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 158:sc= -0.478! USER MOD Set 1.2: A 15 CYS SG : rot -58:sc= -5.9! USER MOD Set 1.3: A 20 THR OG1 : rot -130:sc= -0.524 USER MOD Set 1.4: A 33 CYS SG : rot 92:sc= 0.575 USER MOD Set 1.5: A 34 ASN : amide:sc= -1.76! C(o=-8!,f=-20!) USER MOD Set 1.6: A 36 CYS SG : rot 94:sc= 0.114 USER MOD Set 1.7: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot 150:sc= 0.0031 USER MOD Set 2.2: A 30 GLN : amide:sc= -0.0456 K(o=-0.042,f=-0.94) USER MOD Single : A 10 THR OG1 : rot 34:sc= 0.11 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -5.73! C(o=-5.7!,f=-5.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00183 K(o=-0.0018,f=-0.57) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.17 K(o=-2.2,f=-5.6!) USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= -0.0988 (180deg=-0.716) USER MOD Single : A 43 HIS : no HE2:sc= -4.79! C(o=-4.8!,f=-6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 119:sc= -1.03 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0616 (180deg=-0.437) USER MOD Single : A 60 ASN : amide:sc= -1.43 K(o=-1.4,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.395 11.861 32.159 1.00 0.00 N ATOM 956 CA THR A 10 10.993 11.553 31.758 1.00 0.00 C ATOM 957 C THR A 10 10.740 10.059 31.956 1.00 0.00 C ATOM 958 O THR A 10 11.404 9.221 31.378 1.00 0.00 O ATOM 959 CB THR A 10 10.800 11.931 30.285 1.00 0.00 C ATOM 960 OG1 THR A 10 11.042 13.322 30.129 1.00 0.00 O ATOM 961 CG2 THR A 10 9.372 11.609 29.842 1.00 0.00 C ATOM 0 HA THR A 10 10.290 12.121 32.367 1.00 0.00 H new ATOM 0 HB THR A 10 11.497 11.360 29.671 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.742 13.604 30.754 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.246 11.881 28.794 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.185 10.542 29.965 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.666 12.174 30.451 1.00 0.00 H new ATOM 969 N THR A 11 9.794 9.721 32.793 1.00 0.00 N ATOM 970 CA THR A 11 9.498 8.283 33.067 1.00 0.00 C ATOM 971 C THR A 11 7.986 8.083 33.200 1.00 0.00 C ATOM 972 O THR A 11 7.271 8.961 33.640 1.00 0.00 O ATOM 973 CB THR A 11 10.194 7.893 34.375 1.00 0.00 C ATOM 974 OG1 THR A 11 11.592 8.100 34.238 1.00 0.00 O ATOM 975 CG2 THR A 11 9.929 6.422 34.702 1.00 0.00 C ATOM 0 H THR A 11 9.210 10.384 33.302 1.00 0.00 H new ATOM 0 HA THR A 11 9.860 7.659 32.250 1.00 0.00 H new ATOM 0 HB THR A 11 9.802 8.509 35.184 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.043 7.854 35.073 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.430 6.160 35.634 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.856 6.261 34.809 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.311 5.796 33.896 1.00 0.00 H new ATOM 983 N CYS A 12 7.494 6.932 32.824 1.00 0.00 N ATOM 984 CA CYS A 12 6.028 6.678 32.931 1.00 0.00 C ATOM 985 C CYS A 12 5.666 6.386 34.389 1.00 0.00 C ATOM 986 O CYS A 12 6.034 5.366 34.938 1.00 0.00 O ATOM 987 CB CYS A 12 5.644 5.481 32.060 1.00 0.00 C ATOM 988 SG CYS A 12 3.862 5.523 31.749 1.00 0.00 S ATOM 0 H CYS A 12 8.043 6.159 32.448 1.00 0.00 H new ATOM 0 HA CYS A 12 5.485 7.559 32.589 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.191 5.511 31.118 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.917 4.551 32.558 1.00 0.00 H new ATOM 0 HG CYS A 12 3.592 4.840 30.676 1.00 0.00 H new ATOM 993 N THR A 13 4.923 7.264 35.008 1.00 0.00 N ATOM 994 CA THR A 13 4.526 7.047 36.429 1.00 0.00 C ATOM 995 C THR A 13 3.580 5.853 36.530 1.00 0.00 C ATOM 996 O THR A 13 3.274 5.389 37.610 1.00 0.00 O ATOM 997 CB THR A 13 3.814 8.293 36.962 1.00 0.00 C ATOM 998 OG1 THR A 13 2.804 8.691 36.046 1.00 0.00 O ATOM 999 CG2 THR A 13 4.828 9.422 37.141 1.00 0.00 C ATOM 0 H THR A 13 4.573 8.125 34.589 1.00 0.00 H new ATOM 0 HA THR A 13 5.422 6.853 37.019 1.00 0.00 H new ATOM 0 HB THR A 13 3.355 8.068 37.925 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.073 9.124 36.533 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.321 10.309 37.520 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.596 9.112 37.849 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.291 9.651 36.181 1.00 0.00 H new ATOM 1007 N ASN A 14 3.108 5.356 35.419 1.00 