USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 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 12 CYS SG : rot 160:sc= 0.542 USER MOD Set 1.2: A 15 CYS SG : rot -57:sc= -2.24! USER MOD Set 1.3: A 33 CYS SG : rot -133:sc= 0.0211 USER MOD Set 1.4: A 36 CYS SG : rot 154:sc= 0.202 USER MOD Set 1.5: A 52 LYS NZ :NH3+ -109:sc= -1.17! (180deg=-7!) USER MOD Set 2.1: A 20 THR OG1 : rot -123:sc= -0.346! USER MOD Set 2.2: A 34 ASN : amide:sc= -4.56! C(o=-4.9!,f=-8.7!) USER MOD Single : A 10 THR OG1 : rot 35:sc= 0.155 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -3.82! C(o=-3.8!,f=-4.7!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00911 K(o=-0.0091,f=-1.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.83! C(o=-2.8!,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= -9.27! C(o=-9.3!,f=-11!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -113:sc= -0.946 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.00112 (180deg=-0.251) USER MOD Single : A 60 ASN : amide:sc=-0.00368 X(o=-0.0037,f=0) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.832 11.034 31.831 1.00 0.00 N ATOM 956 CA THR A 10 11.414 10.730 31.476 1.00 0.00 C ATOM 957 C THR A 10 11.125 9.237 31.674 1.00 0.00 C ATOM 958 O THR A 10 11.751 8.384 31.078 1.00 0.00 O ATOM 959 CB THR A 10 11.170 11.118 30.012 1.00 0.00 C ATOM 960 OG1 THR A 10 11.499 12.490 29.830 1.00 0.00 O ATOM 961 CG2 THR A 10 9.701 10.894 29.652 1.00 0.00 C ATOM 0 HA THR A 10 10.749 11.301 32.124 1.00 0.00 H new ATOM 0 HB THR A 10 11.794 10.500 29.366 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.255 12.724 30.407 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.535 11.172 28.611 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.448 9.843 29.792 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.071 11.508 30.296 1.00 0.00 H new ATOM 969 N THR A 11 10.167 8.926 32.512 1.00 0.00 N ATOM 970 CA THR A 11 9.800 7.500 32.770 1.00 0.00 C ATOM 971 C THR A 11 8.279 7.391 32.893 1.00 0.00 C ATOM 972 O THR A 11 7.628 8.270 33.426 1.00 0.00 O ATOM 973 CB THR A 11 10.440 7.025 34.080 1.00 0.00 C ATOM 974 OG1 THR A 11 11.855 7.023 33.949 1.00 0.00 O ATOM 975 CG2 THR A 11 9.958 5.608 34.401 1.00 0.00 C ATOM 0 H THR A 11 9.617 9.608 33.034 1.00 0.00 H new ATOM 0 HA THR A 11 10.158 6.881 31.947 1.00 0.00 H new ATOM 0 HB THR A 11 10.152 7.700 34.886 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.261 6.721 34.788 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.413 5.271 35.332 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.873 5.608 34.507 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.244 4.935 33.593 1.00 0.00 H new ATOM 983 N CYS A 12 7.706 6.316 32.423 1.00 0.00 N ATOM 984 CA CYS A 12 6.229 6.156 32.538 1.00 0.00 C ATOM 985 C CYS A 12 5.887 5.858 33.996 1.00 0.00 C ATOM 986 O CYS A 12 6.163 4.788 34.503 1.00 0.00 O ATOM 987 CB CYS A 12 5.757 5.006 31.649 1.00 0.00 C ATOM 988 SG CYS A 12 3.976 5.174 31.394 1.00 0.00 S ATOM 0 H CYS A 12 8.194 5.545 31.967 1.00 0.00 H new ATOM 0 HA CYS A 12 5.730 7.070 32.216 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.280 5.027 30.693 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.984 4.048 32.116 1.00 0.00 H new ATOM 0 HG CYS A 12 3.624 4.504 30.337 1.00 0.00 H new ATOM 993 N THR A 13 5.267 6.790 34.659 1.00 0.00 N ATOM 994 CA THR A 13 4.897 6.579 36.085 1.00 0.00 C ATOM 995 C THR A 13 3.832 5.490 36.185 1.00 0.00 C ATOM 996 O THR A 13 3.495 5.046 37.263 1.00 0.00 O ATOM 997 CB THR A 13 4.332 7.876 36.674 1.00 0.00 C ATOM 998 OG1 THR A 13 3.306 8.364 35.823 1.00 0.00 O ATOM 999 CG2 THR A 13 5.434 8.930 36.804 1.00 0.00 C ATOM 0 H THR A 13 4.998 7.695 34.273 1.00 0.00 H new ATOM 0 HA THR A 13 5.787 6.280 36.638 1.00 0.00 H new ATOM 0 HB THR A 13 3.928 7.671 37.665 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.644 8.853 36.356 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.015 9.845 37.224 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.220 8.556 37.461 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.853 9.141 35.820 1.00 0.00 H new ATOM 1007 N ASN A 14 3.281 5.068 35.076 1.00 0.00 N ATOM 1008 CA ASN A 14 2.215 4.023 35.122 1.00 0.00 C ATOM 1009 C ASN A 14 2.806 2.641 34.837 1.00 0.00 C ATOM 1010 O ASN A 14 2.387 1.670 35.433 1.00 0.00 O ATOM 1011 CB ASN A 14 1.135 4.355 34.083 1.00 0.00 C ATOM 1012 CG ASN A 14 0.208 5.439 34.644 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.389 5.889 35.758 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.792 5.870 33.925 1.00 0.00 N ATOM 0 H ASN A 14 3.523 5.401 34.143 1.00 0.00 H new ATOM 0 HA ASN A 14 1.773 4.009 36.118 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.598 4.699 33.158 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.562 3.461 33.839 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.419 6.583 34.299 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.947 5.494 32.989 1.00 0.00 H new ATOM 1021 N CYS A 15 3.741 2.516 33.921 1.00 0.00 N ATOM 1022 CA CYS A 15 4.300 1.158 33.612 1.00 0.00 C ATOM 1023 C CYS A 15 5.831 1.196 33.552 1.00 0.00 C ATOM 1024 O CYS A 15 6.460 0.186 33.316 1.00 0.00 O ATOM 1025 CB CYS A 15 3.724 0.657 32.282 1.00 0.00 C ATOM 1026 SG CYS A 15 4.516 1.491 30.880 1.00 0.00 S ATOM 0 H CYS A 15 4.137 3.285 33.380 1.00 0.00 H new ATOM 0 HA CYS A 15 4.015 0.472 34.409 1.00 0.00 H new ATOM 0 HB2 CYS A 15 3.871 -0.420 32.200 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.649 0.835 32.256 1.00 0.00 H new ATOM 0 HG CYS A 15 4.363 2.777 30.997 1.00 0.00 H new ATOM 1031 N PHE A 16 6.433 2.332 33.796 1.00 0.00 N ATOM 1032 CA PHE A 16 7.928 2.434 33.797 1.00 0.00 C ATOM 1033 C PHE A 16 8.546 2.120 32.430 1.00 0.00 C ATOM 1034 O PHE A 16 9.753 2.092 32.301 1.00 0.00 O ATOM 1035 CB PHE A 16 8.523 1.471 34.832 1.00 0.00 C ATOM 1036 CG PHE A 16 7.859 1.685 36.169 1.00 0.00 C ATOM 1037 CD1 PHE A 16 8.165 2.828 36.912 1.00 0.00 C ATOM 1038 CD2 PHE A 16 6.943 0.748 36.667 1.00 0.00 C ATOM 1039 CE1 PHE A 16 7.559 3.043 38.154 1.00 0.00 C ATOM 1040 CE2 PHE A 16 6.335 0.962 37.911 1.00 0.00 C ATOM 1041 CZ PHE A 16 6.643 2.108 38.655 1.00 0.00 C ATOM 0 H PHE A 16 5.947 3.206 33.998 1.00 0.00 H new ATOM 0 HA PHE A 16 8.165 3.468 34.047 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.382 0.440 34.506 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.597 1.634 34.919 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.872 3.548 36.526 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.707 -0.136 36.094 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.796 3.928 