USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 152:sc= 0.462 USER MOD Set 1.2: A 10 CYS SG : rot -53:sc= -0.894 USER MOD Set 1.3: A 28 CYS SG : rot -123:sc= 0.67 USER MOD Set 1.4: A 31 CYS SG : rot 148:sc= -3.35! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 75:sc= 1.01 USER MOD Single : A 9 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) USER MOD Single : A 11 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.5!) 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 70:sc= 0.397 USER MOD Single : A 15 THR OG1 : rot -131:sc= 0.499 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0644 USER MOD Single : A 21 SER OG : rot -140:sc= -0.758 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.1) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.975 K(o=-0.98,f=-0.12) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 41 ASN : amide:sc= -1.61 K(o=-1.6,f=-6.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0266 (180deg=-0.301) USER MOD Single : A 52 GLN : amide:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 55 ASN : amide:sc= -0.983 K(o=-0.98,f=-7.6!) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= -0.22 (180deg=-0.776) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.244 10.140 14.782 1.00 0.00 N ATOM 1069 CA ALA A 3 -6.884 9.430 15.926 1.00 0.00 C ATOM 1070 C ALA A 3 -8.398 9.283 15.707 1.00 0.00 C ATOM 1071 O ALA A 3 -9.133 10.251 15.723 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.643 10.241 17.201 1.00 0.00 C ATOM 0 HA ALA A 3 -6.448 8.434 16.010 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.106 9.734 18.048 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.571 10.334 17.376 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.080 11.233 17.089 1.00 0.00 H new ATOM 1078 N GLY A 4 -8.874 8.071 15.547 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.348 7.848 15.377 1.00 0.00 C ATOM 1080 C GLY A 4 -10.773 7.953 13.905 1.00 0.00 C ATOM 1081 O GLY A 4 -11.917 7.717 13.569 1.00 0.00 O ATOM 0 H GLY A 4 -8.305 7.224 15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.614 6.864 15.763 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.897 8.581 15.967 1.00 0.00 H new ATOM 1085 N THR A 5 -9.886 8.330 13.030 1.00 0.00 N ATOM 1086 CA THR A 5 -10.272 8.474 11.594 1.00 0.00 C ATOM 1087 C THR A 5 -10.569 7.110 10.972 1.00 0.00 C ATOM 1088 O THR A 5 -9.707 6.260 10.867 1.00 0.00 O ATOM 1089 CB THR A 5 -9.129 9.118 10.820 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.681 10.273 11.514 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.602 9.514 9.414 1.00 0.00 C ATOM 0 H THR A 5 -8.912 8.545 13.243 1.00 0.00 H new ATOM 0 HA THR A 5 -11.166 9.095 11.543 1.00 0.00 H new ATOM 0 HB THR A 5 -8.311 8.404 10.731 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.944 10.687 11.018 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.778 9.974 8.869 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.940 8.626 8.880 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.425 10.224 9.494 1.00 0.00 H new ATOM 1099 N VAL A 6 -11.782 6.921 10.521 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.175 5.644 9.850 1.00 0.00 C ATOM 1101 C VAL A 6 -12.668 5.994 8.450 1.00 0.00 C ATOM 1102 O VAL A 6 -13.306 7.008 8.250 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.293 4.950 10.623 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -12.752 4.434 11.957 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.429 5.942 10.875 1.00 0.00 C ATOM 0 H VAL A 6 -12.531 7.610 10.590 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.322 4.967 9.810 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.670 4.109 10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.552 3.939 12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.945 3.724 11.773 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.372 5.270 12.544 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.228 5.447 11.427 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.054 6.785 11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.816 6.302 9.922 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.383 5.183 7.475 1.00 0.00 N ATOM 1116 CA CYS A 7 -12.841 5.496 6.096 1.00 0.00 C ATOM 1117 C CYS A 7 -14.357 5.595 6.046 1.00 0.00 C ATOM 1118 O CYS A 7 -15.067 4.654 6.339 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.382 4.384 5.169 1.00 0.00 C ATOM 1120 SG CYS A 7 -12.744 4.838 3.459 1.00 0.00 S ATOM 0 H CYS A 7 -11.853 4.317 7.572 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.419 6.452 5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.313 4.211 5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -12.887 3.452 5.424 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.896 4.254 2.666 1.00 0.00 H new ATOM 1125 N SER A 8 -14.854 6.736 5.675 1.00 0.00 N ATOM 1126 CA SER A 8 -16.321 6.918 5.597 1.00 0.00 C ATOM 1127 C SER A 8 -16.919 5.943 4.583 1.00 0.00 C ATOM 1128 O SER A 8 -17.985 5.398 4.795 1.00 0.00 O ATOM 1129 CB SER A 8 -16.621 8.344 5.144 1.00 0.00 C ATOM 1130 OG SER A 8 -16.094 9.259 6.096 1.00 0.00 O ATOM 0 H SER A 8 -14.302 7.555 5.421 1.00 0.00 H new ATOM 0 HA SER A 8 -16.757 6.730 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.181 8.527 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.697 8.487 5.042 1.00 0.00 H new ATOM 0 HG SER A 8 -15.120 9.310 5.996 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.265 5.730 3.466 1.00 0.00 N ATOM 1137 CA ASN A 9 -16.849 4.810 2.452 1.00 0.00 C ATOM 1138 C ASN A 9 -16.653 3.343 2.840 1.00 0.00 C ATOM 1139 O ASN A 9 -17.530 2.539 2.585 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.196 5.066 1.092 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.661 6.421 0.553 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.676 6.939 0.976 1.00 0.00 O ATOM 1143 ND2 ASN A 9 -15.961 7.021 -0.370 1.00 0.00 N ATOM 0 H ASN A 9 -15.368 6.147 3.219 1.00 0.00 H new ATOM 0 HA ASN A 9 -17.920 5.006 2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.110 5.054 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.462 4.273 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.266 7.923 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.109 6.588 -0.726 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.520 2.950 3.413 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.337 1.490 3.747 1.00 0.00 C ATOM 1152 C CYS A 10 -14.850 1.257 5.190 1.00 0.00 C ATOM 1153 O CYS A 10 -14.461 0.159 5.532 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.383 0.832 2.735 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.656 1.160 3.165 1.00 0.00 S ATOM 0 H CYS A 10 -14.739 3.560 3.656 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.319 1.022 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.558 -0.244 2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.591 1.211 1.734 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.481 2.440 3.313 1.00 0.00 H new ATOM 1160 N GLN A 11 -14.919 2.241 6.051 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.533 2.044 7.492 1.00 0.00 C ATOM 1162 C GLN