0.00 N ATOM 1008 CA ASN A 14 2.172 4.195 35.459 1.00 0.00 C ATOM 1009 C ASN A 14 2.923 2.891 35.181 1.00 0.00 C ATOM 1010 O ASN A 14 2.632 1.881 35.790 1.00 0.00 O ATOM 1011 CB ASN A 14 1.085 4.382 34.398 1.00 0.00 C ATOM 1012 CG ASN A 14 0.132 5.499 34.828 1.00 0.00 C ATOM 1013 OD1 ASN A 14 -0.809 5.812 34.126 1.00 0.00 O ATOM 1014 ND2 ASN A 14 0.339 6.123 35.955 1.00 0.00 N ATOM 0 H ASN A 14 3.330 5.703 34.486 1.00 0.00 H new ATOM 0 HA ASN A 14 1.723 4.142 36.451 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.539 4.627 33.438 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.533 3.452 34.261 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.289 6.873 36.246 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.129 5.861 36.545 1.00 0.00 H new ATOM 1021 N CYS A 15 3.858 2.877 34.253 1.00 0.00 N ATOM 1022 CA CYS A 15 4.577 1.597 33.938 1.00 0.00 C ATOM 1023 C CYS A 15 6.098 1.802 33.883 1.00 0.00 C ATOM 1024 O CYS A 15 6.828 0.914 33.491 1.00 0.00 O ATOM 1025 CB CYS A 15 4.060 1.041 32.604 1.00 0.00 C ATOM 1026 SG CYS A 15 4.773 1.951 31.213 1.00 0.00 S ATOM 0 H CYS A 15 4.151 3.687 33.707 1.00 0.00 H new ATOM 0 HA CYS A 15 4.377 0.881 34.735 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.314 -0.016 32.522 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.973 1.111 32.572 1.00 0.00 H new ATOM 0 HG CYS A 15 4.474 3.212 31.320 1.00 0.00 H new ATOM 1031 N PHE A 16 6.594 2.937 34.304 1.00 0.00 N ATOM 1032 CA PHE A 16 8.072 3.177 34.324 1.00 0.00 C ATOM 1033 C PHE A 16 8.738 2.879 32.970 1.00 0.00 C ATOM 1034 O PHE A 16 9.930 3.043 32.816 1.00 0.00 O ATOM 1035 CB PHE A 16 8.685 2.329 35.461 1.00 0.00 C ATOM 1036 CG PHE A 16 9.349 1.062 34.953 1.00 0.00 C ATOM 1037 CD1 PHE A 16 10.654 1.113 34.446 1.00 0.00 C ATOM 1038 CD2 PHE A 16 8.660 -0.156 34.987 1.00 0.00 C ATOM 1039 CE1 PHE A 16 11.267 -0.053 33.972 1.00 0.00 C ATOM 1040 CE2 PHE A 16 9.274 -1.322 34.514 1.00 0.00 C ATOM 1041 CZ PHE A 16 10.577 -1.270 34.005 1.00 0.00 C ATOM 0 H PHE A 16 6.032 3.719 34.640 1.00 0.00 H new ATOM 0 HA PHE A 16 8.256 4.235 34.509 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.419 2.928 36.000 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.904 2.064 36.173 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.187 2.052 34.421 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.654 -0.196 35.378 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.273 -0.013 33.581 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.742 -2.262 34.542 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.050 -2.169 33.638 1.00 0.00 H new ATOM 1051 N THR A 17 8.007 2.450 31.988 1.00 0.00 N ATOM 1052 CA THR A 17 8.663 2.151 30.676 1.00 0.00 C ATOM 1053 C THR A 17 9.330 3.419 30.128 1.00 0.00 C ATOM 1054 O THR A 17 8.754 4.489 30.140 1.00 0.00 O ATOM 1055 CB THR A 17 7.613 1.653 29.674 1.00 0.00 C ATOM 1056 OG1 THR A 17 8.270 1.045 28.570 1.00 0.00 O ATOM 1057 CG2 THR A 17 6.762 2.828 29.176 1.00 0.00 C ATOM 0 H THR A 17 7.000 2.293 32.026 1.00 0.00 H new ATOM 0 HA THR A 17 9.419 1.380 30.823 1.00 0.00 H new ATOM 0 HB THR A 17 6.965 0.927 30.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.602 0.724 27.928 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.020 2.464 28.465 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.257 3.295 30.021 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.404 3.561 28.687 1.00 0.00 H new ATOM 1065 N GLN A 18 10.543 3.303 29.645 1.00 0.00 N ATOM 1066 CA GLN A 18 11.264 4.491 29.090 1.00 0.00 C ATOM 1067 C GLN A 18 11.230 4.437 27.559 1.00 0.00 C ATOM 1068 O GLN A 18 11.551 5.398 26.887 1.00 0.00 O ATOM 1069 CB GLN A 18 12.714 4.469 29.579 1.00 0.00 C ATOM 1070 CG GLN A 18 13.456 5.713 29.079 1.00 0.00 C ATOM 1071 CD GLN A 18 14.827 5.787 29.756 1.00 0.00 C ATOM 1072 OE1 GLN A 18 14.937 5.599 30.951 1.00 0.00 O ATOM 1073 NE2 GLN A 18 15.888 6.041 29.037 1.00 0.00 N ATOM 0 H GLN A 18 11.068 2.429 29.611 1.00 0.00 H new ATOM 0 HA GLN A 18 10.781 5.409 29.426 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.738 4.434 30.668 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.214 3.569 29.220 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.574 5.670 27.996 