38.726 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.628 0.242 38.297 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.175 2.271 39.614 1.00 0.00 H new ATOM 1051 N THR A 17 7.770 1.855 31.416 1.00 0.00 N ATOM 1052 CA THR A 17 8.391 1.515 30.101 1.00 0.00 C ATOM 1053 C THR A 17 9.128 2.725 29.516 1.00 0.00 C ATOM 1054 O THR A 17 8.627 3.833 29.504 1.00 0.00 O ATOM 1055 CB THR A 17 7.314 1.040 29.120 1.00 0.00 C ATOM 1056 OG1 THR A 17 7.947 0.410 28.015 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.483 2.225 28.619 1.00 0.00 C ATOM 0 H THR A 17 6.750 1.858 31.436 1.00 0.00 H new ATOM 0 HA THR A 17 9.113 0.714 30.261 1.00 0.00 H new ATOM 0 HB THR A 17 6.651 0.340 29.628 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.267 0.100 27.381 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.723 1.868 27.923 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.000 2.714 29.465 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.134 2.937 28.112 1.00 0.00 H new ATOM 1065 N GLN A 18 10.324 2.508 29.026 1.00 0.00 N ATOM 1066 CA GLN A 18 11.126 3.619 28.432 1.00 0.00 C ATOM 1067 C GLN A 18 11.028 3.574 26.899 1.00 0.00 C ATOM 1068 O GLN A 18 11.422 4.500 26.216 1.00 0.00 O ATOM 1069 CB GLN A 18 12.590 3.454 28.857 1.00 0.00 C ATOM 1070 CG GLN A 18 13.429 4.597 28.282 1.00 0.00 C ATOM 1071 CD GLN A 18 14.837 4.555 28.874 1.00 0.00 C ATOM 1072 OE1 GLN A 18 15.082 3.878 29.854 1.00 0.00 O ATOM 1073 NE2 GLN A 18 15.784 5.247 28.302 1.00 0.00 N ATOM 0 H GLN A 18 10.783 1.597 29.013 1.00 0.00 H new ATOM 0 HA GLN A 18 10.741 4.577 28.783 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.664 3.448 29.944 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.974 2.496 28.506 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.479 4.513 27.196 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.959 5.554 28.507 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.576 5.814 27.480 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.732 5.221 28.677 1.00 0.00 H new ATOM 1082 N THR A 19 10.502 2.509 26.347 1.00 0.00 N ATOM 1083 CA THR A 19 10.385 2.412 24.857 1.00 0.00 C ATOM 1084 C THR A 19 8.963 2.787 24.424 1.00 0.00 C ATOM 1085 O THR A 19 8.001 2.140 24.792 1.00 0.00 O ATOM 1086 CB THR A 19 10.675 0.969 24.428 1.00 0.00 C ATOM 1087 OG1 THR A 19 11.958 0.583 24.904 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.645 0.864 22.902 1.00 0.00 C ATOM 0 H THR A 19 10.149 1.703 26.862 1.00 0.00 H new ATOM 0 HA THR A 19 11.097 3.093 24.391 1.00 0.00 H new ATOM 0 HB THR A 19 9.915 0.310 24.848 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.144 -0.340 24.632 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.852 -0.164 22.604 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.661 1.157 22.536 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.401 1.524 22.477 1.00 0.00 H new ATOM 1096 N THR A 20 8.823 3.829 23.644 1.00 0.00 N ATOM 1097 CA THR A 20 7.464 4.247 23.190 1.00 0.00 C ATOM 1098 C THR A 20 7.591 5.221 22.008 1.00 0.00 C ATOM 1099 O THR A 20 8.508 6.018 21.969 1.00 0.00 O ATOM 1100 CB THR A 20 6.750 4.952 24.344 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.481 5.414 23.906 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.588 6.140 24.819 1.00 0.00 C ATOM 0 H THR A 20 9.591 4.407 23.303 1.00 0.00 H new ATOM 0 HA THR A 20 6.897 3.370 22.878 1.00 0.00 H new ATOM 0 HB THR A 20 6.618 4.250 25.168 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.417 6.381 24.052 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.077 6.640 25.641 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.561 5.786 25.159 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.724 6.842 23.996 1.00 0.00 H new ATOM 1110 N PRO A 21 6.685 5.187 21.058 1.00 0.00 N ATOM 1111 CA PRO A 21 6.728 6.118 19.891 1.00 0.00 C ATOM 1112 C PRO A 21 6.173 7.507 20.233 1.00 0.00 C ATOM 1113 O PRO A 21 6.384 8.462 19.512 1.00 0.00 O ATOM 1114 CB PRO A 21 5.824 5.425 18.872 1.00 0.00 C ATOM 1115 CG PRO A 21 4.793 4.747 19.710 1.00 0.00 C ATOM 1116 CD PRO A 21 5.533 4.267 20.964 1.00 0.00 C ATOM 0 HA PRO A 21 7.745 6.296 19.541 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.373 6.142 18.186 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.380 4.710 18.266 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.986 5.432 19.969 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.342 3.910 19.176 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.900 4.324 21.850 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.854 3.230 20.868 1.00 0.00 H new ATOM 1124 N LEU A 22 5.439 7.623 21.307 1.00 0.00 N ATOM 1125 CA LEU A 22 4.841 8.943 21.663 1.00 0.00 C ATOM 1126 C LEU A 22 4.677 9.054 23.176 1.00 0.00 C ATOM 1127 O LEU A 22 4.031 8.244 23.811 1.00 0.00 O ATOM 1128 CB LEU A 22 3.475 9.038 20.975 1.00 0.00 C ATOM 1129 CG LEU A 22 2.641 10.219 21.495 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.389 11.547 21.325 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.351 10.261 20.680 1.00 0.00 C ATOM 0 H LEU A 22 5.228 6.862 21.953 1.00 0.00 H new ATOM 0 HA LEU A 22 5.489 9.755 21.334 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.619 9.143 19.900 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.925 8.110 21.134 1.00 0.00 H new ATOM 0 HG LEU A 22 2.441 10.084 22.558 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.772 12.363 21.702 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.325 11.511 21.883 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.602 11.712 20.269 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.731 11.090 21.022 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.591 10.399 19.626 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.808 9.325 20.809 1.00 0.00 H new ATOM 1143 N TRP A 23 5.255 10.071 23.747 1.00 0.00 N ATOM 1144 CA TRP A 23 5.134 10.263 25.217 1.00 0.00 C ATOM 1145 C TRP A 23 3.822 10.987 25.505 1.00 0.00 C ATOM 1146 O TRP A 23 3.558 12.056 24.991 1.00 0.00 O ATOM 1147 CB TRP A 23 6.314 11.089 25.736 1.00 0.00 C ATOM 1148 CG TRP A 23 7.516 10.210 25.872 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.605 10.236 25.070 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.760 9.168 26.859 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.505 9.282 25.509 1.00 0.00 N ATOM 1152 CE2 TRP A 23 9.029 8.597 26.609 1.00 0.00 C ATOM 1153 CE3 TRP A 23 7.009 8.674 27.938 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.534 7.566 27.405 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.511 7.639 28.741 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.772 7.085 28.475 1.00 0.00 C ATOM 0 H TRP A 23 5.806 10.778 23.260 1.00 0.00 H new ATOM 0 HA TRP A 23 5.142 9.296 25.720 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.526 11.910 25.051 1.00 0.00 H new ATOM 0 HB3 TRP A 23 6.065 11.534 26.699 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.748 10.894 24.225 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.410 9.106 25.073 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.037 9.094 28.