A 11 -13.099 1.532 7.704 1.00 0.00 C ATOM 1163 O GLN A 11 -12.689 1.344 8.834 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.502 1.048 8.135 1.00 0.00 C ATOM 1165 CG GLN A 11 -16.891 1.676 8.230 1.00 0.00 C ATOM 1166 CD GLN A 11 -17.896 0.610 8.666 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -17.743 -0.552 8.350 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -18.924 0.960 9.390 1.00 0.00 N ATOM 0 H GLN A 11 -15.229 3.185 5.819 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.583 3.030 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -15.545 0.133 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.148 0.770 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -16.883 2.499 8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -17.181 2.094 7.266 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.052 1.937 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.599 0.257 9.691 1.00 0.00 H new ATOM 1177 N THR A 12 -12.319 1.302 6.689 1.00 0.00 N ATOM 1178 CA THR A 12 -10.937 0.807 6.968 1.00 0.00 C ATOM 1179 C THR A 12 -10.216 1.852 7.834 1.00 0.00 C ATOM 1180 O THR A 12 -10.585 3.008 7.822 1.00 0.00 O ATOM 1181 CB THR A 12 -10.175 0.582 5.646 1.00 0.00 C ATOM 1182 OG1 THR A 12 -8.974 -0.124 5.915 1.00 0.00 O ATOM 1183 CG2 THR A 12 -9.832 1.906 4.948 1.00 0.00 C ATOM 0 H THR A 12 -12.563 1.429 5.707 1.00 0.00 H new ATOM 0 HA THR A 12 -10.979 -0.145 7.497 1.00 0.00 H new ATOM 0 HB THR A 12 -10.821 0.009 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.487 -0.271 5.078 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.296 1.701 4.021 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.751 2.448 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.205 2.511 5.603 1.00 0.00 H new ATOM 1191 N SER A 13 -9.189 1.480 8.572 1.00 0.00 N ATOM 1192 CA SER A 13 -8.451 2.496 9.410 1.00 0.00 C ATOM 1193 C SER A 13 -6.946 2.322 9.178 1.00 0.00 C ATOM 1194 O SER A 13 -6.125 2.900 9.864 1.00 0.00 O ATOM 1195 CB SER A 13 -8.774 2.287 10.890 1.00 0.00 C ATOM 1196 OG SER A 13 -8.432 0.957 11.260 1.00 0.00 O ATOM 0 H SER A 13 -8.831 0.527 8.632 1.00 0.00 H new ATOM 0 HA SER A 13 -8.758 3.502 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.220 3.001 11.500 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.833 2.467 11.072 1.00 0.00 H new ATOM 0 HG SER A 13 -8.636 0.819 12.209 1.00 0.00 H new ATOM 1202 N THR A 14 -6.587 1.518 8.208 1.00 0.00 N ATOM 1203 CA THR A 14 -5.144 1.270 7.892 1.00 0.00 C ATOM 1204 C THR A 14 -4.829 1.829 6.513 1.00 0.00 C ATOM 1205 O THR A 14 -4.347 1.144 5.647 1.00 0.00 O ATOM 1206 CB THR A 14 -4.892 -0.231 7.887 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.687 -0.841 6.881 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.265 -0.791 9.252 1.00 0.00 C ATOM 0 H THR A 14 -7.243 1.014 7.611 1.00 0.00 H new ATOM 0 HA THR A 14 -4.513 1.754 8.638 1.00 0.00 H new ATOM 0 HB THR A 14 -3.842 -0.435 7.679 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.342 -0.594 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.090 -1.867 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.655 -0.315 10.020 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.318 -0.593 9.451 1.00 0.00 H new ATOM 1216 N THR A 15 -5.179 3.044 6.285 1.00 0.00 N ATOM 1217 CA THR A 15 -4.969 3.642 4.936 1.00 0.00 C ATOM 1218 C THR A 15 -3.515 4.065 4.741 1.00 0.00 C ATOM 1219 O THR A 15 -2.842 4.459 5.673 1.00 0.00 O ATOM 1220 CB THR A 15 -5.850 4.880 4.822 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.194 5.982 5.434 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.154 4.614 5.553 1.00 0.00 C ATOM 0 H THR A 15 -5.606 3.665 6.972 1.00 0.00 H new ATOM 0 HA THR A 15 -5.221 2.900 4.178 1.00 0.00 H new ATOM 0 HB THR A 15 -6.042 5.105 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.813 6.433 6.045 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.797 5.491 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.656 3.758 5.102 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.946 4.401 6.602 1.00 0.00 H new ATOM 1230 N THR A 16 -3.034 4.026 3.524 1.00 0.00 N ATOM 1231 CA THR A 16 -1.640 4.475 3.277 1.00 0.00 C ATOM 1232 C THR A 16 -1.636 6.001 3.361 1.00 0.00 C ATOM 1233 O THR A 16 -0.731 6.606 3.901 1.00 0.00 O ATOM 1234 CB THR A 16 -1.162 4.040 1.888 1.00 0.00 C ATOM 1235 OG1 THR A 16 -1.868 4.766 0.893 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.394 2.547 1.693 1.00 0.00 C ATOM 0 H THR A 16 -3.544 3.705 2.701 1.00 0.00 H new ATOM 0 HA THR A 16 -0.970 4.032 4.013 1.00 0.00 H new ATOM 0 HB THR A 16 -0.095 4.245 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.560 4.488 0.005 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.050 2.252 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.841 1.991 2.450 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.458 2.329 1.788 1.00 0.00 H new ATOM 1244 N LEU A 17 -2.672 6.627 2.843 1.00 0.00 N ATOM 1245 CA LEU A 17 -2.770 8.121 2.906 1.00 0.00 C ATOM 1246 C LEU A 17 -4.240 8.507 3.114 1.00 0.00 C ATOM 1247 O LEU A 17 -5.119 8.011 2.434 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.239 8.761 1.602 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.614 10.136 1.895 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.363 9.984 2.799 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.244 10.822 0.559 1.00 0.00 C ATOM 0 H LEU A 17 -3.454 6.164 2.379 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.163 8.487 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.497 8.107 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.053 8.870 0.885 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.336 10.755 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.066 10.967 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.650 9.518 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.376 9.360 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.801 11.797 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.528 10.203 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.142 10.950 -0.045 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.519 9.384 4.041 1.00 0.00 N ATOM 1264 CA TRP A 18 -5.930 9.793 4.277 1.00 0.00 C ATOM 1265 C TRP A 18 -6.360 10.810 3.219 1.00 0.00 C ATOM 1266 O TRP A 18 -5.709 11.810 2.991 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.039 10.420 5.678 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.159 9.326 6.694 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.252 9.039 7.655 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.233 8.356 6.843 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.706 7.952 8.383 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -6.923 7.500 7.922 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.436 8.141 6.151 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.776 6.465 8.304 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.296 7.101 6.531 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -8.967 6.264 7.605 1.00 0.00 C ATOM 0 H TRP A 18 -3.830 9.834 4.644 1.00 0.00 H new ATOM 0 HA TRP A 18 -6.581 8.922 4.211 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.161 11.032 5.886 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -6.906 11.078 5.729 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.327 9.570 7.826 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.201 7.536 9.166 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.700 8.780 5.