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.878 6.610 29.302 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.798 6.199 28.033 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.806 6.081 29.479 1.00 0.00 H new ATOM 1082 N THR A 19 10.834 3.322 27.001 1.00 0.00 N ATOM 1083 CA THR A 19 10.772 3.200 25.513 1.00 0.00 C ATOM 1084 C THR A 19 9.331 3.435 25.054 1.00 0.00 C ATOM 1085 O THR A 19 8.427 2.723 25.441 1.00 0.00 O ATOM 1086 CB THR A 19 11.195 1.786 25.101 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.523 1.544 25.542 1.00 0.00 O ATOM 1088 CG2 THR A 19 11.128 1.648 23.578 1.00 0.00 C ATOM 0 H THR A 19 10.550 2.487 27.514 1.00 0.00 H new ATOM 0 HA THR A 19 11.438 3.933 25.058 1.00 0.00 H new ATOM 0 HB THR A 19 10.521 1.061 25.556 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.795 0.639 25.281 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.430 0.641 23.290 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.108 1.832 23.241 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.799 2.373 23.117 1.00 0.00 H new ATOM 1096 N THR A 20 9.106 4.428 24.234 1.00 0.00 N ATOM 1097 CA THR A 20 7.715 4.693 23.765 1.00 0.00 C ATOM 1098 C THR A 20 7.745 5.607 22.524 1.00 0.00 C ATOM 1099 O THR A 20 8.595 6.469 22.420 1.00 0.00 O ATOM 1100 CB THR A 20 6.938 5.366 24.904 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.548 5.325 24.623 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.387 6.821 25.062 1.00 0.00 C ATOM 0 H THR A 20 9.819 5.062 23.872 1.00 0.00 H new ATOM 0 HA THR A 20 7.227 3.758 23.489 1.00 0.00 H new ATOM 0 HB THR A 20 7.138 4.831 25.832 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.165 6.220 24.736 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.829 7.288 25.873 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.452 6.850 25.291 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.200 7.362 24.134 1.00 0.00 H new ATOM 1110 N PRO A 21 6.829 5.442 21.593 1.00 0.00 N ATOM 1111 CA PRO A 21 6.780 6.292 20.365 1.00 0.00 C ATOM 1112 C PRO A 21 6.195 7.681 20.649 1.00 0.00 C ATOM 1113 O PRO A 21 6.383 8.612 19.893 1.00 0.00 O ATOM 1114 CB PRO A 21 5.862 5.502 19.427 1.00 0.00 C ATOM 1115 CG PRO A 21 4.928 4.779 20.340 1.00 0.00 C ATOM 1116 CD PRO A 21 5.747 4.435 21.588 1.00 0.00 C ATOM 0 HA PRO A 21 7.771 6.479 19.952 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.322 6.164 18.750 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.430 4.807 18.808 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.070 5.401 20.595 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.539 3.877 19.867 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.141 4.495 22.492 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.145 3.421 21.538 1.00 0.00 H new ATOM 1124 N LEU A 22 5.461 7.816 21.718 1.00 0.00 N ATOM 1125 CA LEU A 22 4.839 9.135 22.025 1.00 0.00 C ATOM 1126 C LEU A 22 4.568 9.253 23.528 1.00 0.00 C ATOM 1127 O LEU A 22 3.852 8.462 24.111 1.00 0.00 O ATOM 1128 CB LEU A 22 3.533 9.229 21.235 1.00 0.00 C ATOM 1129 CG LEU A 22 2.727 10.467 21.638 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.597 11.723 21.543 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.542 10.606 20.679 1.00 0.00 C ATOM 0 H LEU A 22 5.265 7.074 22.390 1.00 0.00 H new ATOM 0 HA LEU A 22 5.508 9.948 21.743 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.753 9.267 20.168 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.937 8.333 21.406 1.00 0.00 H new ATOM 0 HG LEU A 22 2.381 10.356 22.666 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.010 12.595 21.