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.506 7.143 27.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.924 7.267 29.568 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.154 6.288 29.096 1.00 0.00 H new ATOM 1167 N ARG A 24 2.995 10.392 26.320 1.00 0.00 N ATOM 1168 CA ARG A 24 1.680 11.001 26.660 1.00 0.00 C ATOM 1169 C ARG A 24 1.763 11.558 28.080 1.00 0.00 C ATOM 1170 O ARG A 24 2.724 11.332 28.789 1.00 0.00 O ATOM 1171 CB ARG A 24 0.598 9.918 26.582 1.00 0.00 C ATOM 1172 CG ARG A 24 0.532 9.329 25.165 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.262 10.254 24.233 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.452 9.588 22.912 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.385 10.002 22.098 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.201 10.950 22.468 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.504 9.452 20.918 1.00 0.00 N ATOM 0 H ARG A 24 3.179 9.496 26.771 1.00 0.00 H new ATOM 0 HA ARG A 24 1.432 11.803 25.965 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.813 9.128 27.302 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.369 10.341 26.852 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.541 9.190 24.776 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.064 8.345 25.196 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.230 10.490 24.676 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.267 11.198 24.103 1.00 0.00 H new ATOM 0 HE ARG A 24 0.148 8.808 22.644 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.110 11.368 23.394 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.930 11.273 21.831 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.870 8.704 20.638 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.231 9.771 20.278 1.00 0.00 H new ATOM 1191 N ARG A 25 0.763 12.288 28.493 1.00 0.00 N ATOM 1192 CA ARG A 25 0.764 12.881 29.863 1.00 0.00 C ATOM 1193 C ARG A 25 -0.573 12.597 30.542 1.00 0.00 C ATOM 1194 O ARG A 25 -1.575 12.362 29.899 1.00 0.00 O ATOM 1195 CB ARG A 25 0.964 14.396 29.759 1.00 0.00 C ATOM 1196 CG ARG A 25 -0.101 15.002 28.839 1.00 0.00 C ATOM 1197 CD ARG A 25 0.018 16.524 28.873 1.00 0.00 C ATOM 1198 NE ARG A 25 -0.400 17.007 30.216 1.00 0.00 N ATOM 1199 CZ ARG A 25 -0.116 18.223 30.588 1.00 0.00 C ATOM 1200 NH1 ARG A 25 0.520 19.018 29.773 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -0.463 18.639 31.774 1.00 0.00 N ATOM 0 H ARG A 25 -0.063 12.502 27.935 1.00 0.00 H new ATOM 0 HA ARG A 25 1.572 12.442 30.448 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.902 14.848 30.749 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.959 14.614 29.371 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.030 14.637 27.820 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.096 14.695 29.162 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.044 16.827 28.665 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.608 16.969 28.100 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.909 16.387 30.846 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.793 18.687 28.848 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.744 19.971 30.061 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.956 18.013 32.410 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.241 19.591 32.066 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.588 12.630 31.846 1.00 0.00 N ATOM 1216 CA ASN A 26 -1.849 12.381 32.600 1.00 0.00 C ATOM 1217 C ASN A 26 -2.470 13.739 32.958 1.00 0.00 C ATOM 1218 O ASN A 26 -1.751 14.653 33.304 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.515 11.630 33.890 1.00 0.00 C ATOM 1220 CG ASN A 26 -2.789 11.045 34.500 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.135 9.907 34.251 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.507 11.786 35.298 1.00 0.00 N ATOM 0 H ASN A 26 0.228 12.821 32.427 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.543 11.792 32.000 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.802 10.832 33.682 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.039 12.305 34.601 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.359 11.410 35.713 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.216 12.741 35.507 1.00 0.00 H new ATOM 1229 N PRO A 27 -3.772 13.896 32.899 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.420 15.193 33.258 1.00 0.00 C ATOM 1231 C PRO A 27 -3.859 15.776 34.561 1.00 0.00 C ATOM 1232 O PRO A 27 -4.145 16.900 34.926 1.00 0.00 O ATOM 1233 CB PRO A 27 -5.899 14.824 33.419 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.100 13.656 32.507 1.00 0.00 C ATOM 1235 CD PRO A 27 -4.772 12.890 32.487 1.00 0.00 C ATOM 0 HA PRO A 27 -4.246 15.962 32.505 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.132 14.565 34.452 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.547 15.657 33.145 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.910 13.020 32.863 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.372 13.988 31.505 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.790 12.042 33.172 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.555 12.494 31.495 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.061 15.016 35.265 1.00 0.00 N ATOM 1244 CA GLU A 28 -2.473 15.505 36.546 1.00 0.00 C ATOM 1245 C GLU A 28 -1.052 16.010 36.302 1.00 0.00 C ATOM 1246 O GLU A 28 -0.336 16.351 37.222 1.00 0.00 O ATOM 1247 CB GLU A 28 -2.420 14.347 37.539 1.00 0.00 C ATOM 1248 CG GLU A 28 -3.842 13.944 37.926 1.00 0.00 C ATOM 1249 CD GLU A 28 -3.781 12.786 38.921 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -2.692 12.279 39.139 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -4.819 12.428 39.452 1.00 0.00 O ATOM 0 H GLU A 28 -2.789 14.068 35.004 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.085 16.316 36.941 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.897 13.499 37.097 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.859 14.640 38.