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.517 5.824 9.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.219 6.944 5.992 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.634 5.464 7.892 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.460 10.544 2.574 1.00 0.00 N ATOM 1288 CA ARG A 19 -7.987 11.453 1.512 1.00 0.00 C ATOM 1289 C ARG A 19 -9.361 11.992 1.918 1.00 0.00 C ATOM 1290 O ARG A 19 -10.224 11.239 2.307 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.151 10.631 0.218 1.00 0.00 C ATOM 1292 CG ARG A 19 -6.804 10.521 -0.531 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.531 11.811 -1.316 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.622 11.520 -2.479 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.422 11.019 -2.323 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.906 10.866 -1.135 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.715 10.711 -3.376 1.00 0.00 N ATOM 0 H ARG A 19 -8.031 9.716 2.741 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.300 12.286 1.368 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.522 9.635 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.894 11.101 -0.426 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.997 10.341 0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -6.826 9.670 -1.211 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.469 12.235 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.074 12.555 -0.663 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.952 11.720 -3.423 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.439 11.138 -0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.970 10.474 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.098 10.861 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.779 10.320 -3.266 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.596 13.272 1.826 1.00 0.00 N ATOM 1312 CA ARG A 20 -10.947 13.789 2.189 1.00 0.00 C ATOM 1313 C ARG A 20 -11.849 13.632 0.960 1.00 0.00 C ATOM 1314 O ARG A 20 -11.406 13.777 -0.163 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.860 15.270 2.578 1.00 0.00 C ATOM 1316 CG ARG A 20 -9.996 15.431 3.839 1.00 0.00 C ATOM 1317 CD ARG A 20 -10.684 14.772 5.048 1.00 0.00 C ATOM 1318 NE ARG A 20 -10.288 15.484 6.308 1.00 0.00 N ATOM 1319 CZ ARG A 20 -9.034 15.698 6.610 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -8.078 15.152 5.910 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -8.737 16.422 7.655 1.00 0.00 N ATOM 0 H ARG A 20 -8.922 13.974 1.520 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.348 13.235 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.432 15.846 1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.859 15.667 2.758 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.018 14.978 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.828 16.489 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.767 14.806 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.403 13.721 5.110 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.015 15.809 6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.305 14.551 5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.103 15.326 6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.481 16.817 8.230 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.761 16.593 7.896 1.00 0.00 H new ATOM 1335 N SER A 21 -13.110 13.344 1.154 1.00 0.00 N ATOM 1336 CA SER A 21 -14.033 13.187 -0.017 1.00 0.00 C ATOM 1337 C SER A 21 -14.672 14.553 -0.327 1.00 0.00 C ATOM 1338 O SER A 21 -14.792 15.380 0.547 1.00 0.00 O ATOM 1339 CB SER A 21 -15.113 12.155 0.327 1.00 0.00 C ATOM 1340 OG SER A 21 -14.584 10.847 0.159 1.00 0.00 O ATOM 0 H SER A 21 -13.542 13.211 2.068 1.00 0.00 H new ATOM 0 HA SER A 21 -13.484 12.840 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.451 12.294 1.354 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.982 12.293 -0.316 1.00 0.00 H new ATOM 0 HG SER A 21 -15.264 10.269 -0.246 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.065 14.808 -1.559 1.00 0.00 N ATOM 1347 CA PRO A 22 -15.684 16.121 -1.917 1.00 0.00 C ATOM 1348 C PRO A 22 -16.747 16.612 -0.910 1.00 0.00 C ATOM 1349 O PRO A 22 -17.074 17.783 -0.874 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.327 15.806 -3.281 1.00 0.00 C ATOM 1351 CG PRO A 22 -15.698 14.508 -3.823 1.00 0.00 C ATOM 1352 CD PRO A 22 -14.916 13.835 -2.682 1.00 0.00 C ATOM 0 HA PRO A 22 -14.953 16.929 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.406 15.690 -3.175 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.162 16.628 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.472 13.839 -4.198 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.035 14.728 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.330 12.859 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.870 13.679 -2.946 1.00 0.00 H new ATOM 1360 N MET A 23 -17.298 15.737 -0.105 1.00 0.00 N ATOM 1361 CA MET A 23 -18.349 16.170 0.875 1.00 0.00 C ATOM 1362 C MET A 23 -17.724 16.459 2.244 1.00 0.00 C ATOM 1363 O MET A 23 -18.358 17.011 3.120 1.00 0.00 O ATOM 1364 CB MET A 23 -19.380 15.054 1.039 1.00 0.00 C ATOM 1365 CG MET A 23 -20.154 14.865 -0.266 1.00 0.00 C ATOM 1366 SD MET A 23 -21.367 13.540 -0.050 1.00 0.00 S ATOM 1367 CE MET A 23 -22.080 13.607 -1.710 1.00 0.00 C ATOM 0 H MET A 23 -17.068 14.744 -0.082 1.00 0.00 H new ATOM 0 HA MET A 23 -18.822 17.076 0.496 1.00 0.00 H new ATOM 0 HB2 MET A 23 -18.882 14.124 1.314 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.068 15.299 1.848 1.00 0.00 H new ATOM 0 HG2 MET A 23 -20.656 15.792 -0.543 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.469 14.619 -1.077 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.866 12.857 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.502 14.597 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.303 13.408 -2.448 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.490 16.087 2.437 1.00 0.00 N ATOM 1378 CA GLY A 24 -15.820 16.330 3.752 1.00 0.00 C ATOM 1379 C GLY A 24 -15.907 15.066 4.614 1.00 0.00 C ATOM 1380 O GLY A 24 -15.877 15.130 5.827 1.00 0.00 O ATOM 0 H GLY A 24 -15.910 15.622 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.777 16.604 3.