -14.634 -7.522 -0.940 1.00 0.00 C ATOM 1702 C THR A 45 -13.107 -7.472 -1.059 1.00 0.00 C ATOM 1703 O THR A 45 -12.449 -8.489 -0.953 1.00 0.00 O ATOM 1704 CB THR A 45 -15.243 -7.904 -2.299 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.347 -6.743 -3.111 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.632 -8.516 -2.098 1.00 0.00 C ATOM 0 H THR A 45 -15.931 -5.833 -1.069 1.00 0.00 H new ATOM 0 HA THR A 45 -14.905 -8.270 -0.194 1.00 0.00 H new ATOM 0 HB THR A 45 -14.600 -8.637 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.734 -6.984 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.055 -8.783 -3.066 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.550 -9.409 -1.479 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.281 -7.792 -1.606 1.00 0.00 H new ATOM 1714 N MET A 46 -12.532 -6.315 -1.301 1.00 0.00 N ATOM 1715 CA MET A 46 -11.037 -6.234 -1.452 1.00 0.00 C ATOM 1716 C MET A 46 -10.401 -5.555 -0.237 1.00 0.00 C ATOM 1717 O MET A 46 -9.195 -5.449 -0.142 1.00 0.00 O ATOM 1718 CB MET A 46 -10.702 -5.452 -2.730 1.00 0.00 C ATOM 1719 CG MET A 46 -11.155 -3.989 -2.608 1.00 0.00 C ATOM 1720 SD MET A 46 -11.505 -3.324 -4.263 1.00 0.00 S ATOM 1721 CE MET A 46 -9.800 -3.174 -4.864 1.00 0.00 C ATOM 0 H MET A 46 -13.027 -5.429 -1.400 1.00 0.00 H new ATOM 0 HA MET A 46 -10.633 -7.244 -1.522 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.628 -5.491 -2.915 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.190 -5.918 -3.586 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.045 -3.924 -1.982 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.380 -3.396 -2.123 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.803 -2.727 -5.858 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.229 -2.542 -4.184 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.343 -4.162 -4.912 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.191 -5.102 0.697 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.608 -4.441 1.905 1.00 0.00 C ATOM 1733 C ARG A 47 -10.168 -5.511 2.918 1.00 0.00 C ATOM 1734 O ARG A 47 -10.762 -6.565 3.018 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.664 -3.504 2.537 1.00 0.00 C ATOM 1736 CG ARG A 47 -11.021 -2.173 2.965 1.00 0.00 C ATOM 1737 CD ARG A 47 -10.793 -1.254 1.747 1.00 0.00 C ATOM 1738 NE ARG A 47 -9.471 -1.556 1.129 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.185 -1.100 -0.061 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -10.047 -0.355 -0.699 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -8.034 -1.380 -0.608 1.00 0.00 N ATOM 0 H ARG A 47 -12.209 -5.159 0.679 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.737 -3.852 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.464 -3.314 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.118 -3.989 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.663 -1.671 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -10.071 -2.367 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.588 -1.399 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.831 -0.209 2.056 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.789 -2.120 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.943 -0.129 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.824 0.001 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.357 -1.955 -0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.811 -1.024 -1.537 1.00 0.00 H new ATOM 1755 N LYS A 48 -9.132 -5.242 3.670 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.650 -6.230 4.680 1.00 0.00 C ATOM 1757 C LYS A 48 -8.024 -5.486 5.867 1.00 0.00 C ATOM 1758 O LYS A 48 -7.887 -4.280 5.855 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.647 -7.186 4.036 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.579 -6.399 3.280 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.622 -7.373 2.558 1.00 0.00 C ATOM 1762 CE LYS A 48 -4.498 -7.836 3.499 1.00 0.00 C ATOM 1763 NZ LYS A 48 -5.022 -8.868 4.438 1.00 0.00 N ATOM 0 H LYS A 48 -8.596 -4.375 3.627 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.490 -6.820 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.179 -7.804 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.163 -7.861 3.353 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.049 -5.734 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.019 -5.771 3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.180 -8.238 2.198 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.192 -6.885 1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.670 -8.245 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.106 -6.987 4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.303 -9.606 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.246 -8.424 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.883 -9.295 4.040 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.689 -6.195 6.914 1.00 0.00 N ATOM 1778 CA ASP A 49 -7.128 -5.520 8.126 1.00 0.00 C ATOM 1779 C ASP A 49 -5.822 -4.783 7.807 1.00 0.00 C ATOM 1780 O ASP A 49 -5.784 -3.571 7.720 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.861 -6.561 