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 48 LYS NZ :NH3+ -132:sc= -0.557 (180deg=-3.84!) USER MOD Set 1.2: A 52 GLN : amide:sc= 0.396 K(o=-0.16,f=-4.3) USER MOD Set 2.1: A 7 CYS SG : rot 152:sc= 0.191 USER MOD Set 2.2: A 10 CYS SG : rot -57:sc= -0.407 USER MOD Set 2.3: A 28 CYS SG : rot -122:sc= 0.831 USER MOD Set 2.4: A 31 CYS SG : rot 147:sc= 0.186 USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc=0.000301 USER MOD Set 3.2: A 29 ASN : amide:sc= -8.47! C(o=-8.5!,f=-10!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 8 SER OG : rot 71:sc= 1.21 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0556 F(o=-1.7!,f=-0.056) USER MOD Single : A 11 GLN : amide:sc=-0.00749 X(o=-0.0075,f=-0.32) USER MOD Single : A 12 THR OG1 : rot -110:sc= 0.273 USER MOD Single : A 13 SER OG : rot 2:sc= 0.967 USER MOD Single : A 14 THR OG1 : rot 58:sc= 0.39 USER MOD Single : A 15 THR OG1 : rot -134:sc= 1.4 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0598 X(o=-0.06,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 41 ASN : amide:sc= -1.72! C(o=-1.7!,f=-4.1!) 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 53 THR OG1 : rot 180:sc= -0.0329 USER MOD Single : A 55 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.016) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1068 N ALA A 3 -6.296 9.314 14.608 1.00 0.00 N ATOM 1069 CA ALA A 3 -7.048 8.651 15.714 1.00 0.00 C ATOM 1070 C ALA A 3 -8.559 8.647 15.431 1.00 0.00 C ATOM 1071 O ALA A 3 -9.190 9.682 15.358 1.00 0.00 O ATOM 1072 CB ALA A 3 -6.793 9.425 17.010 1.00 0.00 C ATOM 0 HA ALA A 3 -6.707 7.619 15.799 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.336 8.953 17.829 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.726 9.421 17.232 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.135 10.453 16.893 1.00 0.00 H new ATOM 1078 N GLY A 4 -9.148 7.483 15.320 1.00 0.00 N ATOM 1079 CA GLY A 4 -10.628 7.399 15.097 1.00 0.00 C ATOM 1080 C GLY A 4 -10.993 7.551 13.611 1.00 0.00 C ATOM 1081 O GLY A 4 -12.122 7.318 13.225 1.00 0.00 O ATOM 0 H GLY A 4 -8.669 6.584 15.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.997 6.442 15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.127 8.177 15.675 1.00 0.00 H new ATOM 1085 N THR A 5 -10.076 7.953 12.775 1.00 0.00 N ATOM 1086 CA THR A 5 -10.426 8.124 11.330 1.00 0.00 C ATOM 1087 C THR A 5 -10.804 6.773 10.719 1.00 0.00 C ATOM 1088 O THR A 5 -9.982 5.884 10.615 1.00 0.00 O ATOM 1089 CB THR A 5 -9.223 8.691 10.574 1.00 0.00 C ATOM 1090 OG1 THR A 5 -8.626 9.717 11.348 1.00 0.00 O ATOM 1091 CG2 THR A 5 -9.672 9.265 9.220 1.00 0.00 C ATOM 0 H THR A 5 -9.110 8.169 13.022 1.00 0.00 H new ATOM 0 HA THR A 5 -11.271 8.808 11.251 1.00 0.00 H new ATOM 0 HB THR A 5 -8.501 7.893 10.399 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.854 10.082 10.868 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.808 9.666 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.129 8.475 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.398 10.061 9.385 1.00 0.00 H new ATOM 1099 N VAL A 6 -12.032 6.626 10.280 1.00 0.00 N ATOM 1100 CA VAL A 6 -12.475 5.349 9.627 1.00 0.00 C ATOM 1101 C VAL A 6 -12.975 5.697 8.228 1.00 0.00 C ATOM 1102 O VAL A 6 -13.581 6.731 8.025 1.00 0.00 O ATOM 1103 CB VAL A 6 -13.596 4.688 10.435 1.00 0.00 C ATOM 1104 CG1 VAL A 6 -13.058 4.262 11.803 1.00 0.00 C ATOM 1105 CG2 VAL A 6 -14.755 5.669 10.619 1.00 0.00 C ATOM 0 H VAL A 6 -12.755 7.343 10.346 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.644 4.645 9.577 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.956 3.811 9.898 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.856 3.792 12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.242 3.553 11.668 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.693 5.138 12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.548 5.191 11.194 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.403 6.553 11.151 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.141 5.963 9.643 1.00 0.00 H new ATOM 1115 N CYS A 7 -12.720 4.873 7.252 1.00 0.00 N ATOM 1116 CA CYS A 7 -13.180 5.208 5.878 1.00 0.00 C ATOM 1117 C CYS A 7 -14.694 5.340 5.834 1.00 0.00 C ATOM 1118 O CYS A 7 -15.426 4.397 6.057 1.00 0.00 O ATOM 1119 CB CYS A 7 -12.757 4.116 4.906 1.00 0.00 C ATOM 1120 SG CYS A 7 -13.019 4.698 3.216 1.00 0.00 S ATOM 0 H CYS A 7 -12.218 3.990 7.345 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.727 6.158 5.594 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -11.708 3.862 5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.334 3.209 5.085 1.00 0.00 H new ATOM 0 HG CYS A 7 -12.180 4.106 2.418 1.00 0.00 H new ATOM 1125 N SER A 8 -15.159 6.509 5.525 1.00 0.00 N ATOM 1126 CA SER A 8 -16.617 6.733 5.436 1.00 0.00 C ATOM 1127 C SER A 8 -17.215 5.813 4.371 1.00 0.00 C ATOM 1128 O SER A 8 -18.302 5.294 4.529 1.00 0.00 O ATOM 1129 CB SER A 8 -16.871 8.187 5.042 1.00 0.00 C ATOM 1130 OG SER A 8 -16.311 9.044 6.028 1.00 0.00 O ATOM 0 H SER A 8 -14.584 7.328 5.328 1.00 0.00 H new ATOM 0 HA SER A 8 -17.080 6.519 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.428 8.395 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 8 -17.942 8.370 4.950 1.00 0.00 H new ATOM 0 HG SER A 8 -15.333 9.010 5.973 1.00 0.00 H new ATOM 1136 N ASN A 9 -16.535 5.636 3.260 1.00 0.00 N ATOM 1137 CA ASN A 9 -17.111 4.782 2.184 1.00 0.00 C ATOM 1138 C ASN A 9 -16.937 3.280 2.464 1.00 0.00 C ATOM 1139 O ASN A 9 -17.823 2.516 2.129 1.00 0.00 O ATOM 1140 CB ASN A 9 -16.430 5.125 0.851 1.00 0.00 C ATOM 1141 CG ASN A 9 -16.935 6.477 0.330 1.00 0.00 C ATOM 1142 OD1 ASN A 9 -17.864 7.119 0.986 1.00 0.00 O flip ATOM 1143 ND2 ASN A 9 -16.474 6.955 -0.688 1.00 0.00 N flip ATOM 0 H ASN A 9 -15.621 6.041 3.059 1.00 0.00 H new ATOM 0 HA ASN A 9 -18.181 4.986 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.349 5.160 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.636 4.345 0.118 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -15.748 6.456 -1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.813 7.855 -1.028 1.00 0.00 H new ATOM 1150 N CYS A 10 -15.819 2.808 3.024 1.00 0.00 N ATOM 1151 CA CYS A 10 -15.679 1.311 3.231 1.00 0.00 C ATOM 1152 C CYS A 10 -15.270 0.919 4.668 1.00 0.00 C ATOM 1153 O CYS A 10 -15.073 -0.246 4.949 1.00 0.00 O ATOM 1154 CB CYS A 10 -14.677 0.731 2.223 1.00 0.00 C ATOM 1155 SG CYS A 10 -12.975 1.049 2.756 1.00 0.00 S ATOM 0 H CYS A 10 -15.029 3.374 3.334 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.669 0.885 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.837 -0.342 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.844 1.173 1.241 1.00 0.00 H new ATOM 0 HG CYS A 10 -12.798 2.328 2.904 1.00 0.00 H new ATOM 1160 N GLN A 11 -15.188 