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.366 14.792 38.368 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.403 13.649 37.040 1.00 0.00 H new ATOM 1258 N GLY A 29 -0.636 16.060 35.068 1.00 0.00 N ATOM 1259 CA GLY A 29 0.738 16.540 34.762 1.00 0.00 C ATOM 1260 C GLY A 29 1.752 15.405 34.930 1.00 0.00 C ATOM 1261 O GLY A 29 2.945 15.631 34.896 1.00 0.00 O ATOM 0 H GLY A 29 -1.191 15.788 34.256 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.777 16.923 33.742 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.996 17.367 35.423 1.00 0.00 H new ATOM 1265 N GLN A 30 1.306 14.184 35.098 1.00 0.00 N ATOM 1266 CA GLN A 30 2.277 13.056 35.243 1.00 0.00 C ATOM 1267 C GLN A 30 2.587 12.495 33.847 1.00 0.00 C ATOM 1268 O GLN A 30 1.707 12.400 33.014 1.00 0.00 O ATOM 1269 CB GLN A 30 1.682 11.946 36.116 1.00 0.00 C ATOM 1270 CG GLN A 30 1.410 12.480 37.524 1.00 0.00 C ATOM 1271 CD GLN A 30 0.848 11.355 38.395 1.00 0.00 C ATOM 1272 OE1 GLN A 30 -0.257 10.897 38.176 1.00 0.00 O ATOM 1273 NE2 GLN A 30 1.563 10.887 39.383 1.00 0.00 N ATOM 0 H GLN A 30 0.321 13.921 35.141 1.00 0.00 H new ATOM 0 HA GLN A 30 3.188 13.421 35.718 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.757 11.579 35.672 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.370 11.102 36.164 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.330 12.868 37.961 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.703 13.309 37.480 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.490 11.270 39.568 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.194 10.138 39.970 1.00 0.00 H new ATOM 1282 N PRO A 31 3.815 12.128 33.578 1.00 0.00 N ATOM 1283 CA PRO A 31 4.214 11.578 32.246 1.00 0.00 C ATOM 1284 C PRO A 31 3.756 10.124 32.038 1.00 0.00 C ATOM 1285 O PRO A 31 3.959 9.272 32.880 1.00 0.00 O ATOM 1286 CB PRO A 31 5.744 11.673 32.286 1.00 0.00 C ATOM 1287 CG PRO A 31 6.081 11.482 33.726 1.00 0.00 C ATOM 1288 CD PRO A 31 4.968 12.190 34.499 1.00 0.00 C ATOM 0 HA PRO A 31 3.756 12.122 31.420 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.208 10.908 31.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.094 12.638 31.919 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.126 10.424 33.982 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.056 11.909 33.962 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.754 11.690 35.444 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.237 13.219 34.737 1.00 0.00 H new ATOM 1296 N LEU A 32 3.158 9.838 30.904 1.00 0.00 N ATOM 1297 CA LEU A 32 2.695 8.445 30.598 1.00 0.00 C ATOM 1298 C LEU A 32 3.331 8.029 29.273 1.00 0.00 C ATOM 1299 O LEU A 32 3.732 8.871 28.495 1.00 0.00 O ATOM 1300 CB LEU A 32 1.173 8.398 30.422 1.00 0.00 C ATOM 1301 CG LEU A 32 0.450 8.876 31.683 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.059 8.759 31.456 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.852 8.017 32.889 1.00 0.00 C ATOM 0 H LEU A 32 2.969 10.519 30.169 1.00 0.00 H new ATOM 0 HA LEU A 32 2.977 7.785 31.418 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.884 9.022 29.576 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.864 7.379 30.187 1.00 0.00 H new ATOM 0 HG LEU A 32 0.724 9.911 31.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.588 9.096 32.347 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.348 9.377 30.606 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.317 7.720 31.253 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.329 8.370 33.778 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.585 6.977 32.700 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.928 8.093 33.047 1.00 0.00 H new ATOM 1315 N CYS A 33 3.400 6.758 28.966 1.00 0.00 N ATOM 1316 CA CYS A 33 3.980 6.364 27.651 1.00 0.00 C ATOM 1317 C CYS A 33 2.870 6.404 26.602 1.00 0.00 C ATOM 1318 O CYS A 33 2.007 7.254 26.634 1.00 0.00 O ATOM 1319 CB CYS A 33 4.598 4.961 27.719 1.00 0.00 C ATOM 1320 SG CYS A 33 3.331 3.706 28.020 1.00 0.00 S ATOM 0 H CYS A 33 3.085 5.990 29.559 1.00 0.00 H new ATOM 0 HA CYS A 33 4.775 7.060 27.383 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.116 4.743 26.785 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.344 4.927 28.513 1.00 0.00 H new ATOM 0 HG CYS A 33 3.728 2.906 28.965 1.00 0.00 H new ATOM 1325 N ASN A 34 2.885 5.500 25.669 1.00 0.00 N ATOM 1326 CA ASN A 34 1.832 5.504 24.617 1.00 0.00 C ATOM 1327 C ASN A 34 0.540 4.847 25.114 1.00 0.00 C ATOM 1328 O ASN A 34 -0.483 5.486 25.262 1.00 0.00 O ATOM 1329 CB ASN A 34 2.347 4.732 23.402 1.00 0.00 C ATOM 1330 CG ASN A 34 2.989 3.416 23.858 1.00 0.00 C ATOM 1331 OD1 ASN A 34 2.308 2.446 24.121 1.00 0.00 O ATOM 1332 ND2 ASN A 34 4.284 3.339 23.961 1.00 0.00 N ATOM 0 H ASN A 34 3.580 4.758 25.587 1.00 0.00 H new ATOM 0 HA ASN A 34 1.610 6.539 24.356 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.526 4.528 22.714 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.076 5.334 22.859 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.721 2.467 24.261 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.862 4.150 23.742 1.00 0.00 H new ATOM 1339 N ALA A 35 0.574 3.561 25.304 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.640 2.804 25.713 1.00 0.00 C ATOM 1341 C ALA A 35 -1.211 3.277 27.055 1.00 0.00 C ATOM 1342 O ALA A 35 -2.410 3.313 27.229 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.277 1.325 25.799 1.00 0.00 C ATOM 0 H ALA A 35 1.411 2.989 25.191 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.415 2.977 24.966 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.155 0.752 26.098 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.069 0.978 24.825 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.515 1.187 26.535 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.396 3.615 28.014 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.962 4.049 29.327 1.00 0.00 C ATOM 1351 C CYS A 36 -1.879 5.259 29.132 1.00 0.00 C ATOM 1352 O CYS A 36 -3.037 5.237 29.496 1.00 0.00 O ATOM 1353 CB CYS A 36 0.167 4.440 30.278 1.00 0.00 C ATOM 1354 SG CYS A 36 1.044 2.963 30.839 1.00 0.00 S ATOM 0 H CYS A 36 0.622 3.611 27.951 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.531 3.220 29.747 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.860 5.115 29.775 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.238 4.979 31.134 1.00 0.00 H new ATOM 0 HG CYS A 36 2.265 3.278 31.157 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.371 6.315 28.558 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.218 7.520 28.341 1.00 0.00 C ATOM 1361 C GLY A 37 -3.408 7.162 27.449 1.00 0.00 C ATOM 1362 O GLY A 37 -4.537 7.507 27.736 1.00 0.00 O ATOM 0 H GLY A 37 -0.408 6.395 28.231 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.571 7.905 29.298 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.629 8.311 27.877 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.167 6.472 26.369 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.282 6.090 25.457 1.00 0.00 C ATOM 1368 C LEU A 38 -5.254 5.141 26.164 1.00 0.00 C ATOM 1369 O LEU A 38 -6.458 5.269 26.067 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.697 5.345 24.257 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.812 6.277 23.421 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.944 5.433 22.485 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.682 7.225 22.584 1.00 0.00 C ATOM 0 H LEU A 38 -2.242 6.155 26.077 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.809 6.994 25.150 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.112 4.492 24.