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.296 17.166 4.265 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.012 13.914 3.998 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.096 12.633 4.764 1.00 0.00 C ATOM 1386 C ASP A 25 -14.748 11.882 4.649 1.00 0.00 C ATOM 1387 O ASP A 25 -14.379 11.476 3.565 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.181 11.763 4.123 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.500 12.537 4.084 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.451 13.755 4.128 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.538 11.899 4.008 1.00 0.00 O ATOM 0 H ASP A 25 -16.043 13.806 2.984 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.324 12.838 5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.884 11.478 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.305 10.841 4.691 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.003 11.688 5.725 1.00 0.00 N ATOM 1397 CA PRO A 26 -12.696 10.965 5.625 1.00 0.00 C ATOM 1398 C PRO A 26 -12.792 9.636 4.849 1.00 0.00 C ATOM 1399 O PRO A 26 -13.609 8.791 5.154 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.356 10.725 7.108 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.158 11.742 7.931 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.378 12.157 7.096 1.00 0.00 C ATOM 0 HA PRO A 26 -11.944 11.528 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.612 9.707 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.287 10.848 7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.473 11.304 8.878 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.544 12.610 8.170 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.293 11.684 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.544 13.234 7.126 1.00 0.00 H new ATOM 1410 N VAL A 27 -11.933 9.443 3.869 1.00 0.00 N ATOM 1411 CA VAL A 27 -11.936 8.152 3.092 1.00 0.00 C ATOM 1412 C VAL A 27 -10.504 7.638 2.949 1.00 0.00 C ATOM 1413 O VAL A 27 -9.554 8.388 3.055 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.564 8.330 1.701 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.088 8.392 1.834 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.040 9.612 1.044 1.00 0.00 C ATOM 0 H VAL A 27 -11.231 10.121 3.573 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.539 7.429 3.641 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.291 7.482 1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.534 8.518 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.452 7.467 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.364 9.235 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.492 9.727 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.298 10.470 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.957 9.551 0.941 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.334 6.361 2.700 1.00 0.00 N ATOM 1427 CA CYS A 28 -8.961 5.811 2.543 1.00 0.00 C ATOM 1428 C CYS A 28 -8.483 6.059 1.110 1.00 0.00 C ATOM 1429 O CYS A 28 -9.270 6.237 0.202 1.00 0.00 O ATOM 1430 CB CYS A 28 -8.937 4.313 2.924 1.00 0.00 C ATOM 1431 SG CYS A 28 -9.775 3.263 1.701 1.00 0.00 S ATOM 0 H CYS A 28 -11.088 5.682 2.600 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.272 6.317 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -7.903 3.986 3.029 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.413 4.182 3.896 1.00 0.00 H new ATOM 0 HG CYS A 28 -10.726 2.593 2.283 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.198 6.127 0.916 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.653 6.431 -0.439 1.00 0.00 C ATOM 1438 C ASN A 29 -7.288 5.542 -1.511 1.00 0.00 C ATOM 1439 O ASN A 29 -7.594 6.002 -2.591 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.141 6.206 -0.432 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.569 6.556 -1.806 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.543 5.727 -2.693 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -4.094 7.753 -2.015 1.00 0.00 N ATOM 0 H ASN A 29 -6.495 5.984 1.641 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.886 7.469 -0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.674 6.822 0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.918 5.168 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.700 7.994 -2.925 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.117 8.448 -1.269 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.485 4.288 -1.251 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.093 3.425 -2.302 1.00 0.00 C ATOM 1452 C ALA A 30 -9.528 3.898 -2.620 1.00 0.00 C ATOM 1453 O ALA A 30 -9.874 4.098 -3.768 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.098 1.979 -1.828 1.00 0.00 C ATOM 0 H ALA A 30 -7.257 3.823 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.502 3.498 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.543 1.346 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.075 1.655 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.680 1.899 -0.910 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.372 4.074 -1.625 1.00 0.00 N ATOM 1461 CA CYS A 31 -11.780 4.524 -1.913 1.00 0.00 C ATOM 1462 C CYS A 31 -11.760 5.844 -2.675 1.00 0.00 C ATOM 1463 O CYS A 31 -12.491 6.040 -3.608 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.558 4.779 -0.612 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.107 3.231 0.120 1.00 0.00 S ATOM 0 H CYS A 31 -10.153 3.928 -0.640 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.257 3.734 -2.493 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.926 5.317 0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.419 5.415 -0.817 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.131 3.348 1.415 1.00 0.00 H new ATOM 1470 N GLY A 32 -10.947 6.758 -2.267 1.00 0.00 N ATOM 1471 CA GLY A 32 -10.935 8.066 -2.963 1.00 0.00 C ATOM 1472 C GLY A 32 -10.674 7.862 -4.452 1.00 0.00 C ATOM 1473 O GLY A 32 -11.375 8.387 -5.294 1.00 0.00 O ATOM 0 H GLY A 32 -10.294 6.664 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.889 8.573 -2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.165 8.708 -2.535 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.663 7.116 -4.785 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.346 6.891 -6.219 1.00 0.00 C ATOM 1479 C LEU A 33 -10.443 6.052 -6.888 1.00 0.00 C ATOM 1480 O LEU A 33 -10.961 6.420 -7.920 1.00 0.00 O ATOM 1481 CB LEU A 33 -7.999 6.173 -6.311 1.00 0.00 C ATOM 1482 CG LEU A 33 -6.928 6.996 -5.577 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.623 6.198 -5.515 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.685 8.329 -6.307 1.00 0.00 C ATOM 0 H LEU A 33 -9.040 6.651 -4.124 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.294 7.848 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.074 5.179 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.717 6.039 -7.355 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.276 7.207 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.864 6.782 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.793 5.264 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.282 5.979 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.924 8.901 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.346 8.130 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.613 8.901 -6.339 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.815 4.932 -6.323 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.884 4.112 -6.970 1.00 0.00 C ATOM 1498 C TYR A 34 -13.163 4.936 -7.067 1.00 0.00 C ATOM 1499 O TYR A 34 -13.829 4.962 -8.083 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.175 