1.838 5.585 1.00 0.00 N ATOM 1161 CA GLN A 11 -14.851 1.456 7.000 1.00 0.00 C ATOM 1162 C GLN A 11 -13.509 0.696 7.104 1.00 0.00 C ATOM 1163 O GLN A 11 -13.393 -0.250 7.857 1.00 0.00 O ATOM 1164 CB GLN A 11 -15.977 0.565 7.542 1.00 0.00 C ATOM 1165 CG GLN A 11 -15.945 0.518 9.077 1.00 0.00 C ATOM 1166 CD GLN A 11 -16.914 -0.563 9.564 1.00 0.00 C ATOM 1167 OE1 GLN A 11 -16.877 -1.683 9.093 1.00 0.00 O ATOM 1168 NE2 GLN A 11 -17.785 -0.275 10.490 1.00 0.00 N ATOM 0 H GLN A 11 -15.337 2.835 5.427 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.751 2.372 7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.942 0.945 7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.874 -0.443 7.141 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.935 0.303 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -16.225 1.488 9.489 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.817 0.665 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -18.435 -0.989 10.819 1.00 0.00 H new ATOM 1177 N THR A 12 -12.469 1.161 6.459 1.00 0.00 N ATOM 1178 CA THR A 12 -11.119 0.540 6.649 1.00 0.00 C ATOM 1179 C THR A 12 -10.355 1.478 7.595 1.00 0.00 C ATOM 1180 O THR A 12 -10.582 2.672 7.546 1.00 0.00 O ATOM 1181 CB THR A 12 -10.387 0.360 5.302 1.00 0.00 C ATOM 1182 OG1 THR A 12 -9.183 -0.363 5.526 1.00 0.00 O ATOM 1183 CG2 THR A 12 -10.047 1.700 4.634 1.00 0.00 C ATOM 0 H THR A 12 -12.495 1.945 5.807 1.00 0.00 H new ATOM 0 HA THR A 12 -11.197 -0.462 7.072 1.00 0.00 H new ATOM 0 HB THR A 12 -11.055 -0.181 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.415 0.232 5.398 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.533 1.516 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.965 2.256 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.401 2.281 5.292 1.00 0.00 H new ATOM 1191 N SER A 13 -9.459 1.011 8.438 1.00 0.00 N ATOM 1192 CA SER A 13 -8.708 1.980 9.327 1.00 0.00 C ATOM 1193 C SER A 13 -7.207 1.852 9.037 1.00 0.00 C ATOM 1194 O SER A 13 -6.380 2.396 9.741 1.00 0.00 O ATOM 1195 CB SER A 13 -8.991 1.685 10.801 1.00 0.00 C ATOM 1196 OG SER A 13 -8.007 2.326 11.603 1.00 0.00 O ATOM 0 H SER A 13 -9.215 0.027 8.553 1.00 0.00 H new ATOM 0 HA SER A 13 -9.038 2.998 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.985 2.040 11.071 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.978 0.610 10.978 1.00 0.00 H new ATOM 0 HG SER A 13 -7.393 2.828 11.028 1.00 0.00 H new ATOM 1202 N THR A 14 -6.856 1.131 7.995 1.00 0.00 N ATOM 1203 CA THR A 14 -5.412 0.943 7.628 1.00 0.00 C ATOM 1204 C THR A 14 -5.135 1.590 6.270 1.00 0.00 C ATOM 1205 O THR A 14 -4.614 0.973 5.375 1.00 0.00 O ATOM 1206 CB THR A 14 -5.111 -0.552 7.534 1.00 0.00 C ATOM 1207 OG1 THR A 14 -5.606 -1.060 6.302 1.00 0.00 O ATOM 1208 CG2 THR A 14 -5.784 -1.275 8.695 1.00 0.00 C ATOM 0 H THR A 14 -7.516 0.660 7.376 1.00 0.00 H new ATOM 0 HA THR A 14 -4.783 1.407 8.388 1.00 0.00 H new ATOM 0 HB THR A 14 -4.034 -0.712 7.581 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.197 -0.570 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.571 -2.342 8.631 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.401 -0.884 9.638 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.861 -1.116 8.647 1.00 0.00 H new ATOM 1216 N THR A 15 -5.536 2.807 6.096 1.00 0.00 N ATOM 1217 CA THR A 15 -5.343 3.480 4.772 1.00 0.00 C ATOM 1218 C THR A 15 -3.901 3.945 4.583 1.00 0.00 C ATOM 1219 O THR A 15 -3.221 4.299 5.525 1.00 0.00 O ATOM 1220 CB THR A 15 -6.238 4.710 4.717 1.00 0.00 C ATOM 1221 OG1 THR A 15 -5.605 5.784 5.401 1.00 0.00 O ATOM 1222 CG2 THR A 15 -7.546 4.386 5.410 1.00 0.00 C ATOM 0 H THR A 15 -5.992 3.376 6.809 1.00 0.00 H new ATOM 0 HA THR A 15 -5.589 2.763 3.989 1.00 0.00 H new ATOM 0 HB THR A 15 -6.419 4.994 3.680 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.253 6.224 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.200 5.258 5.380 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.030 3.552 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.351 4.115 6.448 1.00 0.00 H new ATOM 1230 N THR A 16 -3.442 3.974 3.359 1.00 0.00 N ATOM 1231 CA THR A 16 -2.059 4.452 3.102 1.00 0.00 C ATOM 1232 C THR A 16 -2.062 5.985 3.143 1.00 0.00 C ATOM 1233 O THR A 16 -1.176 6.602 3.700 1.00 0.00 O ATOM 1234 CB THR A 16 -1.591 3.999 1.720 1.00 0.00 C ATOM 1235 OG1 THR A 16 -2.557 4.362 0.746 1.00 0.00 O ATOM 1236 CG2 THR A 16 -1.366 2.493 1.684 1.00 0.00 C ATOM 0 H THR A 16 -3.966 3.688 2.532 1.00 0.00 H new ATOM 0 HA THR A 16 -1.388 4.043 3.857 1.00 0.00 H new ATOM 0 HB THR A 16 -0.644 4.492 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.254 4.072 -0.140 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.033 2.198 0.689 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.605 2.221 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.298 1.980 1.922 1.00 0.00 H new ATOM 1244 N LEU A 17 -3.073 6.601 2.574 1.00 0.00 N ATOM 1245 CA LEU A 17 -3.168 8.098 2.597 1.00 0.00 C ATOM 1246 C LEU A 17 -4.648 8.469 2.767 1.00 0.00 C ATOM 1247 O LEU A 17 -5.505 7.958 2.073 1.00 0.00 O ATOM 1248 CB LEU A 17 -2.613 8.705 1.282 1.00 0.00 C ATOM 1249 CG LEU A 17 -1.954 10.071 1.557 1.00 0.00 C ATOM 1250 CD1 LEU A 17 -0.698 9.890 2.455 1.00 0.00 C ATOM 1251 CD2 LEU A 17 -1.575 10.740 0.209 1.00 0.00 C ATOM 0 H LEU A 17 -3.839 6.130 2.093 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.574 8.497 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.885 8.025 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.420 8.822 0.559 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.657 10.715 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.241 10.862 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.990 9.438 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.020 9.243 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.109 11.706 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.876 10.101 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.473 10.883 -0.391 1.00 0.00 H new ATOM 1263 N TRP A 18 -4.961 9.342 3.682 1.00 0.00 N ATOM 1264 CA TRP A 18 -6.386 9.730 3.893 1.00 0.00 C ATOM 1265 C TRP A 18 -6.802 10.784 2.859 1.00 0.00 C ATOM 1266 O TRP A 18 -6.121 11.772 2.662 1.00 0.00 O ATOM 1267 CB TRP A 18 -6.521 10.321 5.300 1.00 0.00 C ATOM 1268 CG TRP A 18 -6.506 9.210 6.305 1.00 0.00 C ATOM 1269 CD1 TRP A 18 -5.489 8.938 7.155 1.00 0.00 C ATOM 1270 CD2 TRP A 18 -7.536 8.211 6.571 1.00 0.00 C ATOM 1271 NE1 TRP A 18 -5.831 7.835 7.915 1.00 0.00 N ATOM 1272 CE2 TRP A 18 -7.079 7.359 7.600 1.00 0.00 C ATOM 1273 CE3 TRP A 18 -8.809 7.962 6.027 1.00 0.00 C ATOM 1274 CZ2 TRP A 18 -7.849 6.303 8.079 1.00 0.00 C ATOM 1275 CZ3 TRP A 18 -9.589 6.893 6.505 1.00 0.00 C ATOM 1276 CH2 TRP A 18 -9.109 6.068 7.529 1.00 0.00 C ATOM 0 H TRP A 18 -4.291 9.806 4.295 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.027 8.855 3.782 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.704 11.015 5.496 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.448 10.889 5.382 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.564 9.491 7.228 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.227 7.423 8.626 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.190 8.594 5.