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.503 4.950 23.639 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.183 6.867 24.088 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.311 6.088 21.886 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.318 4.763 23.075 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.584 4.846 21.826 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.042 7.882 21.995 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.317 6.642 21.916 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.306 7.825 23.246 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.721 4.176 26.856 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.575 3.180 27.562 1.00 0.00 C ATOM 1387 C PHE A 39 -6.294 3.806 28.763 1.00 0.00 C ATOM 1388 O PHE A 39 -7.465 3.575 28.984 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.694 2.031 28.055 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.554 1.020 28.772 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.819 1.199 30.131 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -6.096 -0.080 28.091 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.624 0.286 30.817 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.904 -0.994 28.778 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.167 -0.812 30.140 1.00 0.00 C ATOM 0 H PHE A 39 -3.717 4.032 26.965 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.329 2.819 26.862 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.184 1.561 27.214 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.922 2.410 28.725 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.400 2.046 30.654 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.891 -0.221 27.040 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.827 0.427 31.868 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.325 -1.841 28.256 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.789 -1.519 30.669 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.592 4.552 29.567 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.231 5.138 30.783 1.00 0.00 C ATOM 1407 C LEU A 40 -7.363 6.091 30.388 1.00 0.00 C ATOM 1408 O LEU A 40 -8.468 5.995 30.885 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.163 5.882 31.593 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.664 6.172 33.014 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -5.781 4.869 33.829 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.666 7.116 33.693 1.00 0.00 C ATOM 0 H LEU A 40 -4.607 4.783 29.438 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.661 4.341 31.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.252 5.285 31.638 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.907 6.817 31.094 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.652 6.630 32.964 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.138 5.099 34.833 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.484 4.195 33.339 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.804 4.390 33.892 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.004 7.335 34.706 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.685 6.642 33.732 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.598 8.044 33.125 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.106 7.012 29.503 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.178 7.959 29.086 1.00 0.00 C ATOM 1426 C LYS A 41 -9.334 7.202 28.422 1.00 0.00 C ATOM 1427 O LYS A 41 -10.492 7.444 28.701 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.589 8.974 28.103 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.679 9.959 27.669 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.040 11.237 27.117 1.00 0.00 C ATOM 1431 CE LYS A 41 -7.265 10.924 25.837 1.00 0.00 C ATOM 1432 NZ LYS A 41 -6.951 12.196 25.126 1.00 0.00 N ATOM 0 H LYS A 41 -6.202 7.151 29.051 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.565 8.474 29.965 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.764 9.511 28.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.182 8.459 27.233 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.312 9.502 26.909 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.321 10.200 28.516 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.811 11.980 26.912 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.370 11.669 27.861 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.345 10.392 26.077 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.853 10.270 25.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.424 11.986 24.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.836 12.687 24.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.374 12.804 25.741 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.024 6.305 27.524 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.095 5.547 26.811 1.00 0.00 C ATOM 1448 C LEU A 42 -10.813 4.579 27.762 1.00 0.00 C ATOM 1449 O LEU A 42 -12.013 4.408 27.678 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.477 4.761 25.645 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.009 5.718 24.537 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.263 4.916 23.465 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.211 6.438 23.899 1.00 0.00 C ATOM 0 H LEU A 42 -8.071 6.063 27.252 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.827 6.260 26.432 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.634 4.171 26.003 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.209 4.060 25.243 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.348 6.468 24.971 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.928 5.588 22.675 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.400 4.424 23.913 