2.862 -6.131 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.260 2.052 -6.801 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -14.603 2.409 -6.629 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -12.926 0.950 -7.597 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -15.611 1.665 -7.252 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -13.936 0.204 -8.219 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.278 0.563 -8.049 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.273 -0.169 -8.665 1.00 0.00 O ATOM 0 H TYR A 34 -10.433 4.554 -5.456 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.545 3.815 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.271 2.263 -6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.487 3.149 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.861 3.259 -6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.890 0.675 -7.732 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -16.647 1.941 -7.118 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.679 -0.649 -8.830 1.00 0.00 H new ATOM 0 HH TYR A 34 -15.871 -0.899 -9.181 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.516 5.593 -6.003 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.756 6.411 -5.986 1.00 0.00 C ATOM 1519 C TYR A 35 -14.673 7.535 -7.022 1.00 0.00 C ATOM 1520 O TYR A 35 -15.592 7.778 -7.756 1.00 0.00 O ATOM 1521 CB TYR A 35 -14.928 7.023 -4.593 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.347 7.490 -4.421 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.721 8.766 -4.849 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.288 6.639 -3.834 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.043 9.194 -4.687 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.607 7.061 -3.671 1.00 0.00 C ATOM 1527 CZ TYR A 35 -18.989 8.342 -4.096 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.292 8.765 -3.935 1.00 0.00 O ATOM 0 H TYR A 35 -12.989 5.598 -5.130 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.606 5.773 -6.228 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.681 6.287 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.241 7.859 -4.464 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -15.992 9.420 -5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -16.993 5.653 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.336 10.180 -5.017 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.333 6.402 -3.218 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.817 8.054 -3.511 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.594 8.243 -7.077 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.511 9.364 -8.055 1.00 0.00 C ATOM 1540 C LYS A 36 -13.677 8.844 -9.485 1.00 0.00 C ATOM 1541 O LYS A 36 -14.343 9.455 -10.296 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.138 10.027 -7.907 1.00 0.00 C ATOM 1543 CG LYS A 36 -11.978 11.157 -8.926 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.668 11.913 -8.659 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.463 11.077 -9.117 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.243 11.933 -9.140 1.00 0.00 N ATOM 0 H LYS A 36 -12.768 8.103 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.308 10.081 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.024 10.421 -6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.352 9.286 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.975 10.750 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.824 11.841 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.678 12.867 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.580 12.137 -7.596 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.315 10.233 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.649 10.664 -10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.428 11.367 -9.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.386 12.724 -9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.063 12.306 -8.186 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.080 7.740 -9.810 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.211 7.215 -11.198 1.00 0.00 C ATOM 1562 C LEU A 37 -14.637 6.698 -11.476 1.00 0.00 C ATOM 1563 O LEU A 37 -15.149 6.877 -12.564 1.00 0.00 O ATOM 1564 CB LEU A 37 -12.183 6.085 -11.402 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.858 6.658 -11.923 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.274 7.639 -10.904 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.871 5.513 -12.150 1.00 0.00 C ATOM 0 H LEU A 37 -12.508 7.177 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.019 8.027 -11.900 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.016 5.562 -10.460 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.573 5.352 -12.109 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.037 7.185 -12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.334 8.040 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.977 8.455 -10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.094 7.121 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.927 5.914 -12.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.699 4.989 -11.210 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.282 4.818 -12.882 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.269 6.028 -10.532 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.646 5.466 -10.792 1.00 0.00 C ATOM 1581 C HIS A 38 -17.698 6.034 -9.822 1.00 0.00 C ATOM 1582 O HIS A 38 -18.817 5.568 -9.795 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.585 3.946 -10.631 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.532 3.392 -11.554 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.846 2.767 -12.751 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -14.161 3.374 -11.469 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.687 2.403 -13.333 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.630 2.749 -12.592 1.00 0.00 N ATOM 0 H HIS A 38 -14.896 5.846 -9.600 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.945 5.747 -11.802 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.353 3.687 -9.598 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.555 3.505 -10.860 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.583 3.783 -10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.620 1.894 -14.283 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.645 2.589 -12.805 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.369 7.026 -9.036 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.344 7.637 -8.067 1.00 0.00 C ATOM 1598 C GLN A 39 -19.354 6.631 -7.490 1.00 0.00 C ATOM 1599 O GLN A 39 -20.513 6.940 -7.293 1.00 0.00 O ATOM 1600 CB GLN A 39 -19.034 8.845 -8.713 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.982 8.397 -9.836 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.747 9.612 -10.370 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -20.632 10.699 -9.839 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.531 9.473 -11.406 1.00 0.00 N ATOM 0 H GLN A 39 -16.443 7.453 -9.021 