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -7.474 5.671 8.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.564 6.708 6.079 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.714 5.250 7.893 1.00 0.00 H new ATOM 1287 N ARG A 19 -7.917 10.578 2.194 1.00 0.00 N ATOM 1288 CA ARG A 19 -8.392 11.560 1.163 1.00 0.00 C ATOM 1289 C ARG A 19 -9.708 12.187 1.629 1.00 0.00 C ATOM 1290 O ARG A 19 -10.689 11.492 1.788 1.00 0.00 O ATOM 1291 CB ARG A 19 -8.682 10.824 -0.162 1.00 0.00 C ATOM 1292 CG ARG A 19 -7.626 9.760 -0.425 1.00 0.00 C ATOM 1293 CD ARG A 19 -6.264 10.417 -0.589 1.00 0.00 C ATOM 1294 NE ARG A 19 -5.335 9.451 -1.245 1.00 0.00 N ATOM 1295 CZ ARG A 19 -4.195 9.857 -1.738 1.00 0.00 C ATOM 1296 NH1 ARG A 19 -3.834 11.102 -1.626 1.00 0.00 N ATOM 1297 NH2 ARG A 19 -3.410 9.012 -2.345 1.00 0.00 N ATOM 0 H ARG A 19 -8.522 9.767 2.322 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.622 12.319 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.669 10.362 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.699 11.538 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.600 9.048 0.400 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.879 9.197 -1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.352 11.322 -1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.871 10.717 0.383 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.592 8.466 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.442 11.769 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.943 11.411 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.686 8.034 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.520 9.329 -2.730 1.00 0.00 H new ATOM 1311 N ARG A 20 -9.782 13.471 1.818 1.00 0.00 N ATOM 1312 CA ARG A 20 -11.094 14.037 2.223 1.00 0.00 C ATOM 1313 C ARG A 20 -12.010 13.916 0.997 1.00 0.00 C ATOM 1314 O ARG A 20 -11.564 14.065 -0.125 1.00 0.00 O ATOM 1315 CB ARG A 20 -10.932 15.500 2.651 1.00 0.00 C ATOM 1316 CG ARG A 20 -12.220 15.995 3.330 1.00 0.00 C ATOM 1317 CD ARG A 20 -12.410 15.314 4.704 1.00 0.00 C ATOM 1318 NE ARG A 20 -13.288 16.157 5.585 1.00 0.00 N ATOM 1319 CZ ARG A 20 -12.967 17.381 5.917 1.00 0.00 C ATOM 1320 NH1 ARG A 20 -11.794 17.866 5.616 1.00 0.00 N ATOM 1321 NH2 ARG A 20 -13.810 18.105 6.601 1.00 0.00 N ATOM 0 H ARG A 20 -9.016 14.137 1.714 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.516 13.505 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.090 15.596 3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.708 16.119 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.177 17.077 3.458 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.078 15.783 2.692 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.856 14.328 4.571 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.441 15.164 5.181 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.161 15.763 5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.117 17.290 5.117 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.554 18.822 5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.713 17.716 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.566 19.060 6.863 1.00 0.00 H new ATOM 1335 N SER A 21 -13.271 13.624 1.186 1.00 0.00 N ATOM 1336 CA SER A 21 -14.190 13.468 0.006 1.00 0.00 C ATOM 1337 C SER A 21 -14.861 14.814 -0.324 1.00 0.00 C ATOM 1338 O SER A 21 -14.915 15.698 0.503 1.00 0.00 O ATOM 1339 CB SER A 21 -15.238 12.391 0.333 1.00 0.00 C ATOM 1340 OG SER A 21 -14.855 11.168 -0.285 1.00 0.00 O ATOM 0 H SER A 21 -13.707 13.487 2.098 1.00 0.00 H new ATOM 0 HA SER A 21 -13.623 13.157 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.318 12.259 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.220 12.701 -0.023 1.00 0.00 H new ATOM 0 HG SER A 21 -15.518 10.476 -0.079 1.00 0.00 H new ATOM 1346 N PRO A 22 -15.365 14.973 -1.534 1.00 0.00 N ATOM 1347 CA PRO A 22 -16.029 16.249 -1.928 1.00 0.00 C ATOM 1348 C PRO A 22 -17.118 16.675 -0.929 1.00 0.00 C ATOM 1349 O PRO A 22 -17.493 17.828 -0.859 1.00 0.00 O ATOM 1350 CB PRO A 22 -16.640 15.898 -3.306 1.00 0.00 C ATOM 1351 CG PRO A 22 -16.252 14.448 -3.665 1.00 0.00 C ATOM 1352 CD PRO A 22 -15.304 13.912 -2.583 1.00 0.00 C ATOM 0 HA PRO A 22 -15.340 17.093 -1.953 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.725 16.002 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -16.274 16.587 -4.068 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.143 13.823 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.768 14.417 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -15.632 12.946 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.291 13.777 -2.963 1.00 0.00 H new ATOM 1360 N MET A 23 -17.630 15.745 -0.162 1.00 0.00 N ATOM 1361 CA MET A 23 -18.699 16.081 0.829 1.00 0.00 C ATOM 1362 C MET A 23 -18.077 16.318 2.206 1.00 0.00 C ATOM 1363 O MET A 23 -18.717 16.824 3.107 1.00 0.00 O ATOM 1364 CB MET A 23 -19.680 14.911 0.921 1.00 0.00 C ATOM 1365 CG MET A 23 -20.467 14.794 -0.386 1.00 0.00 C ATOM 1366 SD MET A 23 -21.574 13.365 -0.290 1.00 0.00 S ATOM 1367 CE MET A 23 -22.135 13.392 -2.010 1.00 0.00 C ATOM 0 H MET A 23 -17.353 14.764 -0.179 1.00 0.00 H new ATOM 0 HA MET A 23 -19.218 16.984 0.507 1.00 0.00 H new ATOM 0 HB2 MET A 23 -19.139 13.985 1.115 1.00 0.00 H new ATOM 0 HB3 MET A 23 -20.364 15.062 1.756 1.00 0.00 H new ATOM 0 HG2 MET A 23 -21.042 15.703 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.783 14.683 -1.227 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.840 12.578 -2.175 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.624 14.344 -2.218 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.279 13.271 -2.674 1.00 0.00 H new ATOM 1377 N GLY A 24 -16.835 15.955 2.380 1.00 0.00 N ATOM 1378 CA GLY A 24 -16.170 16.154 3.702 1.00 0.00 C ATOM 1379 C GLY A 24 -16.278 14.875 4.538 1.00 0.00 C ATOM 1380 O GLY A 24 -16.247 14.915 5.752 1.00 0.00 O ATOM 0 H GLY A 24 -16.250 15.528 1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -15.122 16.416 3.556 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.635 16.985 4.232 1.00 0.00 H new ATOM 1384 N ASP A 25 -16.396 13.735 3.902 1.00 0.00 N ATOM 1385 CA ASP A 25 -16.495 12.442 4.645 1.00 0.00 C ATOM 1386 C ASP A 25 -15.145 11.692 4.521 1.00 0.00 C ATOM 1387 O ASP A 25 -14.809 11.234 3.449 1.00 0.00 O ATOM 1388 CB ASP A 25 -17.587 11.589 3.990 1.00 0.00 C ATOM 1389 CG ASP A 25 -18.883 12.398 3.886 1.00 0.00 C ATOM 1390 OD1 ASP A 25 -18.881 13.541 4.312 1.00 0.00 O ATOM 1391 OD2 ASP A 25 -19.855 11.858 3.383 1.00 0.00 O ATOM 0 H ASP A 25 -16.428 13.646 2.886 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.730 12.625 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -17.266 11.269 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -17.757 10.686 4.576 1.00 0.00 H new ATOM 1396 N PRO A 26 -14.359 11.566 5.577 1.00 0.00 N ATOM 1397 CA PRO A 26 -13.037 10.859 5.475 1.00 0.00 C ATOM 1398 C PRO A 26 -13.117 9.504 4.732 1.00 0.00 C ATOM 1399 O PRO A 26 -13.930 8.658 5.048 1.00 0.00 O ATOM 1400 CB PRO A 26 -12.669 10.679 6.957 1.00 0.00 C ATOM 1401 CG PRO A 26 -13.459 11.729 7.754 1.00 0.00 C ATOM 1402 CD PRO A 26 -14.703 12.094 6.933 1.00 0.00 C ATOM 0 HA PRO A 26 -12.303 11.413 4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.917 9.673 7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.597 10.810 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.746 11.334 8.729 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.847 12.613 7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.604 11.630 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.878 13.170 6.918 1.00 0.00 H new ATOM 1410 N VAL A 27 -12.249 9.298 3.759 1.00 0.00 N ATOM 1411 CA VAL A 27 -12.235 7.995 2.997 1.00 0.00 C ATOM 1412 C VAL A 27 -10.794 7.493 2.840 1.00 0.00 C ATOM 1413 O VAL A 27 -9.848 8.238 3.007 1.00 0.00 O ATOM 1414 CB VAL A 27 -12.872 8.153 1.618 1.00 0.00 C ATOM 1415 CG1 VAL A 27 -14.389 8.312 1.769 1.00 0.00 C ATOM 1416 CG2 VAL A 27 -12.264 9.368 0.919 1.00 0.00 C ATOM 0 H VAL A 27 -11.549 9.976 3.459 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.817 7.269 3.565 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.678 7.268 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.843 8.425 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.800 7.430 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.604 9.195 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.716 9.485 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.453 10.262 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.189 9.225 0.810 1.00 0.00 H new ATOM 1426 N CYS A 28 -10.613 6.227 2.533 1.00 0.00 N ATOM 1427 CA CYS A 28 -9.233 5.674 2.384 1.00 0.00 C ATOM 1428 C CYS A 28 -8.670 5.940 0.982 1.00 0.00 C ATOM 1429 O CYS A 28 -9.393 6.153 0.028 1.00 0.00 O ATOM 1430 CB CYS A 28 -9.240 4.169 2.717 1.00 0.00 C ATOM 1431 SG CYS A 28 -10.055 3.175 1.430 1.00 0.00 S ATOM 0 H CYS A 28 -11.365 5.555 2.380 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.573 6.183 3.087 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.214 3.823 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -9.748 4.013 3.668 1.00 0.00 H new ATOM 0 HG CYS A 28 -11.037 2.505 1.956 1.00 0.00 H new ATOM 1436 N ASN A 29 -7.365 5.955 0.877 1.00 0.00 N ATOM 1437 CA ASN A 29 -6.688 6.237 -0.426 1.00 0.00 C ATOM 1438 C ASN A 29 -7.316 5.432 -1.561 1.00 0.00 C ATOM 1439 O ASN A 29 -7.372 5.884 -2.687 1.00 0.00 O ATOM 1440 CB ASN A 29 -5.214 5.840 -0.294 1.00 0.00 C ATOM 1441 CG ASN A 29 -4.441 6.312 -1.521 1.00 0.00 C ATOM 1442 OD1 ASN A 29 -4.991 6.404 -2.596 1.00 0.00 O ATOM 1443 ND2 ASN A 29 -3.176 6.614 -1.405 1.00 0.00 N ATOM 0 H ASN A 29 -6.728 5.780 1.654 1.00 0.00 H new ATOM 0 HA ASN A 29 -6.794 7.297 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.788 6.281 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.127 4.758 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.650 6.928 -2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.714 6.536 -0.499 1.00 0.00 H new ATOM 1450 N ALA A 30 -7.775 4.252 -1.295 1.00 0.00 N ATOM 1451 CA ALA A 30 -8.377 3.443 -2.389 1.00 0.00 C ATOM 1452 C ALA A 30 -9.774 3.983 -2.763 1.00 0.00 C ATOM 1453 O ALA A 30 -10.038 4.279 -3.911 1.00 0.00 O ATOM 1454 CB ALA A 30 -8.450 1.979 -1.931 1.00 0.00 C ATOM 0 H ALA A 30 -7.763 3.810 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.758 3.511 -3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.889 1.372 -2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.446 1.616 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.066 1.908 -1.035 1.00 0.00 H new ATOM 1460 N CYS A 31 -10.670 4.113 -1.815 1.00 0.00 N ATOM 1461 CA CYS A 31 -12.038 4.630 -2.146 1.00 0.00 C ATOM 1462 C CYS A 31 -11.930 5.984 -2.835 1.00 0.00 C ATOM 1463 O CYS A 31 -12.589 6.251 -3.802 1.00 0.00 O ATOM 1464 CB CYS A 31 -12.855 4.833 -0.866 1.00 0.00 C ATOM 1465 SG CYS A 31 -13.393 3.251 -0.200 1.00 0.00 S ATOM 0 H CYS A 31 -10.517 3.886 -0.833 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.522 3.901 -2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.254 5.360 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.722 5.459 -1.077 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.430 3.316 1.098 1.00 0.00 H new ATOM 1470 N GLY A 32 -11.125 6.853 -2.332 1.00 0.00 N ATOM 1471 CA GLY A 32 -11.031 8.189 -2.965 1.00 0.00 C ATOM 1472 C GLY A 32 -10.748 8.042 -4.458 1.00 0.00 C ATOM 1473 O GLY A 32 -11.395 8.652 -5.285 1.00 0.00 O ATOM 0 H GLY A 32 -10.530 6.705 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.961 8.737 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.239 8.769 -2.492 1.00 0.00 H new ATOM 1477 N LEU A 33 -9.778 7.252 -4.811 1.00 0.00 N ATOM 1478 CA LEU A 33 -9.449 7.081 -6.251 1.00 0.00 C ATOM 1479 C LEU A 33 -10.529 6.238 -6.946 1.00 0.00 C ATOM 1480 O LEU A 33 -11.044 6.610 -7.978 1.00 0.00 O ATOM 1481 CB LEU A 33 -8.081 6.400 -6.361 1.00 0.00 C ATOM 1482 CG LEU A 33 -7.016 7.273 -5.665 1.00 0.00 C ATOM 1483 CD1 LEU A 33 -5.772 6.435 -5.349 1.00 0.00 C ATOM 1484 CD2 LEU A 33 -6.621 8.455 -6.567 1.00 0.00 C ATOM 0 H LEU A 33 -9.198 6.716 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.414 8.053 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.116 5.413 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.819 6.253 -7.409 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.438 7.657 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.027 7.061 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.046 5.612 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.357 6.036 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.869 9.062 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.213 8.077 -7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.501 9.065 -6.774 1.00 0.00 H new ATOM 1496 N TYR A 34 -10.886 5.112 -6.394 1.00 0.00 N ATOM 1497 CA TYR A 34 -11.934 4.266 -7.040 1.00 0.00 C ATOM 1498 C TYR A 34 -13.232 5.056 -7.142 1.00 0.00 C ATOM 1499 O TYR A 34 -13.874 5.099 -8.173 1.00 0.00 O ATOM 1500 CB TYR A 34 -12.181 3.026 -6.177 1.00 0.00 C ATOM 1501 