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.930 4.164 23.043 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.859 7.111 23.117 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.888 5.702 23.466 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.738 7.012 24.661 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.110 3.918 28.646 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.796 2.948 29.559 1.00 0.00 C ATOM 1467 C HIS A 43 -11.317 3.662 30.811 1.00 0.00 C ATOM 1468 O HIS A 43 -12.416 3.405 31.262 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.810 1.859 29.979 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.498 0.985 28.795 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.751 1.436 27.720 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.827 -0.315 28.507 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.655 0.423 26.841 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.293 -0.669 27.271 1.00 0.00 N ATOM 0 H HIS A 43 -9.102 4.004 28.776 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.638 2.506 29.027 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.895 2.310 30.364 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.234 1.260 30.785 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.347 2.367 27.614 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.411 -0.965 29.142 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.126 0.485 25.901 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.559 4.564 31.371 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.038 5.297 32.578 1.00 0.00 C ATOM 1484 C GLY A 44 -11.187 4.351 33.770 1.00 0.00 C ATOM 1485 O GLY A 44 -11.719 4.726 34.795 1.00 0.00 O ATOM 0 H GLY A 44 -9.628 4.826 31.045 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.336 6.093 32.827 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.996 5.771 32.364 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.720 3.136 33.658 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.832 2.185 34.804 1.00 0.00 C ATOM 1491 C VAL A 45 -9.546 1.375 34.922 1.00 0.00 C ATOM 1492 O VAL A 45 -8.936 0.993 33.943 1.00 0.00 O ATOM 1493 CB VAL A 45 -12.015 1.240 34.597 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.322 2.030 34.695 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.921 0.591 33.216 1.00 0.00 C ATOM 0 H VAL A 45 -10.267 2.761 32.825 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.992 2.754 35.720 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.995 0.466 35.364 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.166 1.356 34.547 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.395 2.493 35.679 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.337 2.804 33.928 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.766 -0.082 33.072 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.938 1.365 32.448 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.991 0.027 33.142 1.00 0.00 H new ATOM 1505 N VAL A 46 -9.134 1.125 36.129 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.886 0.349 36.361 1.00 0.00 C ATOM 1507 C VAL A 46 -8.014 -1.051 35.753 1.00 0.00 C ATOM 1508 O VAL A 46 -9.055 -1.671 35.815 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.648 0.241 37.868 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.293 1.619 38.427 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.919 -0.271 38.551 1.00 0.00 C ATOM 0 H VAL A 46 -9.614 1.428 36.976 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.046 0.856 35.887 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.828 -0.452 38.057 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.123 1.543 39.501 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.389 1.987 37.942 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.114 2.311 38.237 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.749 -0.348 39.625 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.738 0.423 38.362 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.176 -1.253 38.153 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.954 -1.554 35.175 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.994 -2.920 34.570 1.00 0.00 C ATOM 1523 C ARG A 47 -5.562 -3.489 34.603 1.00 0.00 C ATOM 1524 O ARG A 47 -4.621 -2.769 34.334 1.00 0.00 O ATOM 1525 CB ARG A 47 -7.499 -2.807 33.120 1.00 0.00 C ATOM 1526 CG ARG A 47 -8.053 -4.152 32.626 1.00 0.00 C ATOM 1527 CD ARG A 47 -8.814 -3.965 31.309 1.00 0.00 C ATOM 1528 NE ARG A 47 -9.643 -5.179 31.047 1.00 0.00 N ATOM 1529 CZ ARG A 47 -10.613 -5.145 30.170 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -10.931 -4.029 29.574 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -11.285 -6.231 29.904 1.00 0.00 N ATOM 0 H ARG A 47 -6.057 -1.075 35.095 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.664 -3.580 35.120 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.276 -2.045 33.060 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.685 -2.484 32.471 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.236 -4.859 32.484 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.716 -4.578 33.379 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.449 -3.081 31.364 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -8.114 -3.804 30.490 1.00 0.00 H new ATOM 0 HE ARG A 47 -9.451 -6.042 31.556 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.422 -3.172 29.790 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.689 -4.013 28.892 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.054 -7.103 30.379 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.042 -6.208 29.221 1.00 0.00 H new ATOM 1545 N PRO A 48 -5.377 -4.750 34.933 1.00 0.00 N ATOM 1546 CA PRO A 48 -4.027 -5.379 35.001 1.00 0.00 C ATOM 1547 C PRO A 48 -3.003 -4.779 34.034 1.00 0.00 C ATOM 1548 O PRO A 48 -3.022 -5.041 32.848 1.00 0.00 O ATOM 1549 CB PRO A 48 -4.329 -6.827 34.630 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.669 -7.093 35.242 1.00 0.00 C ATOM 1551 CD PRO A 48 -6.410 -5.743 35.286 1.00 0.00 C ATOM 0 HA PRO A 48 -3.566 -5.235 35.978 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.351 -6.965 33.549 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.571 -7.505 35.022 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.226 -7.821 34.653 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.562 -7.509 36.244 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.240 -5.722 34.580 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.827 -5.550 36.274 1.00 0.00 H new ATOM 1559 N LEU A 49 -2.085 -4.006 34.544 1.00 0.00 N ATOM 1560 CA LEU