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.771 7.978 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.593 9.397 -7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.284 9.526 -9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.415 7.928 -10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.681 7.649 -9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.629 8.561 -11.853 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -22.045 10.276 -11.768 1.00 0.00 H new ATOM 1613 N VAL A 40 -18.904 5.449 -7.149 1.00 0.00 N ATOM 1614 CA VAL A 40 -19.798 4.438 -6.514 1.00 0.00 C ATOM 1615 C VAL A 40 -19.014 3.754 -5.389 1.00 0.00 C ATOM 1616 O VAL A 40 -17.799 3.753 -5.382 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.265 3.403 -7.542 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.260 4.065 -8.505 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.062 2.815 -8.322 1.00 0.00 C ATOM 0 H VAL A 40 -17.942 5.140 -7.287 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.686 4.927 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.755 2.580 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.597 3.334 -9.240 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.117 4.437 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.774 4.896 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.420 2.083 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.541 3.617 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.378 2.331 -7.625 1.00 0.00 H new ATOM 1629 N ASN A 41 -19.693 3.200 -4.422 1.00 0.00 N ATOM 1630 CA ASN A 41 -18.977 2.549 -3.277 1.00 0.00 C ATOM 1631 C ASN A 41 -18.594 1.101 -3.630 1.00 0.00 C ATOM 1632 O ASN A 41 -19.418 0.319 -4.062 1.00 0.00 O ATOM 1633 CB ASN A 41 -19.895 2.550 -2.051 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.266 2.000 -2.450 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.445 1.532 -3.556 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -22.250 2.040 -1.593 1.00 0.00 N ATOM 0 H ASN A 41 -20.711 3.168 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.065 3.107 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -19.462 1.941 -1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -19.996 3.562 -1.658 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.168 1.678 -1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -22.101 2.433 -0.664 1.00 0.00 H new ATOM 1643 N ARG A 42 -17.338 0.742 -3.460 1.00 0.00 N ATOM 1644 CA ARG A 42 -16.880 -0.648 -3.797 1.00 0.00 C ATOM 1645 C ARG A 42 -16.958 -1.563 -2.543 1.00 0.00 C ATOM 1646 O ARG A 42 -16.518 -1.168 -1.480 1.00 0.00 O ATOM 1647 CB ARG A 42 -15.421 -0.575 -4.269 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.019 -1.890 -4.950 1.00 0.00 C ATOM 1649 CD ARG A 42 -13.560 -1.810 -5.459 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.478 -2.354 -6.854 1.00 0.00 N ATOM 1651 CZ ARG A 42 -14.030 -3.497 -7.169 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -14.562 -4.247 -6.244 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -14.018 -3.906 -8.408 1.00 0.00 N ATOM 0 H ARG A 42 -16.608 1.357 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 42 -17.521 -1.062 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -15.297 0.256 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -14.766 -0.381 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.121 -2.717 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.691 -2.096 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.215 -0.776 -5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.903 -2.376 -4.799 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.983 -1.823 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.549 -3.943 -5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.991 -5.138 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.578 -3.334 -9.129 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.448 -4.797 -8.655 1.00 0.00 H new ATOM 1667 N PRO A 43 -17.492 -2.778 -2.642 1.00 0.00 N ATOM 1668 CA PRO A 43 -17.571 -3.691 -1.456 1.00 0.00 C ATOM 1669 C PRO A 43 -16.281 -3.720 -0.618 1.00 0.00 C ATOM 1670 O PRO A 43 -15.195 -3.498 -1.113 1.00 0.00 O ATOM 1671 CB PRO A 43 -17.845 -5.051 -2.114 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.417 -4.784 -3.515 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.054 -3.338 -3.910 1.00 0.00 C ATOM 0 HA PRO A 43 -18.329 -3.377 -0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -16.928 -5.636 -2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -18.550 -5.630 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -18.006 -5.491 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.499 -4.920 -3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.326 -3.311 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -18.927 -2.779 -4.246 1.00 0.00 H new ATOM 1681 N LEU A 44 -16.412 -3.987 0.655 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.220 -4.029 1.554 1.00 0.00 C ATOM 1683 C LEU A 44 -14.355 -5.245 1.239 1.00 0.00 C ATOM 1684 O LEU A 44 -13.158 -5.225 1.443 1.00 0.00 O ATOM 1685 CB LEU A 44 -15.678 -4.105 3.015 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.377 -2.784 3.425 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.901 -2.928 3.310 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.022 -2.431 4.876 1.00 0.00 C ATOM 0 H LEU A 44 -17.302 -4.180 1.115 1.00 0.00 H new ATOM 0 HA LEU A 44 -14.634 -3.124 1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -16.362 -4.943 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -14.821 -4.288 3.663 1.00 0.00 H new ATOM 0 HG LEU A 44 -16.035 -1.994 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.378 -1.992 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -18.167 -3.166 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.241 -3.728 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.517 -1.501 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -16.353 -3.232 5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.943 -2.309 4.967 1.00 0.00 H new ATOM 1700 N THR A 45 -14.942 -6.304 0.758 1.00 0.00 N ATOM 1701 CA THR A 45 -14.136 -7.521 0.440 1.00 0.00 C ATOM 1702 C THR A 45 -12.882 -7.115 -0.347 1.00 0.00 C ATOM 1703 O THR A 45 -11.964 -7.891 -0.516 1.00 0.00 O ATOM 1704 CB THR A 45 -14.969 -8.496 -0.402 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.148 -7.963 -1.707 1.00 0.00 O ATOM 1706 CG2 THR A 45 -16.336 -8.723 0.249 1.00 0.00 C ATOM 0 H THR A 45 -15.942 -6.383 0.571 1.00 0.00 H new ATOM 0 HA THR A 45 -13.845 -8.008 1.371 1.00 0.00 H new ATOM 0 HB THR A 45 -14.443 -9.449 -0.464 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.679 -8.587 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 45 -16.917 -9.417 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.199 -9.141 1.246 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.866 -7.773 0.323 1.00 0.00 H new ATOM 1714 N MET A 46 -12.838 -5.897 -0.826 1.00 0.00 N ATOM 1715 CA MET A 46 -11.647 -5.431 -1.597 1.00 0.00 C ATOM 1716 C MET A 46 -10.440 -5.278 -0.655 1.00 0.00 C ATOM 1717 O MET A 46 -9.345 -5.714 -0.952 