CG TYR A 34 -13.332 2.222 -6.739 1.00 0.00 C ATOM 1502 CD1 TYR A 34 -13.089 1.232 -7.692 1.00 0.00 C ATOM 1503 CD2 TYR A 34 -14.638 2.460 -6.295 1.00 0.00 C ATOM 1504 CE1 TYR A 34 -14.151 0.476 -8.206 1.00 0.00 C ATOM 1505 CE2 TYR A 34 -15.700 1.706 -6.807 1.00 0.00 C ATOM 1506 CZ TYR A 34 -15.456 0.713 -7.763 1.00 0.00 C ATOM 1507 OH TYR A 34 -16.502 -0.033 -8.269 1.00 0.00 O ATOM 0 H TYR A 34 -10.500 4.740 -5.526 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.600 3.972 -8.035 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.281 2.412 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.402 3.325 -5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -12.081 1.048 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -14.826 3.226 -5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -13.962 -0.289 -8.944 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -16.708 1.890 -6.465 1.00 0.00 H new ATOM 0 HH TYR A 34 -17.341 0.258 -7.855 1.00 0.00 H new ATOM 1517 N TYR A 35 -13.623 5.671 -6.071 1.00 0.00 N ATOM 1518 CA TYR A 35 -14.876 6.455 -6.069 1.00 0.00 C ATOM 1519 C TYR A 35 -14.780 7.590 -7.093 1.00 0.00 C ATOM 1520 O TYR A 35 -15.669 7.812 -7.871 1.00 0.00 O ATOM 1521 CB TYR A 35 -15.099 7.045 -4.670 1.00 0.00 C ATOM 1522 CG TYR A 35 -16.543 7.434 -4.528 1.00 0.00 C ATOM 1523 CD1 TYR A 35 -16.966 8.690 -4.955 1.00 0.00 C ATOM 1524 CD2 TYR A 35 -17.459 6.529 -3.980 1.00 0.00 C ATOM 1525 CE1 TYR A 35 -18.312 9.052 -4.837 1.00 0.00 C ATOM 1526 CE2 TYR A 35 -18.805 6.885 -3.858 1.00 0.00 C ATOM 1527 CZ TYR A 35 -19.234 8.148 -4.287 1.00 0.00 C ATOM 1528 OH TYR A 35 -20.562 8.503 -4.170 1.00 0.00 O ATOM 0 H TYR A 35 -13.120 5.663 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 35 -15.711 5.806 -6.333 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -14.829 6.316 -3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -14.458 7.914 -4.521 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.255 9.385 -5.377 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -17.126 5.556 -3.651 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.641 10.026 -5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.513 6.188 -3.434 1.00 0.00 H new ATOM 0 HH TYR A 35 -21.065 7.763 -3.771 1.00 0.00 H new ATOM 1538 N LYS A 36 -13.712 8.320 -7.094 1.00 0.00 N ATOM 1539 CA LYS A 36 -13.588 9.443 -8.065 1.00 0.00 C ATOM 1540 C LYS A 36 -13.666 8.917 -9.504 1.00 0.00 C ATOM 1541 O LYS A 36 -14.308 9.505 -10.352 1.00 0.00 O ATOM 1542 CB LYS A 36 -12.236 10.128 -7.834 1.00 0.00 C ATOM 1543 CG LYS A 36 -12.019 11.246 -8.860 1.00 0.00 C ATOM 1544 CD LYS A 36 -10.717 11.997 -8.539 1.00 0.00 C ATOM 1545 CE LYS A 36 -9.498 11.189 -9.017 1.00 0.00 C ATOM 1546 NZ LYS A 36 -8.286 12.057 -8.987 1.00 0.00 N ATOM 0 H LYS A 36 -12.917 8.194 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.403 10.151 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.198 10.539 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.433 9.395 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.970 10.826 -9.865 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.862 11.937 -8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.725 12.974 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.646 12.172 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.351 10.319 -8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.668 10.817 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.461 11.512 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.429 12.874 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.122 12.391 -8.016 1.00 0.00 H new ATOM 1560 N LEU A 37 -13.011 7.831 -9.792 1.00 0.00 N ATOM 1561 CA LEU A 37 -13.038 7.289 -11.183 1.00 0.00 C ATOM 1562 C LEU A 37 -14.424 6.716 -11.542 1.00 0.00 C ATOM 1563 O LEU A 37 -14.872 6.860 -12.662 1.00 0.00 O ATOM 1564 CB LEU A 37 -11.965 6.186 -11.312 1.00 0.00 C ATOM 1565 CG LEU A 37 -10.626 6.783 -11.773 1.00 0.00 C ATOM 1566 CD1 LEU A 37 -10.131 7.841 -10.777 1.00 0.00 C ATOM 1567 CD2 LEU A 37 -9.586 5.666 -11.875 1.00 0.00 C ATOM 0 H LEU A 37 -12.457 7.292 -9.127 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.829 8.104 -11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.834 5.685 -10.353 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.297 5.430 -12.024 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.770 7.256 -12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.182 8.250 -11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.866 8.642 -10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.993 7.383 -9.798 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.634 6.084 -12.202 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.460 5.196 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.922 4.921 -12.596 1.00 0.00 H new ATOM 1579 N HIS A 38 -15.082 6.031 -10.630 1.00 0.00 N ATOM 1580 CA HIS A 38 -16.414 5.407 -10.965 1.00 0.00 C ATOM 1581 C HIS A 38 -17.560 5.980 -10.120 1.00 0.00 C ATOM 1582 O HIS A 38 -18.694 5.587 -10.284 1.00 0.00 O ATOM 1583 CB HIS A 38 -16.317 3.904 -10.704 1.00 0.00 C ATOM 1584 CG HIS A 38 -15.204 3.329 -11.531 1.00 0.00 C ATOM 1585 ND1 HIS A 38 -15.420 2.800 -12.793 1.00 0.00 N ATOM 1586 CD2 HIS A 38 -13.858 3.193 -11.291 1.00 0.00 C ATOM 1587 CE1 HIS A 38 -14.234 2.373 -13.262 1.00 0.00 C ATOM 1588 NE2 HIS A 38 -13.248 2.588 -12.386 1.00 0.00 N ATOM 0 H HIS A 38 -14.760 5.876 -9.675 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.635 5.624 -12.010 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -16.133 3.718 -9.646 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -17.260 3.418 -10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.351 3.507 -10.391 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.095 1.912 -14.229 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -12.260 2.358 -12.496 1.00 0.00 H new ATOM 1596 N GLN A 39 -17.297 6.897 -9.233 1.00 0.00 N ATOM 1597 CA GLN A 39 -18.371 7.502 -8.380 1.00 0.00 C ATOM 1598 C GLN A 39 -19.460 6.488 -7.960 1.00 0.00 C ATOM 1599 O GLN A 39 -20.640 6.776 -7.981 1.00 0.00 O ATOM 1600 CB GLN A 39 -18.948 8.746 -9.078 1.00 0.00 C ATOM 1601 CG GLN A 39 -19.753 8.360 -10.331 1.00 0.00 C ATOM 1602 CD GLN A 39 -20.299 9.628 -10.993 1.00 0.00 C ATOM 1603 OE1 GLN A 39 -19.667 10.666 -10.960 1.00 0.00 O ATOM 1604 NE2 GLN A 39 -21.455 9.588 -11.601 1.00 0.00 N ATOM 0 H GLN A 39 -16.362 7.265 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 39 -17.917 7.816 -7.440 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -19.589 9.290 -8.385 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -18.137 9.418 -9.357 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -19.119 7.815 -11.031 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -20.573 7.696 