A 49 -1.037 -3.427 33.658 1.00 0.00 C ATOM 1561 C LEU A 49 -0.259 -4.585 33.031 1.00 0.00 C ATOM 1562 O LEU A 49 0.496 -4.410 32.095 1.00 0.00 O ATOM 1563 CB LEU A 49 -0.077 -2.553 34.469 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.829 -1.394 35.137 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.136 -0.647 36.060 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -1.362 -0.418 34.076 1.00 0.00 C ATOM 0 H LEU A 49 -2.015 -3.751 35.529 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.502 -2.809 32.890 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.418 -3.157 35.229 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.703 -2.159 33.817 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.670 -1.794 35.704 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.387 0.180 36.541 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.513 -1.330 36.821 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.970 -0.258 35.476 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.893 0.398 34.566 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.528 -0.015 33.501 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.043 -0.944 33.407 1.00 0.00 H new ATOM 1578 N SER A 50 -0.441 -5.769 33.556 1.00 0.00 N ATOM 1579 CA SER A 50 0.278 -6.959 33.020 1.00 0.00 C ATOM 1580 C SER A 50 -0.054 -7.125 31.538 1.00 0.00 C ATOM 1581 O SER A 50 0.557 -7.904 30.833 1.00 0.00 O ATOM 1582 CB SER A 50 -0.172 -8.203 33.788 1.00 0.00 C ATOM 1583 OG SER A 50 -1.485 -8.563 33.380 1.00 0.00 O ATOM 0 H SER A 50 -1.063 -5.962 34.341 1.00 0.00 H new ATOM 0 HA SER A 50 1.353 -6.826 33.137 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.517 -9.027 33.602 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.154 -8.008 34.860 1.00 0.00 H new ATOM 0 HG SER A 50 -1.773 -9.361 33.871 1.00 0.00 H new ATOM 1589 N LEU A 51 -1.009 -6.386 31.051 1.00 0.00 N ATOM 1590 CA LEU A 51 -1.364 -6.500 29.611 1.00 0.00 C ATOM 1591 C LEU A 51 -0.235 -5.870 28.785 1.00 0.00 C ATOM 1592 O LEU A 51 -0.052 -6.182 27.626 1.00 0.00 O ATOM 1593 CB LEU A 51 -2.683 -5.760 29.344 1.00 0.00 C ATOM 1594 CG LEU A 51 -3.847 -6.426 30.100 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -5.084 -5.521 30.018 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -4.190 -7.788 29.478 1.00 0.00 C ATOM 0 H LEU A 51 -1.557 -5.711 31.585 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.489 -7.547 29.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.590 -4.719 29.654 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.893 -5.756 28.274 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.548 -6.574 31.138 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.912 -5.987 30.552 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.859 -4.555 30.470 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.361 -5.377 28.974 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.015 -8.241 30.027 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.480 -7.650 28.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.319 -8.441 29.528 1.00 0.00 H new ATOM 1608 N LYS A 52 0.533 -4.993 29.380 1.00 0.00 N ATOM 1609 CA LYS A 52 1.658 -4.350 28.636 1.00 0.00 C ATOM 1610 C LYS A 52 2.587 -5.411 28.043 1.00 0.00 C ATOM 1611 O LYS A 52 2.622 -6.546 28.476 1.00 0.00 O ATOM 1612 CB LYS A 52 2.476 -3.462 29.579 1.00 0.00 C ATOM 1613 CG LYS A 52 3.648 -2.851 28.798 1.00 0.00 C ATOM 1614 CD LYS A 52 4.311 -1.744 29.612 1.00 0.00 C ATOM 1615 CE LYS A 52 5.118 -2.350 30.764 1.00 0.00 C ATOM 1616 NZ LYS A 52 5.966 -1.294 31.381 1.00 0.00 N ATOM 0 H LYS A 52 0.429 -4.694 30.350 1.00 0.00 H new ATOM 0 HA LYS A 52 1.229 -3.749 27.834 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.848 -2.674 29.993 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.848 -4.048 30.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.379 -3.625 28.562 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.291 -2.450 27.850 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.965 -1.152 28.971 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.553 -1.067 30.005 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.446 -2.774 31.510 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.742 -3.165 30.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.964 -1.467 31.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.680 -0.363 31.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.847 -1.313 32.414 1.00 0.00 H new ATOM 1630 N THR A 53 3.359 -5.027 27.061 1.00 0.00 N ATOM 1631 CA THR A 53 4.320 -5.976 26.429 1.00 0.00 C ATOM 1632 C THR A 53 5.596 -5.233 26.042 1.00 0.00 C ATOM 1633 O THR A 53 5.574 -4.066 25.703 1.00 0.00 O ATOM 1634 CB THR A 53 3.705 -6.572 25.168 1.00 0.00 C ATOM 1635 OG1 THR A 53 4.733 -7.139 24.372 1.00 0.00 O ATOM 1636 CG2 THR A 53 2.984 -5.479 24.372 1.00 0.00 C ATOM 0 H THR A 53 3.364 -4.086 26.666 1.00 0.00 H new ATOM 0 HA THR A 53 4.550 -6.769 27.141 1.00 0.00 H new ATOM 0 HB THR A 53 2.986 -7.343 25.445 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.819 -6.631 23.538 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.547 -5.912 23.472 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.195 -5.043 24.985 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.696 -4.703 24.092 1.00 0.00 H new ATOM 1644 N ASP A 54 6.711 -5.903 26.094 1.00 0.00 N ATOM 1645 CA ASP A 54 8.001 -5.240 25.734 1.00 0.00 C ATOM 1646 C ASP A 54 8.229 -5.360 24.225 1.00 0.00 C ATOM 1647 O ASP A 54 9.133 -4.762 23.676 1.00 0.00 O ATOM 1648 CB ASP A 54 9.147 -5.928 26.479 1.00 0.00 C ATOM 1649 CG ASP A 54 9.021 -5.655 27.979 1.00 0.00 C ATOM 1650 OD1 ASP A 54 8.425 -4.652 28.331 1.00 0.00 O ATOM 1651 OD2 ASP A 54 9.523 -6.455 28.751 1.00 0.00 O ATOM 0 H ASP A 54 6.789 -6.882 26.370 1.00 0.00 H new ATOM 0 HA ASP A 54 7.963 -4.187 26.014 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.124 -7.001 26.291 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.105 -5.561 26.112 1.00 0.00 H new ATOM 1656 N VAL A 55 7.398 -6.114 23.552 1.00 0.00 N ATOM 1657 CA VAL A 55 7.531 -6.273 22.074 1.00 0.00 C ATOM 1658 C VAL A 55 6.380 -5.521 21.405 1.00 0.00 C ATOM 1659 O VAL A 55 5.225 -5.695 21.744 1.00 0.00 O ATOM 1660 CB VAL A 55 7.478 -7.762 21.720 1.00 0.00 C ATOM 1661 CG1 VAL A 55 6.316 -8.433 22.453 1.00 0.00 C ATOM 1662 CG2 VAL A 55 7.302 -7.940 20.209 1.00 0.00 C ATOM 0 H VAL A 55 6.625 -6.632 23.969 1.00 0.00 H new ATOM 0 HA VAL A 55 8.481 -5.868 21.725 1.00 0.00 H new ATOM 0 HB VAL A 55 8.415 -8.227 22.028 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.286 -9.492 22.195 