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.453 11.624 22.210 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.948 11.846 20.518 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.955 11.484 20.951 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.910 10.717 19.659 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.915 9.716 20.744 1.00 0.00 H new ATOM 1143 N TRP A 23 5.151 10.239 24.153 1.00 0.00 N ATOM 1144 CA TRP A 23 4.948 10.421 25.620 1.00 0.00 C ATOM 1145 C TRP A 23 3.618 11.141 25.855 1.00 0.00 C ATOM 1146 O TRP A 23 3.340 12.165 25.264 1.00 0.00 O ATOM 1147 CB TRP A 23 6.092 11.253 26.213 1.00 0.00 C ATOM 1148 CG TRP A 23 7.303 10.397 26.426 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.372 10.346 25.598 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.594 9.482 27.525 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.301 9.464 26.118 1.00 0.00 N ATOM 1152 CE2 TRP A 23 8.868 8.904 27.303 1.00 0.00 C ATOM 1153 CE3 TRP A 23 6.888 9.097 28.680 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.422 7.984 28.195 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.441 8.171 29.578 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.705 7.616 29.338 1.00 0.00 C ATOM 0 H TRP A 23 5.760 10.928 23.711 1.00 0.00 H new ATOM 0 HA TRP A 23 4.934 9.445 26.105 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.335 12.078 25.544 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.778 11.692 27.160 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.482 10.904 24.680 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.197 9.253 25.679 1.00 0.00 H new ATOM 0 HE3 TRP A 23 5.913 9.517 28.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.397 7.560 28.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.888 7.884 30.460 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.125 6.905 30.034 1.00 0.00 H new ATOM 1167 N ARG A 24 2.794 10.599 26.714 1.00 0.00 N ATOM 1168 CA ARG A 24 1.467 11.215 27.010 1.00 0.00 C ATOM 1169 C ARG A 24 1.505 11.783 28.430 1.00 0.00 C ATOM 1170 O ARG A 24 2.513 11.710 29.104 1.00 0.00 O ATOM 1171 CB ARG A 24 0.381 10.138 26.913 1.00 0.00 C ATOM 1172 CG ARG A 24 0.382 9.504 25.515 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.348 10.408 24.515 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.386 9.743 23.182 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.205 10.176 22.264 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.015 11.162 22.534 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.215 9.621 21.082 1.00 0.00 N ATOM 0 H ARG A 24 2.989 9.741 27.231 1.00 0.00 H new ATOM 0 HA ARG A 24 1.248 12.010 26.298 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.552 9.370 27.668 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.595 10.577 27.120 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.408 9.340 25.184 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.101 8.528 25.552 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.361 10.609 24.862 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.160 11.370 24.440 1.00 0.00 H new ATOM 0 HE ARG A 24 0.227 8.951 22.988 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.006 11.591 23.460 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.657 11.504 21.820 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.582 8.848 20.876 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.856 9.960 20.365 1.00 0.00 H new ATOM 1191 N ARG A 25 0.424 12.357 28.887 1.00 0.00 N ATOM 1192 CA ARG A 25 0.399 12.943 30.262 1.00 0.00 C ATOM 1193 C ARG A 25 -0.943 12.628 30.924 1.00 0.00 C ATOM 1194 O ARG A 25 -1.956 12.502 30.266 1.00 0.00 O ATOM 1195 CB ARG A 25 0.573 14.461 30.160 1.00 0.00 C ATOM 1196 CG ARG A 25 -0.559 15.042 29.310 1.00 0.00 C ATOM 1197 CD ARG A 25 -0.301 16.527 29.038 1.00 0.00 C ATOM 1198 NE ARG A 25 0.884 16.680 28.146 1.00 0.00 N ATOM 1199 CZ ARG A 25 1.078 17.801 27.505 1.00 0.00 C ATOM 1200 NH1 ARG A 25 0.251 18.799 27.671 1.00 0.00 N ATOM 1201 NH2 ARG A 25 2.098 17.929 26.703 1.00 0.00 N ATOM 0 H ARG A 25 -0.448 12.446 28.365 1.00 0.00 H new ATOM 0 HA ARG A 25 1.206 12.518 30.860 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.563 14.908 31.154 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.538 14.699 29.713 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.633 14.499 28.368 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.512 14.918 29.825 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.178 16.978 28.574 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.131 17.054 29.977 1.00 0.00 H new ATOM 0 HE ARG A 25 1.543 15.909 28.037 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.545 18.702 28.301 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.402 19.675 27.171 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.747 