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -21.986 8.718 -11.630 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -21.826 10.427 -12.047 1.00 0.00 H new ATOM 1613 N VAL A 40 -19.053 5.322 -7.507 1.00 0.00 N ATOM 1614 CA VAL A 40 -20.022 4.298 -7.007 1.00 0.00 C ATOM 1615 C VAL A 40 -19.402 3.597 -5.790 1.00 0.00 C ATOM 1616 O VAL A 40 -18.196 3.525 -5.655 1.00 0.00 O ATOM 1617 CB VAL A 40 -20.319 3.250 -8.078 1.00 0.00 C ATOM 1618 CG1 VAL A 40 -21.214 3.843 -9.166 1.00 0.00 C ATOM 1619 CG2 VAL A 40 -19.013 2.748 -8.688 1.00 0.00 C ATOM 0 H VAL A 40 -18.075 5.036 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 40 -20.955 4.796 -6.743 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.841 2.412 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.418 3.085 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -22.153 4.175 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.710 4.692 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -19.231 2.001 -9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -18.478 3.583 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -18.396 2.301 -7.909 1.00 0.00 H new ATOM 1629 N ASN A 41 -20.211 3.082 -4.901 1.00 0.00 N ATOM 1630 CA ASN A 41 -19.657 2.387 -3.690 1.00 0.00 C ATOM 1631 C ASN A 41 -19.380 0.906 -4.004 1.00 0.00 C ATOM 1632 O ASN A 41 -20.206 0.221 -4.574 1.00 0.00 O ATOM 1633 CB ASN A 41 -20.658 2.480 -2.535 1.00 0.00 C ATOM 1634 CG ASN A 41 -21.928 1.704 -2.887 1.00 0.00 C ATOM 1635 OD1 ASN A 41 -21.916 0.491 -2.947 1.00 0.00 O ATOM 1636 ND2 ASN A 41 -23.035 2.357 -3.116 1.00 0.00 N ATOM 0 H ASN A 41 -21.229 3.110 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.724 2.873 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -20.215 2.077 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -20.902 3.524 -2.336 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -23.889 1.848 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -23.046 3.376 -3.066 1.00 0.00 H new ATOM 1643 N ARG A 42 -18.214 0.410 -3.646 1.00 0.00 N ATOM 1644 CA ARG A 42 -17.857 -1.023 -3.930 1.00 0.00 C ATOM 1645 C ARG A 42 -17.938 -1.862 -2.631 1.00 0.00 C ATOM 1646 O ARG A 42 -17.712 -1.345 -1.555 1.00 0.00 O ATOM 1647 CB ARG A 42 -16.415 -1.060 -4.459 1.00 0.00 C ATOM 1648 CG ARG A 42 -15.461 -0.553 -3.374 1.00 0.00 C ATOM 1649 CD ARG A 42 -14.061 -0.368 -3.967 1.00 0.00 C ATOM 1650 NE ARG A 42 -13.785 -1.461 -4.944 1.00 0.00 N ATOM 1651 CZ ARG A 42 -12.783 -1.354 -5.775 1.00 0.00 C ATOM 1652 NH1 ARG A 42 -12.020 -0.297 -5.743 1.00 0.00 N ATOM 1653 NH2 ARG A 42 -12.544 -2.305 -6.636 1.00 0.00 N ATOM 0 H ARG A 42 -17.488 0.942 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 42 -18.551 -1.437 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -16.148 -2.077 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -16.328 -0.442 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -15.823 0.392 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -15.426 -1.261 -2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.989 0.601 -4.460 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.314 -0.378 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.378 -2.291 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.206 0.446 -5.069 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.237 -0.213 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.140 -3.133 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.761 -2.221 -7.285 1.00 0.00 H new ATOM 1667 N PRO A 43 -18.242 -3.149 -2.716 1.00 0.00 N ATOM 1668 CA PRO A 43 -18.319 -4.017 -1.492 1.00 0.00 C ATOM 1669 C PRO A 43 -16.981 -4.089 -0.722 1.00 0.00 C ATOM 1670 O PRO A 43 -15.916 -3.949 -1.288 1.00 0.00 O ATOM 1671 CB PRO A 43 -18.704 -5.390 -2.083 1.00 0.00 C ATOM 1672 CG PRO A 43 -18.531 -5.316 -3.609 1.00 0.00 C ATOM 1673 CD PRO A 43 -18.537 -3.836 -4.012 1.00 0.00 C ATOM 0 HA PRO A 43 -19.025 -3.638 -0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -18.073 -6.175 -1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -19.734 -5.639 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -17.597 -5.790 -3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -19.337 -5.852 -4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -17.783 -3.618 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -19.499 -3.531 -4.424 1.00 0.00 H new ATOM 1681 N LEU A 44 -17.048 -4.297 0.570 1.00 0.00 N ATOM 1682 CA LEU A 44 -15.806 -4.371 1.411 1.00 0.00 C ATOM 1683 C LEU A 44 -15.046 -5.682 1.168 1.00 0.00 C ATOM 1684 O LEU A 44 -13.974 -5.883 1.698 1.00 0.00 O ATOM 1685 CB LEU A 44 -16.203 -4.296 2.905 1.00 0.00 C ATOM 1686 CG LEU A 44 -16.215 -2.836 3.386 1.00 0.00 C ATOM 1687 CD1 LEU A 44 -17.374 -2.073 2.727 1.00 0.00 C ATOM 1688 CD2 LEU A 44 -16.360 -2.800 4.917 1.00 0.00 C ATOM 0 H LEU A 44 -17.919 -4.420 1.086 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.158 -3.538 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -17.188 -4.740 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -15.501 -4.877 3.504 1.00 0.00 H new ATOM 0 HG LEU A 44 -15.278 -2.357 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -17.374 -1.040 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -17.253 -2.092 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.319 -2.545 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -16.368 -1.765 5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -17.293 -3.284 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -15.522 -3.325 5.374 1.00 0.00 H new ATOM 1700 N THR A 45 -15.590 -6.583 0.411 1.00 0.00 N ATOM 1701 CA THR A 45 -14.876 -7.873 0.192 1.00 0.00 C ATOM 1702 C THR A 45 -13.464 -7.592 -0.325 1.00 0.00 C ATOM 1703 O THR A 45 -12.638 -8.478 -0.419 1.00 0.00 O ATOM 1704 CB THR A 45 -15.640 -8.713 -0.832 1.00 0.00 C ATOM 1705 OG1 THR A 45 -15.807 -7.962 -2.028 1.00 0.00 O ATOM 1706 CG2 THR A 45 -17.012 -9.092 -0.267 1.00 0.00 C ATOM 0 H THR A 45 -16.488 -6.490 -0.063 1.00 0.00 H new ATOM 0 HA THR A 45 -14.815 -8.419 1.133 1.00 0.00 H new ATOM 0 HB THR A 45 -15.078 -9.621 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 45 -16.295 -8.499 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 45 -17.554 -9.691 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.882 -9.669 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.578 -8.187 -0.048 1.00 0.00 H new ATOM 1714 N MET A 46 -13.188 -6.365 -0.673 1.00 0.00 N ATOM 1715 CA MET A 46 -11.834 -6.015 -1.201 1.00 0.00 C ATOM 1716 C MET A 46 -10.910 -5.568 -0.057 1.00 0.00 C ATOM 1717 O MET A 46 -9.702 -5.605 -0.176 1.00 0.00 O ATOM 1718 CB MET A 46 -11.997 -4.879 -2.214 1.00 0.00 C ATOM 1719 CG MET A 46 -10.702 -4.663 -3.003 1.00 0.00 C ATOM 1720 SD MET A 46 -11.087 -3.736 -4.510 1.00 0.00 S ATOM 1721 CE MET A 46 -9.410 -3.169 -4.882 1.00 0.00 C ATOM 0 H MET A 46 -13.843 -5.585 -0.615 1.00 0.00 H new ATOM 0 HA MET A 46 -11.385 -6.887 -1.677 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.811 -5.112 -2.900 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.270 -3.960 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.978 -4.117 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.249 -5.622 -3.