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.454 -8.325 23.529 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.379 -7.961 22.158 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.266 -9.003 19.970 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.374 -7.465 19.892 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.141 -7.479 19.688 1.00 0.00 H new ATOM 1672 N ILE A 56 6.695 -4.671 20.467 1.00 0.00 N ATOM 1673 CA ILE A 56 5.649 -3.875 19.765 1.00 0.00 C ATOM 1674 C ILE A 56 5.683 -4.200 18.274 1.00 0.00 C ATOM 1675 O ILE A 56 6.731 -4.279 17.666 1.00 0.00 O ATOM 1676 CB ILE A 56 5.934 -2.390 19.986 1.00 0.00 C ATOM 1677 CG1 ILE A 56 5.835 -2.100 21.487 1.00 0.00 C ATOM 1678 CG2 ILE A 56 4.905 -1.559 19.217 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.374 -0.703 21.804 1.00 0.00 C ATOM 0 H ILE A 56 7.649 -4.492 20.152 1.00 0.00 H new ATOM 0 HA ILE A 56 4.661 -4.119 20.157 1.00 0.00 H new ATOM 0 HB ILE A 56 6.930 -2.132 19.627 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.797 -2.177 21.810 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.398 -2.848 22.045 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.105 -0.499 19.372 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.973 -1.789 18.154 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.904 -1.796 19.577 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.295 -0.517 22.875 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.419 -0.639 21.501 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.793 0.043 21.262 1.00 0.00 H new ATOM 1691 N LYS A 57 4.541 -4.394 17.681 1.00 0.00 N ATOM 1692 CA LYS A 57 4.503 -4.719 16.228 1.00 0.00 C ATOM 1693 C LYS A 57 4.813 -3.449 15.428 1.00 0.00 C ATOM 1694 O LYS A 57 4.159 -2.439 15.581 1.00 0.00 O ATOM 1695 CB LYS A 57 3.099 -5.222 15.870 1.00 0.00 C ATOM 1696 CG LYS A 57 3.054 -5.720 14.417 1.00 0.00 C ATOM 1697 CD LYS A 57 3.532 -7.173 14.338 1.00 0.00 C ATOM 1698 CE LYS A 57 3.498 -7.645 12.885 1.00 0.00 C ATOM 1699 NZ LYS A 57 3.880 -9.083 12.831 1.00 0.00 N ATOM 0 H LYS A 57 3.631 -4.342 18.139 1.00 0.00 H new ATOM 0 HA LYS A 57 5.239 -5.488 15.992 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.813 -6.029 16.545 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.374 -4.420 16.007 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.038 -5.643 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.683 -5.089 13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.544 -7.256 14.734 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.896 -7.810 14.953 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.501 -7.505 12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.183 -7.051 12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.859 -9.411 11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.839 -9.202 13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.209 -9.642 13.396 1.00 0.00 H new ATOM 1713 N LYS A 58 5.805 -3.489 14.577 1.00 0.00 N ATOM 1714 CA LYS A 58 6.151 -2.276 13.776 1.00 0.00 C ATOM 1715 C LYS A 58 5.191 -2.149 12.589 1.00 0.00 C ATOM 1716 O LYS A 58 5.014 -3.080 11.826 1.00 0.00 O ATOM 1717 CB LYS A 58 7.580 -2.416 13.235 1.00 0.00 C ATOM 1718 CG LYS A 58 8.589 -2.564 14.381 1.00 0.00 C ATOM 1719 CD LYS A 58 8.753 -1.235 15.129 1.00 0.00 C ATOM 1720 CE LYS A 58 9.969 -1.316 16.057 1.00 0.00 C ATOM 1721 NZ LYS A 58 9.780 -2.420 17.040 1.00 0.00 N ATOM 0 H LYS A 58 6.389 -4.306 14.402 1.00 0.00 H new ATOM 0 HA LYS A 58 6.072 -1.394 14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.641 -3.284 12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.832 -1.543 12.634 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.253 -3.337 15.072 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.552 -2.887 13.986 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.879 -0.419 14.418 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.855 -1.018 15.707 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.873 -1.487 15.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.102 -0.369 16.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.488 -2.336 17.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.826 -2.360 17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.894 -3.336 16.560 1.00 0.00 H new ATOM 1735 N ARG A 59 4.582 -1.002 12.409 1.00 0.00 N ATOM 1736 CA ARG A 59 3.645 -0.819 11.258 1.00 0.00 C ATOM 1737 C ARG A 59 4.384 -0.104 10.123 1.00 0.00 C ATOM 1738 O ARG A 59 5.453 0.444 10.309 1.00 0.00 O ATOM 1739 CB ARG A 59 2.451 0.040 11.682 1.00 0.00 C ATOM 1740 CG ARG A 59 1.897 -0.449 13.024 1.00 0.00 C ATOM 1741 CD ARG A 59 1.367 -1.881 12.895 1.00 0.00 C ATOM 1742 NE ARG A 59 0.571 -2.026 11.640 1.00 0.00 N ATOM 1743 CZ ARG A 59 0.273 -3.218 11.192 1.00 0.00 C ATOM 1744 NH1 ARG A 59 0.674 -4.275 11.842 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -0.430 -3.355 10.101 1.00 0.00 N ATOM 0 H ARG A 59 4.694 -0.185 13.010 1.00 0.00 H new ATOM 0 HA ARG A 59 3.290 -1.796 10.929 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.755 1.083 11.765 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.672 -0.006 10.921 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.679 -0.411 13.783 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.097 0.213 13.357 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.199 -2.585 12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.747 -2.126 13.758 1.00 0.00 H new ATOM 0 HE ARG A 59 0.260 -1.197 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.219 -4.171 12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.443 -5.206 11.494 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.750 -2.530 9.593 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.660 -4.287 9.756 1.00 0.00 H new ATOM 1759 N ASN A 60 3.832 -0.123 8.943 1.00 0.00 N ATOM 1760 CA ASN A 60 4.507 0.528 7.786 1.00 0.00 C ATOM 1761 C ASN A 60 4.383 2.046 7.875 1.00 0.00 C ATOM 1762 O ASN A 60 4.097 2.603 8.916 1.00 0.00 O ATOM 1763 CB ASN A 60 3.865 0.037 6.489 1.00 0.00 C ATOM 1764 CG ASN A 60 4.086 -1.469 6.377 1.00 0.00 C ATOM 1765 OD1 ASN A 60 3.142 -2.232 6.316 1.00 0.00 O ATOM 1766 ND2 ASN A 60 5.305 -1.931 6.352 1.00 0.00 N ATOM 0 H ASN A 60 2.937 -0.564 8.729 1.00 0.00 H new ATOM 0 HA ASN A 60 5.565 0.266 7.801 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.799 0.264 6.485 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.304 0.549 5.632 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.468 -2.935 6.281 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.095 -1.288 6.403 1.00 0.00 H new