17.152 26.575 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.247 18.806 26.204 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.961 12.499 32.224 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.238 12.198 32.929 1.00 0.00 C ATOM 1217 C ASN A 26 -2.937 13.528 33.252 1.00 0.00 C ATOM 1218 O ASN A 26 -2.279 14.482 33.612 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.927 11.453 34.236 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.174 10.701 34.711 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.360 9.545 34.388 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -4.042 11.315 35.468 1.00 0.00 N ATOM 0 H ASN A 26 -0.144 12.590 32.828 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.881 11.579 32.304 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.106 10.753 34.080 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.603 12.159 35.000 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.877 10.824 35.788 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.886 12.286 35.739 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.242 13.620 33.138 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.967 14.886 33.451 1.00 0.00 C ATOM 1231 C PRO A 27 -4.478 15.546 34.749 1.00 0.00 C ATOM 1232 O PRO A 27 -4.837 16.665 35.055 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.425 14.437 33.591 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.545 13.255 32.687 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.175 12.564 32.693 1.00 0.00 C ATOM 0 HA PRO A 27 -4.811 15.641 32.680 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.661 14.173 34.622 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.114 15.230 33.300 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.324 12.577 33.036 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.820 13.564 31.678 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.162 11.710 33.370 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.912 12.191 31.703 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.663 14.864 35.516 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.153 15.455 36.792 1.00 0.00 C ATOM 1245 C GLU A 28 -1.755 16.038 36.569 1.00 0.00 C ATOM 1246 O GLU A 28 -1.096 16.467 37.495 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.074 14.369 37.866 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.486 13.935 38.264 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.400 12.850 39.340 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -4.361 13.205 40.506 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -4.373 11.685 38.981 1.00 0.00 O ATOM 0 H GLU A 28 -3.329 13.922 35.313 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.832 16.244 37.115 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.512 13.513 37.491 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.539 14.745 38.738 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.049 14.790 38.638 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.021 13.557 37.393 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.303 16.067 35.345 1.00 0.00 N ATOM 1259 CA GLY A 29 0.048 16.632 35.048 1.00 0.00 C ATOM 1260 C GLY A 29 1.146 15.579 35.236 1.00 0.00 C ATOM 1261 O GLY A 29 2.318 15.897 35.213 1.00 0.00 O ATOM 0 H GLY A 29 -1.813 15.722 34.532 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.071 17.006 34.024 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.241 17.482 35.702 1.00 0.00 H new ATOM 1265 N GLN A 30 0.796 14.330 35.402 1.00 0.00 N ATOM 1266 CA GLN A 30 1.849 13.282 35.565 1.00 0.00 C ATOM 1267 C GLN A 30 2.199 12.728 34.180 1.00 0.00 C ATOM 1268 O GLN A 30 1.331 12.575 33.345 1.00 0.00 O ATOM 1269 CB GLN A 30 1.319 12.150 36.445 1.00 0.00 C ATOM 1270 CG GLN A 30 0.986 12.703 37.831 1.00 0.00 C ATOM 1271 CD GLN A 30 0.739 11.547 38.801 1.00 0.00 C ATOM 1272 OE1 GLN A 30 1.434 10.550 38.765 1.00 0.00 O ATOM 1273 NE2 GLN A 30 -0.228 11.637 39.673 1.00 0.00 N ATOM 0 H GLN A 30 -0.166 13.991 35.432 1.00 0.00 H new ATOM 0 HA GLN A 30 2.733 13.713 36.035 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.431 11.708 35.994 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.063 