1.00 0.00 O ATOM 1718 CB MET A 46 -11.987 -4.072 -2.234 1.00 0.00 C ATOM 1719 CG MET A 46 -10.820 -3.545 -3.084 1.00 0.00 C ATOM 1720 SD MET A 46 -10.824 -4.357 -4.703 1.00 0.00 S ATOM 1721 CE MET A 46 -10.016 -3.021 -5.623 1.00 0.00 C ATOM 0 H MET A 46 -13.578 -5.204 -0.715 1.00 0.00 H new ATOM 0 HA MET A 46 -11.394 -6.156 -2.370 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.876 -4.172 -2.856 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.225 -3.351 -1.452 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.907 -2.466 -3.208 1.00 0.00 H new ATOM 0 HG3 MET A 46 -9.874 -3.732 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.913 -3.310 -6.669 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.619 -2.116 -5.555 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.030 -2.832 -5.199 1.00 0.00 H new ATOM 1731 N ARG A 47 -10.635 -4.644 0.467 1.00 0.00 N ATOM 1732 CA ARG A 47 -9.509 -4.433 1.431 1.00 0.00 C ATOM 1733 C ARG A 47 -9.300 -5.660 2.319 1.00 0.00 C ATOM 1734 O ARG A 47 -10.093 -6.580 2.337 1.00 0.00 O ATOM 1735 CB ARG A 47 -9.802 -3.221 2.321 1.00 0.00 C ATOM 1736 CG ARG A 47 -9.812 -1.919 1.478 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.251 -1.445 1.262 1.00 0.00 C ATOM 1738 NE ARG A 47 -11.265 -0.394 0.206 1.00 0.00 N ATOM 1739 CZ ARG A 47 -12.394 -0.004 -0.321 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -13.520 -0.520 0.091 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -12.396 0.903 -1.258 1.00 0.00 N ATOM 0 H ARG A 47 -11.532 -4.258 0.764 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.603 -4.262 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -10.765 -3.349 2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.049 -3.148 3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.237 -1.144 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.330 -2.095 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.883 -2.283 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.660 -1.049 2.192 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.388 0.023 -0.107 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -13.518 -1.228 0.825 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.402 -0.215 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.516 1.307 -1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.278 1.208 -1.670 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.233 -5.653 3.079 1.00 0.00 N ATOM 1756 CA LYS A 48 -7.938 -6.782 4.011 1.00 0.00 C ATOM 1757 C LYS A 48 -7.414 -6.194 5.328 1.00 0.00 C ATOM 1758 O LYS A 48 -7.124 -5.016 5.410 1.00 0.00 O ATOM 1759 CB LYS A 48 -6.883 -7.710 3.398 1.00 0.00 C ATOM 1760 CG LYS A 48 -7.471 -8.412 2.170 1.00 0.00 C ATOM 1761 CD LYS A 48 -6.417 -9.339 1.558 1.00 0.00 C ATOM 1762 CE LYS A 48 -6.998 -10.046 0.329 1.00 0.00 C ATOM 1763 NZ LYS A 48 -8.076 -10.984 0.749 1.00 0.00 N ATOM 0 H LYS A 48 -7.544 -4.901 3.092 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.843 -7.362 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.000 -7.137 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.562 -8.448 4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.354 -8.985 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.792 -7.674 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.535 -8.765 1.275 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.096 -10.075 2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.395 -9.311 -0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.212 -10.591 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.267 -11.659 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.774 -11.502 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.941 -10.447 0.961 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.322 -6.993 6.361 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.845 -6.483 7.688 1.00 0.00 C ATOM 1779 C ASP A 49 -5.710 -5.465 7.519 1.00 0.00 C ATOM 1780 O ASP A 49 -5.936 -4.271 7.473 1.00 0.00 O ATOM 1781 CB ASP A 49 -6.341 -7.664 8.527 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.514 -8.598 7.643 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -6.110 -9.376 6.917 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -4.298 -8.518 7.705 1.00 0.00 O ATOM 0 H ASP A 49 -7.558 -7.985 6.344 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.678 -5.987 8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.736 -7.302 9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.184 -8.204 8.958 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.492 -5.924 7.449 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.344 -4.980 7.310 1.00 0.00 C ATOM 1791 C GLY A 50 -3.366 -4.329 5.928 1.00 0.00 C ATOM 1792 O GLY A 50 -4.283 -4.523 5.155 1.00 0.00 O ATOM 0 H GLY A 50 -4.240 -6.912 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.398 -4.213 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.405 -5.513 7.455 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.354 -3.563 5.604 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.304 -2.910 4.271 1.00 0.00 C ATOM 1798 C ILE A 51 -1.607 -3.845 3.282 1.00 0.00 C ATOM 1799 O ILE A 51 -0.637 -4.503 3.602 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.539 -1.587 4.377 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.165 -0.747 5.513 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.626 -0.826 3.038 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -1.810 0.740 5.355 1.00 0.00 C ATOM 0 H ILE A 51 -1.559 -3.364 6.212 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.315 -2.704 3.920 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.489 -1.776 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.248 -0.869 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.809 -1.110 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.081 0.114 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.189 -1.433 2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.670 -0.621 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.262 1.310 6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.727 0.861 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.189 1.105 4.400 1.00 0.00 H new ATOM 1815 N GLN A 52 -2.101 -3.901 2.081 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.484 -4.782 1.051 1.00 0.00 C ATOM 1817 C GLN A 52 -0.176 -4.143 0.563 1.00 0.00 C ATOM 1818 O GLN A 52 -0.050 -2.938 0.532 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.460 -4.926 -0.122 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.684 -5.728 0.320 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.679 -5.807 -0.840 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -5.099 -6.881 -1.224 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.069 -4.705 -1.424 1.00 0.00 N ATOM 0 H GLN A 52 -2.913 -3.371 1.764 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.270 -5.764 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.767 -3.941 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.969 -5.425 -0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.385 -6.730 