9.216 1.00 0.00 C ATOM 1782 CG ASP A 49 -6.235 -5.877 10.434 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -5.164 -5.311 10.288 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -6.838 -5.930 11.492 1.00 0.00 O ATOM 0 H ASP A 49 -7.779 -7.209 6.984 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.860 -4.789 8.470 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.792 -7.052 9.500 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.194 -7.336 8.838 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.744 -5.505 7.668 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.432 -4.848 7.397 1.00 0.00 C ATOM 1791 C GLY A 50 -3.422 -4.231 6.000 1.00 0.00 C ATOM 1792 O GLY A 50 -4.318 -4.440 5.207 1.00 0.00 O ATOM 0 H GLY A 50 -4.714 -6.523 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.244 -4.076 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.628 -5.579 7.484 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.398 -3.477 5.692 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.295 -2.844 4.351 1.00 0.00 C ATOM 1798 C ILE A 51 -1.501 -3.753 3.414 1.00 0.00 C ATOM 1799 O ILE A 51 -0.578 -4.431 3.819 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.597 -1.495 4.488 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.285 -0.698 5.607 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.698 -0.735 3.161 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.934 0.790 5.498 1.00 0.00 C ATOM 0 H ILE A 51 -1.622 -3.273 6.322 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.291 -2.695 3.935 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.545 -1.636 4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.365 -0.829 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.974 -1.081 6.579 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.200 0.230 3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.219 -1.315 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.747 -0.579 2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.429 1.340 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.855 0.917 5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.268 1.173 4.534 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.847 -3.753 2.163 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.112 -4.596 1.184 1.00 0.00 C ATOM 1817 C GLN A 52 0.172 -3.876 0.767 1.00 0.00 C ATOM 1818 O GLN A 52 0.220 -2.669 0.704 1.00 0.00 O ATOM 1819 CB GLN A 52 -1.996 -4.828 -0.041 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.270 -5.558 0.388 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.241 -4.561 1.034 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.501 -4.631 2.220 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -4.790 -3.629 0.302 1.00 0.00 N ATOM 0 H GLN A 52 -2.612 -3.203 1.772 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.859 -5.556 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.248 -3.876 -0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.459 -5.416 -0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.739 -6.031 -0.475 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.026 -6.353 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.574 -3.568 -0.693 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.435 -2.962 0.725 1.00 0.00 H new ATOM 1832 N THR A 53 1.218 -4.609 0.488 1.00 0.00 N ATOM 1833 CA THR A 53 2.506 -3.964 0.072 1.00 0.00 C ATOM 1834 C THR A 53 3.073 -4.712 -1.133 1.00 0.00 C ATOM 1835 O THR A 53 2.719 -5.843 -1.404 1.00 0.00 O ATOM 1836 CB THR A 53 3.505 -3.990 1.233 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.833 -3.961 0.727 1.00 0.00 O ATOM 1838 CG2 THR A 53 3.292 -5.254 2.054 1.00 0.00 C ATOM 0 H THR A 53 1.239 -5.628 0.529 1.00 0.00 H new ATOM 0 HA THR A 53 2.324 -2.925 -0.201 1.00 0.00 H new ATOM 0 HB THR A 53 3.348 -3.116 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.468 -3.976 1.473 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.002 -5.275 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.276 -5.265 2.448 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.446 -6.129 1.422 1.00 0.00 H new ATOM 1846 N ARG A 54 3.936 -4.072 -1.870 1.00 0.00 N ATOM 1847 CA ARG A 54 4.523 -4.719 -3.086 1.00 0.00 C ATOM 1848 C ARG A 54 5.930 -4.171 -3.338 1.00 0.00 C ATOM 1849 O ARG A 54 6.319 -3.152 -2.804 1.00 0.00 O ATOM 1850 CB ARG A 54 3.618 -4.431 -4.303 1.00 0.00 C ATOM 1851 CG ARG A 54 3.763 -5.553 -5.359 1.00 0.00 C ATOM 1852 CD ARG A 54 2.818 -6.726 -5.029 1.00 0.00 C ATOM 1853 NE ARG A 54 3.469 -8.021 -5.411 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.978 -8.205 -6.602 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.777 -7.334 -7.553 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.651 -9.296 -6.854 1.00 0.00 N ATOM 0 H ARG A 54 4.264 -3.124 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 54 4.588 -5.796 -2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.579 -4.356 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.885 -3.471 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.534 -5.161 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.794 -5.905 -5.386 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.581 -6.727 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.876 -6.609 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 54 3.516 -8.776 -4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.218 -6.500 -7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.178 -7.487 -8.478 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.777 -9.998 -6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.051 -9.446 -7.780 1.00 0.00 H new ATOM 1870 N ASN A 55 6.696 -4.850 -4.145 1.00 0.00 N ATOM 1871 CA ASN A 55 8.079 -4.379 -4.430 1.00 0.00 C ATOM 1872 C ASN A 55 8.028 -2.979 -5.044 1.00 0.00 C ATOM 1873 O ASN A 55 7.201 -2.683 -5.885 1.00 0.00 O ATOM 1874 CB ASN A 55 8.759 -5.336 -5.411 1.00 0.00 C ATOM 1875 CG ASN A 55 10.228 -4.940 -5.571 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.611 -4.376 -6.576 1.00 0.00 O ATOM 1877 ND2 ASN A 55 11.074 -5.215 -4.616 1.00 0.00 N ATOM 0 H ASN A 55 6.424 -5.711 -4.620 1.00 0.00 H new ATOM 0 HA ASN A 55 8.645 -4.350 -3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.685 -6.361 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.255 -5.303 -6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 55 12.056 -4.956 -4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.753 -5.689 -3.771 1.00 0.00 H new ATOM 1884 N ARG A 56 8.912 -2.119 -4.627 1.00 0.00 N ATOM 1885 CA ARG A 56 8.936 -0.732 -5.173 1.00 0.00 C ATOM 1886 C ARG A 56 9.277 -0.764 -6.662 1.00 0.00 C ATOM 1887 O ARG A 56 10.205 -1.425 -7.083 1.00 0.00 O ATOM 1888 CB ARG A 56 10.004 0.080 -4.433 1.00 0.00 C ATOM 1889 CG ARG A 56 9.474 0.501 -3.060 1.00 0.00 C ATOM 1890 CD ARG A 56 10.591 1.177 -2.269 1.00 0.00 C ATOM 1891 NE ARG A 56 11.204 2.249 -3.102 1.00 0.00 N ATOM 1892 CZ ARG A 56 12.007 3.123 -2.560 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.302 3.041 -1.292 1.00 0.00 N ATOM 1894 NH2 ARG A 56 12.522 4.075 -3.289 1.00 0.00 N ATOM 0 H ARG A 56 9.625 -2.317 -3.926 1.00 0.00 H new ATOM 0 HA ARG A 56 7.956 -0.275 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.910 -0.514 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.273 0.961 -5.015 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.632 1.183 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.105 -0.370 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.194 1.600 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.346 0.444 -1.985 1.00 0.00 H new ATOM 0 HE ARG A 56 10.995 2.300 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.905 2.293 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.930 3.725 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.297 4.136 -4.282 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.150 4.759 -2.866 1.00 0.00 H new ATOM 1908 N LYS A 57 8.530 -0.059 -7.463 1.00 0.00 N ATOM 1909 CA LYS A 57 8.808 -0.054 -8.921 1.00 0.00 C ATOM 1910 C LYS A 57 10.130 0.660 -9.209 1.00 0.00 C ATOM 1911 O LYS A 57 10.875 1.002 -8.312 1.00 0.00 O ATOM 1912 CB LYS A 57 7.679 0.643 -9.651 1.00 0.00 C ATOM 1913 CG LYS A 57 7.491 2.027 -9.075 1.00 0.00 C ATOM 1914 CD LYS A 57 6.299 2.667 -9.773 1.00 0.00 C ATOM 1915 CE LYS A 57 6.163 4.137 -9.365 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.888 4.986 -10.352 1.00 0.00 N ATOM 0 H LYS A 57 7.739 0.514 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 57 8.885 -1.084 -9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.904 0.707 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.758 0.068 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.319 1.973 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.388 2.628 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.421 2.593 -10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.387 2.127 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.111 4.421 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.572 4.289 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.800 5.986 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.893 4.719 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.478 4.846 -11.298 1.00 0.00 H new ATOM 1930 N VAL A 58 10.427 0.874 -10.460 1.00 0.00 N ATOM 1931 CA VAL A 58 11.701 1.552 -10.833 1.00 0.00 C ATOM 1932 C VAL A 58 11.826 2.880 -10.082 1.00 0.00 C ATOM 1933 O VAL A 58 10.854 3.574 -9.863 1.00 0.00 O ATOM 1934 CB VAL A 58 11.688 1.825 -12.339 1.00 0.00 C ATOM 1935 CG1 VAL A 58 10.563 2.806 -12.669 1.00 0.00 C ATOM 1936 CG2 VAL A 58 13.028 2.428 -12.770 1.00 0.00 C ATOM 0 H VAL A 58 9.837 0.606 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 58 12.545 0.914 -10.571 1.00 0.00 H new ATOM 0 HB VAL A 58 11.527 0.888 -12.871 1.00 0.00 H new ATOM 0 HG11 VAL A 58 10.553 3.001 -13.741 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.607 2.377 -12.369 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.726 3.740 -12.132 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.012 2.620 -13.843 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.194 3.364 -12.236 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.832 1.730 -12.538 1.00 0.00 H new