11.358 36.526 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.806 13.324 38.192 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.103 13.340 37.777 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.811 12.473 39.703 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.401 10.871 40.324 1.00 0.00 H new ATOM 1282 N PRO A 31 3.446 12.429 33.913 1.00 0.00 N ATOM 1283 CA PRO A 31 3.858 11.894 32.585 1.00 0.00 C ATOM 1284 C PRO A 31 3.493 10.416 32.401 1.00 0.00 C ATOM 1285 O PRO A 31 3.743 9.588 33.253 1.00 0.00 O ATOM 1286 CB PRO A 31 5.377 12.082 32.589 1.00 0.00 C ATOM 1287 CG PRO A 31 5.757 11.939 34.025 1.00 0.00 C ATOM 1288 CD PRO A 31 4.604 12.557 34.822 1.00 0.00 C ATOM 0 HA PRO A 31 3.352 12.404 31.765 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.873 11.335 31.969 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.659 13.059 32.197 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.899 10.891 34.290 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.696 12.451 34.234 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.437 12.029 35.761 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.803 13.599 35.073 1.00 0.00 H new ATOM 1296 N LEU A 32 2.931 10.089 31.268 1.00 0.00 N ATOM 1297 CA LEU A 32 2.563 8.675 30.961 1.00 0.00 C ATOM 1298 C LEU A 32 3.221 8.320 29.633 1.00 0.00 C ATOM 1299 O LEU A 32 3.548 9.195 28.856 1.00 0.00 O ATOM 1300 CB LEU A 32 1.043 8.533 30.818 1.00 0.00 C ATOM 1301 CG LEU A 32 0.330 8.915 32.119 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.176 8.715 31.931 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.820 8.031 33.274 1.00 0.00 C ATOM 0 H LEU A 32 2.707 10.755 30.528 1.00 0.00 H new ATOM 0 HA LEU A 32 2.894 8.017 31.764 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.690 9.168 30.006 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.794 7.506 30.551 1.00 0.00 H new ATOM 0 HG LEU A 32 0.547 9.956 32.358 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.696 8.983 32.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.528 9.348 31.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.377 7.671 31.692 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.305 8.313 34.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.610 6.986 33.047 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.894 8.165 33.404 1.00 0.00 H new ATOM 1315 N CYS A 33 3.400 7.063 29.327 1.00 0.00 N ATOM 1316 CA CYS A 33 4.008 6.724 28.015 1.00 0.00 C ATOM 1317 C CYS A 33 2.893 6.737 26.970 1.00 0.00 C ATOM 1318 O CYS A 33 1.995 7.552 27.026 1.00 0.00 O ATOM 1319 CB CYS A 33 4.696 5.353 28.078 1.00 0.00 C ATOM 1320 SG CYS A 33 3.480 4.037 28.332 1.00 0.00 S ATOM 0 H CYS A 33 3.155 6.270 29.920 1.00 0.00 H new ATOM 0 HA CYS A 33 4.774 7.452 27.748 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.245 5.174 27.154 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.424 5.343 28.889 1.00 0.00 H new ATOM 0 HG CYS A 33 3.095 3.573 27.180 1.00 0.00 H new ATOM 1325 N ASN A 34 2.940 5.862 26.011 1.00 0.00 N ATOM 1326 CA ASN A 34 1.875 5.858 24.965 1.00 0.00 C ATOM 1327 C ASN A 34 0.607 5.131 25.440 1.00 0.00 C ATOM 1328 O ASN A 34 -0.444 5.723 25.579 1.00 0.00 O ATOM 1329 CB ASN A 34 2.408 5.175 23.703 1.00 0.00 C ATOM 1330 CG ASN A 34 2.967 3.797 24.059 1.00 0.00 C ATOM 1331 OD1 ASN A 34 3.050 3.442 25.218 1.00 0.00 O ATOM 1332 ND2 ASN A 34 3.357 2.998 23.102 1.00 0.00 N ATOM 0 H ASN A 34 3.663 5.151 25.902 1.00 0.00 H new ATOM 0 HA ASN A 34 1.608 6.894 24.756 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.610 5.075 22.967 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.186 5.787 23.248 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.731 2.076 23.328 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.287 3.296 22.129 1.00 0.00 H new ATOM 1339 N ALA A 35 0.685 3.839 25.618 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.513 3.028 26.001 1.00 0.00 C ATOM 1341 C ALA A 35 -1.129 3.406 27.358 1.00 0.00 C ATOM 1342 O ALA A 35 -2.331 3.358 27.515 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.106 1.553 26.029 1.00 0.00 C ATOM 0 H ALA A 35 1.544 3.299 25.513 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.282 