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.151 -5.255 1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.716 -3.804 -1.101 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.726 -4.746 -2.203 1.00 0.00 H new ATOM 1832 N THR A 53 0.808 -4.933 0.201 1.00 0.00 N ATOM 1833 CA THR A 53 2.108 -4.343 -0.274 1.00 0.00 C ATOM 1834 C THR A 53 2.666 -5.148 -1.451 1.00 0.00 C ATOM 1835 O THR A 53 2.345 -6.301 -1.649 1.00 0.00 O ATOM 1836 CB THR A 53 3.131 -4.331 0.865 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.443 -4.390 0.323 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.897 -5.528 1.774 1.00 0.00 C ATOM 0 H THR A 53 0.771 -5.952 0.212 1.00 0.00 H new ATOM 0 HA THR A 53 1.919 -3.321 -0.601 1.00 0.00 H new ATOM 0 HB THR A 53 3.020 -3.414 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.099 -4.381 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.626 -5.518 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.891 -5.477 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.006 -6.448 1.200 1.00 0.00 H new ATOM 1846 N ARG A 54 3.512 -4.520 -2.224 1.00 0.00 N ATOM 1847 CA ARG A 54 4.140 -5.184 -3.413 1.00 0.00 C ATOM 1848 C ARG A 54 5.551 -4.622 -3.614 1.00 0.00 C ATOM 1849 O ARG A 54 5.910 -3.608 -3.050 1.00 0.00 O ATOM 1850 CB ARG A 54 3.315 -4.912 -4.690 1.00 0.00 C ATOM 1851 CG ARG A 54 1.879 -5.464 -4.574 1.00 0.00 C ATOM 1852 CD ARG A 54 1.886 -7.000 -4.598 1.00 0.00 C ATOM 1853 NE ARG A 54 0.488 -7.506 -4.706 1.00 0.00 N ATOM 1854 CZ ARG A 54 0.271 -8.752 -5.030 1.00 0.00 C ATOM 1855 NH1 ARG A 54 1.279 -9.548 -5.266 1.00 0.00 N ATOM 1856 NH2 ARG A 54 -0.951 -9.203 -5.122 1.00 0.00 N ATOM 0 H ARG A 54 3.803 -3.553 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 54 4.175 -6.258 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.278 -3.839 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.811 -5.368 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.422 -5.112 -3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.271 -5.085 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.479 -7.358 -5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.354 -7.386 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.297 -6.880 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.234 -9.196 -5.197 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.111 -10.522 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.739 -8.581 -4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.117 -10.177 -5.375 1.00 0.00 H new ATOM 1870 N ASN A 55 6.357 -5.275 -4.413 1.00 0.00 N ATOM 1871 CA ASN A 55 7.743 -4.767 -4.638 1.00 0.00 C ATOM 1872 C ASN A 55 7.673 -3.281 -4.995 1.00 0.00 C ATOM 1873 O ASN A 55 6.802 -2.838 -5.716 1.00 0.00 O ATOM 1874 CB ASN A 55 8.421 -5.548 -5.766 1.00 0.00 C ATOM 1875 CG ASN A 55 9.883 -5.108 -5.888 1.00 0.00 C ATOM 1876 OD1 ASN A 55 10.357 -4.308 -5.106 1.00 0.00 O ATOM 1877 ND2 ASN A 55 10.623 -5.603 -6.843 1.00 0.00 N ATOM 0 H ASN A 55 6.118 -6.130 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 55 8.331 -4.901 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.368 -6.618 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.899 -5.375 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.598 -5.318 -6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.226 -6.275 -7.500 1.00 0.00 H new ATOM 1884 N ARG A 56 8.572 -2.513 -4.449 1.00 0.00 N ATOM 1885 CA ARG A 56 8.573 -1.042 -4.687 1.00 0.00 C ATOM 1886 C ARG A 56 8.850 -0.708 -6.157 1.00 0.00 C ATOM 1887 O ARG A 56 9.768 -1.217 -6.767 1.00 0.00 O ATOM 1888 CB ARG A 56 9.652 -0.408 -3.815 1.00 0.00 C ATOM 1889 CG ARG A 56 9.496 1.109 -3.848 1.00 0.00 C ATOM 1890 CD ARG A 56 10.569 1.750 -2.973 1.00 0.00 C ATOM 1891 NE ARG A 56 10.395 1.302 -1.562 1.00 0.00 N ATOM 1892 CZ ARG A 56 11.356 1.485 -0.700 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.483 2.015 -1.086 1.00 0.00 N ATOM 1894 NH2 ARG A 56 11.195 1.127 0.546 1.00 0.00 N ATOM 0 H ARG A 56 9.318 -2.846 -3.838 1.00 0.00 H new ATOM 0 HA ARG A 56 7.588 -0.650 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.569 -0.772 -2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.641 -0.692 -4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.582 1.472 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.505 1.391 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.560 1.474 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.500 2.836 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 56 9.526 0.853 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.612 2.286 -2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.236 2.159 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.317 0.704 0.846 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.948 1.271 1.219 1.00 0.00 H new ATOM 1908 N LYS A 57 8.043 0.151 -6.723 1.00 0.00 N ATOM 1909 CA LYS A 57 8.215 0.548 -8.152 1.00 0.00 C ATOM 1910 C LYS A 57 9.685 0.903 -8.434 1.00 0.00 C ATOM 1911 O LYS A 57 10.450 1.200 -7.537 1.00 0.00 O ATOM 1912 CB LYS A 57 7.339 1.778 -8.431 1.00 0.00 C ATOM 1913 CG LYS A 57 7.090 1.914 -9.940 1.00 0.00 C ATOM 1914 CD LYS A 57 6.703 3.349 -10.282 1.00 0.00 C ATOM 1915 CE LYS A 57 5.529 3.802 -9.409 1.00 0.00 C ATOM 1916 NZ LYS A 57 4.448 2.779 -9.463 1.00 0.00 N ATOM 0 H LYS A 57 7.260 0.601 -6.248 1.00 0.00 H new ATOM 0 HA LYS A 57 7.922 -0.283 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.389 1.685 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.827 2.676 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.987 1.630 -10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.297 1.232 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.556 4.010 -10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.431 3.419 -11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.860 3.943 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.152 4.764 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.522 3.250 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.524 2.241 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.543 2.131 -8.655 1.00 0.00 H new ATOM 1930 N VAL A 58 10.071 0.888 -9.684 1.00 0.00 N ATOM 1931 CA VAL A 58 11.472 1.232 -10.056 1.00 0.00 C ATOM 1932 C VAL A 58 11.784 2.661 -9.598 1.00 0.00 C ATOM 1933 O VAL A 58 10.932 3.527 -9.618 1.00 0.00 O ATOM 1934 CB VAL A 58 11.617 1.151 -11.579 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.005 1.640 -11.995 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.438 -0.300 -12.030 1.00 0.00 C ATOM 0 H VAL A 58 9.466 0.649 -10.470 1.00 0.00 H new ATOM 0 HA VAL A 58 12.161 0.536 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 58 10.858 1.779 -12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.102 1.580 -13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.137 2.674 -11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 58 13.766 1.015 -11.527 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.541 -0.360 -13.114 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.197 -0.924 -11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.448 -0.652 -11.740 1.00 0.00 H new