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 -9.422 -2.568 -5.791 1.00 0.00 H new ATOM 0 HE2 MET A 46 -9.037 -2.566 -4.054 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.758 -4.031 -5.026 1.00 0.00 H new ATOM 1731 N ARG A 47 -11.466 -5.141 1.047 1.00 0.00 N ATOM 1732 CA ARG A 47 -10.612 -4.683 2.188 1.00 0.00 C ATOM 1733 C ARG A 47 -10.023 -5.891 2.925 1.00 0.00 C ATOM 1734 O ARG A 47 -10.635 -6.938 3.010 1.00 0.00 O ATOM 1735 CB ARG A 47 -11.461 -3.879 3.180 1.00 0.00 C ATOM 1736 CG ARG A 47 -12.258 -2.798 2.445 1.00 0.00 C ATOM 1737 CD ARG A 47 -11.317 -1.840 1.719 1.00 0.00 C ATOM 1738 NE ARG A 47 -10.153 -1.516 2.595 1.00 0.00 N ATOM 1739 CZ ARG A 47 -9.108 -0.907 2.102 1.00 0.00 C ATOM 1740 NH1 ARG A 47 -9.105 -0.516 0.857 1.00 0.00 N ATOM 1741 NH2 ARG A 47 -8.070 -0.674 2.860 1.00 0.00 N ATOM 0 H ARG A 47 -12.472 -5.089 1.210 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.808 -4.064 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -12.142 -4.545 3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.818 -3.419 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.937 -3.262 1.730 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.873 -2.245 3.155 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.970 -2.291 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.848 -0.927 1.451 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.174 -1.771 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -9.920 -0.686 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.288 -0.041 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.076 -0.968 3.837 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.254 -0.198 2.475 1.00 0.00 H new ATOM 1755 N LYS A 48 -8.839 -5.749 3.474 1.00 0.00 N ATOM 1756 CA LYS A 48 -8.207 -6.881 4.228 1.00 0.00 C ATOM 1757 C LYS A 48 -7.461 -6.337 5.452 1.00 0.00 C ATOM 1758 O LYS A 48 -7.217 -5.153 5.568 1.00 0.00 O ATOM 1759 CB LYS A 48 -7.242 -7.652 3.321 1.00 0.00 C ATOM 1760 CG LYS A 48 -6.102 -6.742 2.845 1.00 0.00 C ATOM 1761 CD LYS A 48 -5.146 -7.542 1.942 1.00 0.00 C ATOM 1762 CE LYS A 48 -5.723 -7.656 0.525 1.00 0.00 C ATOM 1763 NZ LYS A 48 -4.702 -8.256 -0.378 1.00 0.00 N ATOM 0 H LYS A 48 -8.281 -4.896 3.432 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.989 -7.563 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.832 -8.506 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.781 -8.048 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.507 -5.890 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.560 -6.342 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.173 -7.053 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.988 -8.537 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.622 -8.272 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.015 -6.672 0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.631 -7.689 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.780 -8.270 0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.981 -9.228 -0.620 1.00 0.00 H new ATOM 1777 N ASP A 49 -7.142 -7.198 6.384 1.00 0.00 N ATOM 1778 CA ASP A 49 -6.454 -6.766 7.643 1.00 0.00 C ATOM 1779 C ASP A 49 -5.422 -5.652 7.390 1.00 0.00 C ATOM 1780 O ASP A 49 -5.749 -4.482 7.377 1.00 0.00 O ATOM 1781 CB ASP A 49 -5.755 -7.982 8.272 1.00 0.00 C ATOM 1782 CG ASP A 49 -5.124 -8.840 7.174 1.00 0.00 C ATOM 1783 OD1 ASP A 49 -5.866 -9.506 6.470 1.00 0.00 O ATOM 1784 OD2 ASP A 49 -3.910 -8.819 7.057 1.00 0.00 O ATOM 0 H ASP A 49 -7.331 -8.199 6.327 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.209 -6.363 8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.989 -7.651 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.473 -8.573 8.840 1.00 0.00 H new ATOM 1789 N GLY A 50 -4.173 -6.011 7.228 1.00 0.00 N ATOM 1790 CA GLY A 50 -3.107 -4.979 7.023 1.00 0.00 C ATOM 1791 C GLY A 50 -3.221 -4.334 5.638 1.00 0.00 C ATOM 1792 O GLY A 50 -4.171 -4.549 4.914 1.00 0.00 O ATOM 0 H GLY A 50 -3.844 -6.976 7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.187 -4.211 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.125 -5.439 7.133 1.00 0.00 H new ATOM 1796 N ILE A 51 -2.244 -3.535 5.274 1.00 0.00 N ATOM 1797 CA ILE A 51 -2.262 -2.859 3.946 1.00 0.00 C ATOM 1798 C ILE A 51 -1.539 -3.732 2.909 1.00 0.00 C ATOM 1799 O ILE A 51 -0.597 -4.436 3.216 1.00 0.00 O ATOM 1800 CB ILE A 51 -1.576 -1.491 4.087 1.00 0.00 C ATOM 1801 CG1 ILE A 51 -2.268 -0.719 5.235 1.00 0.00 C ATOM 1802 CG2 ILE A 51 -1.685 -0.705 2.771 1.00 0.00 C ATOM 1803 CD1 ILE A 51 -2.031 0.794 5.109 1.00 0.00 C ATOM 0 H ILE A 51 -1.429 -3.324 5.850 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.287 -2.714 3.606 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.518 -1.623 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.338 -0.924 5.222 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.888 -1.071 6.194 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.195 0.262 2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.201 -1.266 1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.736 -0.553 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.529 1.310 5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.961 0.999 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.434 1.148 4.160 1.00 0.00 H new ATOM 1815 N GLN A 52 -1.983 -3.682 1.681 1.00 0.00 N ATOM 1816 CA GLN A 52 -1.342 -4.495 0.603 1.00 0.00 C ATOM 1817 C GLN A 52 0.013 -3.891 0.223 1.00 0.00 C ATOM 1818 O GLN A 52 0.186 -2.694 0.218 1.00 0.00 O ATOM 1819 CB GLN A 52 -2.237 -4.495 -0.641 1.00 0.00 C ATOM 1820 CG GLN A 52 -3.490 -5.331 -0.396 1.00 0.00 C ATOM 1821 CD GLN A 52 -4.422 -5.192 -1.601 1.00 0.00 C ATOM 1822 OE1 GLN A 52 -4.513 -6.083 -2.422 1.00 0.00 O ATOM 1823 NE2 GLN A 52 -5.117 -4.097 -1.750 1.00 0.00 N ATOM 0 H GLN A 52 -2.769 -3.108 1.375 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.203 -5.512 0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.518 -3.473 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.686 -4.895 -1.493 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.222 -6.377 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.994 -4.998 0.511 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.042 -3.348 -1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.735 -3.991 -2.554 1.00 0.00 H new ATOM 1832 N THR A 53 0.984 -4.709 -0.092 1.00 