3.231 25.256 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.966 0.943 26.306 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.247 1.254 25.042 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.691 1.409 26.759 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.352 3.739 28.351 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.964 4.062 29.678 1.00 0.00 C ATOM 1351 C CYS A 36 -1.962 5.217 29.546 1.00 0.00 C ATOM 1352 O CYS A 36 -3.118 5.090 29.896 1.00 0.00 O ATOM 1353 CB CYS A 36 0.127 4.462 30.672 1.00 0.00 C ATOM 1354 SG CYS A 36 1.157 3.032 31.078 1.00 0.00 S ATOM 0 H CYS A 36 0.665 3.802 28.307 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.487 3.175 30.036 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.743 5.254 30.247 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.326 4.862 31.579 1.00 0.00 H new ATOM 0 HG CYS A 36 2.193 3.006 30.293 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.527 6.340 29.046 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.457 7.497 28.897 1.00 0.00 C ATOM 1361 C GLY A 37 -3.577 7.146 27.915 1.00 0.00 C ATOM 1362 O GLY A 37 -4.732 7.446 28.147 1.00 0.00 O ATOM 0 H GLY A 37 -0.570 6.508 28.734 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.881 7.760 29.866 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.910 8.370 28.541 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.252 6.511 26.821 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.303 6.141 25.830 1.00 0.00 C ATOM 1368 C LEU A 38 -5.248 5.094 26.429 1.00 0.00 C ATOM 1369 O LEU A 38 -6.444 5.125 26.223 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.636 5.526 24.593 1.00 0.00 C ATOM 1371 CG LEU A 38 -2.811 6.568 23.827 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -1.967 5.848 22.771 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -3.737 7.568 23.121 1.00 0.00 C ATOM 0 H LEU A 38 -2.303 6.232 26.571 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.863 7.037 25.563 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.992 4.701 24.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.399 5.109 23.936 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.174 7.106 24.529 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.375 6.578 22.219 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.302 5.137 23.260 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.623 5.316 22.082 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.137 8.301 22.582 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.378 7.036 22.418 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.354 8.078 23.861 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.705 4.158 27.155 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.547 3.084 27.756 1.00 0.00 C ATOM 1387 C PHE A 39 -6.242 3.561 29.033 1.00 0.00 C ATOM 1388 O PHE A 39 -7.421 3.348 29.222 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.665 1.880 28.085 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.534 0.706 28.472 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -6.162 -0.054 27.479 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -5.702 0.369 29.821 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.958 -1.149 27.833 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.501 -0.725 30.175 1.00 0.00 C ATOM 1395 CZ PHE A 39 -7.129 -1.485 29.180 1.00 0.00 C ATOM 0 H PHE A 39 -3.708 4.089 27.360 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.316 2.811 27.033 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.049 1.621 27.224 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.985 2.127 28.900 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.032 0.205 26.439 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.215 0.953 30.588 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.441 -1.735 27.065 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.633 -0.983 31.215 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.745 -2.330 29.453 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.517 4.172 29.926 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.142 4.615 31.202 1.00 0.00 C ATOM 1407 C LEU A 40 -7.276 5.604 30.910 1.00 0.00 C ATOM 1408 O LEU A 40 -8.372 5.463 31.414 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.067 5.270 32.080 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.664 5.726 33.417 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -6.202 4.513 34.196 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.571 6.422 34.236 1.00 0.00 C ATOM 0 H LEU A 40 -4.524 4.383 29.