0.00 N ATOM 1833 CA THR A 53 2.324 -4.163 -0.480 1.00 0.00 C ATOM 1834 C THR A 53 2.888 -4.954 -1.660 1.00 0.00 C ATOM 1835 O THR A 53 2.566 -6.105 -1.882 1.00 0.00 O ATOM 1836 CB THR A 53 3.287 -4.224 0.706 1.00 0.00 C ATOM 1837 OG1 THR A 53 4.619 -4.343 0.232 1.00 0.00 O ATOM 1838 CG2 THR A 53 2.941 -5.419 1.580 1.00 0.00 C ATOM 0 H THR A 53 0.910 -5.726 -0.098 1.00 0.00 H new ATOM 0 HA THR A 53 2.206 -3.121 -0.777 1.00 0.00 H new ATOM 0 HB THR A 53 3.197 -3.311 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.235 -4.380 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.628 -5.462 2.425 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.920 -5.318 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.027 -6.335 0.995 1.00 0.00 H new ATOM 1846 N ARG A 54 3.724 -4.308 -2.417 1.00 0.00 N ATOM 1847 CA ARG A 54 4.346 -4.947 -3.619 1.00 0.00 C ATOM 1848 C ARG A 54 5.750 -4.391 -3.824 1.00 0.00 C ATOM 1849 O ARG A 54 6.098 -3.345 -3.315 1.00 0.00 O ATOM 1850 CB ARG A 54 3.523 -4.634 -4.882 1.00 0.00 C ATOM 1851 CG ARG A 54 2.111 -5.252 -4.817 1.00 0.00 C ATOM 1852 CD ARG A 54 2.185 -6.781 -4.931 1.00 0.00 C ATOM 1853 NE ARG A 54 3.072 -7.167 -6.064 1.00 0.00 N ATOM 1854 CZ ARG A 54 3.603 -8.358 -6.098 1.00 0.00 C ATOM 1855 NH1 ARG A 54 3.376 -9.205 -5.129 1.00 0.00 N ATOM 1856 NH2 ARG A 54 4.371 -8.702 -7.096 1.00 0.00 N ATOM 0 H ARG A 54 4.012 -3.343 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 54 4.377 -6.024 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.441 -3.554 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.046 -5.015 -5.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.630 -4.975 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.495 -4.851 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.564 -7.205 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.187 -7.191 -5.084 1.00 0.00 H new ATOM 0 HE ARG A 54 3.264 -6.501 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.783 -8.935 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.792 -10.136 -5.157 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.556 -8.039 -7.849 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.786 -9.633 -7.123 1.00 0.00 H new ATOM 1870 N ASN A 55 6.557 -5.078 -4.585 1.00 0.00 N ATOM 1871 CA ASN A 55 7.933 -4.579 -4.837 1.00 0.00 C ATOM 1872 C ASN A 55 7.840 -3.156 -5.387 1.00 0.00 C ATOM 1873 O ASN A 55 6.983 -2.845 -6.191 1.00 0.00 O ATOM 1874 CB ASN A 55 8.624 -5.475 -5.867 1.00 0.00 C ATOM 1875 CG ASN A 55 9.003 -6.808 -5.219 1.00 0.00 C ATOM 1876 OD1 ASN A 55 8.677 -7.860 -5.731 1.00 0.00 O ATOM 1877 ND2 ASN A 55 9.686 -6.806 -4.107 1.00 0.00 N ATOM 0 H ASN A 55 6.322 -5.960 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 55 8.508 -4.589 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.962 -5.647 -6.716 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.515 -4.981 -6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.947 -7.689 -3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.959 -5.922 -3.678 1.00 0.00 H new ATOM 1884 N ARG A 56 8.707 -2.289 -4.952 1.00 0.00 N ATOM 1885 CA ARG A 56 8.666 -0.880 -5.437 1.00 0.00 C ATOM 1886 C ARG A 56 9.035 -0.830 -6.919 1.00 0.00 C ATOM 1887 O ARG A 56 9.986 -1.452 -7.350 1.00 0.00 O ATOM 1888 CB ARG A 56 9.679 -0.047 -4.651 1.00 0.00 C ATOM 1889 CG ARG A 56 9.314 -0.064 -3.166 1.00 0.00 C ATOM 1890 CD ARG A 56 10.236 0.891 -2.403 1.00 0.00 C ATOM 1891 NE ARG A 56 10.051 0.697 -0.939 1.00 0.00 N ATOM 1892 CZ ARG A 56 10.955 1.129 -0.101 1.00 0.00 C ATOM 1893 NH1 ARG A 56 12.033 1.716 -0.543 1.00 0.00 N ATOM 1894 NH2 ARG A 56 10.781 0.964 1.182 1.00 0.00 N ATOM 0 H ARG A 56 9.446 -2.494 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 56 7.661 -0.483 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.683 -0.447 -4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.688 0.978 -5.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.274 0.234 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.410 -1.074 -2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.275 0.706 -2.677 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.013 1.923 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 56 9.217 0.226 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.172 1.839 -1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.737 2.052 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.941 0.499 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.485 1.300 1.839 1.00 0.00 H new ATOM 1908 N LYS A 57 8.298 -0.095 -7.704 1.00 0.00 N ATOM 1909 CA LYS A 57 8.618 -0.012 -9.155 1.00 0.00 C ATOM 1910 C LYS A 57 10.066 0.439 -9.342 1.00 0.00 C ATOM 1911 O LYS A 57 10.829 0.514 -8.401 1.00 0.00 O ATOM 1912 CB LYS A 57 7.683 0.977 -9.833 1.00 0.00 C ATOM 1913 CG LYS A 57 7.829 2.345 -9.200 1.00 0.00 C ATOM 1914 CD LYS A 57 6.878 3.294 -9.908 1.00 0.00 C ATOM 1915 CE LYS A 57 6.974 4.672 -9.271 1.00 0.00 C ATOM 1916 NZ LYS A 57 6.251 5.672 -10.108 1.00 0.00 N ATOM 0 H LYS A 57 7.490 0.450 -7.404 1.00 0.00 H new ATOM 0 HA LYS A 57 8.488 -0.996 -9.605 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.910 1.034 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.652 0.635 -9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.599 2.299 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.856 2.698 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.127 3.353 -10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.856 2.920 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.548 4.649 -8.268 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.020 4.961 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.321 6.611 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.676 5.703 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.250 5.400 -10.186 1.00 0.00 H new ATOM 1930 N VAL A 58 10.450 0.745 -10.551 1.00 0.00 N ATOM 1931 CA VAL A 58 11.847 1.197 -10.792 1.00 0.00 C ATOM 1932 C VAL A 58 12.079 2.492 -10.018 1.00 0.00 C ATOM 1933 O VAL A 58 11.226 3.356 -9.977 1.00 0.00 O ATOM 1934 CB VAL A 58 12.046 1.467 -12.285 1.00 0.00 C ATOM 1935 CG1 VAL A 58 13.485 1.926 -12.535 1.00 0.00 C ATOM 1936 CG2 VAL A 58 11.767 0.190 -13.082 1.00 0.00 C ATOM 0 H VAL A 58 9.857 0.701 -11.380 1.00 0.00 H new ATOM 0 HA VAL A 58 12.547 0.428 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 58 11.356 2.248 -12.606 1.00 0.00 H new ATOM 0 HG11 VAL A 58 13.626 2.118 -13.599 1.00 0.00 H new ATOM 0 HG12 VAL A 58 13.678 2.839 -11.972 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.176 1.148 -12.212 1.00 0.00 H new ATOM 0 HG21 VAL A 58 11.910 0.386 -14.145 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.452 -0.595 -12.763 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.740 -0.131 -12.907 1.00 0.00 H new