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.563 3.758 31.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.257 4.563 32.260 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.635 6.124 31.559 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.487 6.417 33.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.624 4.847 35.144 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.976 4.018 33.609 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.388 3.814 34.388 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.984 6.751 35.189 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.752 5.725 34.416 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.198 7.286 33.685 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.027 6.609 30.115 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.099 7.604 29.814 1.00 0.00 C ATOM 1426 C LYS A 41 -9.301 6.922 29.150 1.00 0.00 C ATOM 1427 O LYS A 41 -10.438 7.223 29.454 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.548 8.689 28.881 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.644 9.722 28.597 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.086 10.854 27.730 1.00 0.00 C ATOM 1431 CE LYS A 41 -9.186 11.887 27.467 1.00 0.00 C ATOM 1432 NZ LYS A 41 -9.693 12.426 28.762 1.00 0.00 N ATOM 0 H LYS A 41 -6.131 6.785 29.661 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.426 8.054 30.751 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.686 9.174 29.339 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.204 8.242 27.948 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.483 9.244 28.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.026 10.126 29.535 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.241 11.327 28.230 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.715 10.454 26.786 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.796 12.698 26.853 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.002 11.428 26.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.891 13.442 28.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.567 11.928 29.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.976 12.284 29.502 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.065 6.042 28.217 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.205 5.386 27.510 1.00 0.00 C ATOM 1448 C LEU A 42 -10.959 4.415 28.427 1.00 0.00 C ATOM 1449 O LEU A 42 -12.144 4.207 28.257 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.692 4.634 26.276 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.229 5.627 25.197 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.610 4.853 24.026 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.417 6.470 24.691 1.00 0.00 C ATOM 0 H LEU A 42 -8.137 5.748 27.913 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.899 6.169 27.205 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.865 3.982 26.557 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.481 3.996 25.877 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.487 6.298 25.630 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.281 5.555 23.260 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.756 4.277 24.382 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.353 4.177 23.604 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.070 7.167 23.928 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.174 5.812 24.264 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.848 7.028 25.523 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.300 3.792 29.371 1.00 0.00 N ATOM 1466 CA HIS A 43 -11.011 2.814 30.257 1.00 0.00 C ATOM 1467 C HIS A 43 -11.435 3.472 31.570 1.00 0.00 C ATOM 1468 O HIS A 43 -12.482 3.169 32.106 1.00 0.00 O ATOM 1469 CB HIS A 43 -10.077 1.638 30.542 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.912 0.844 29.275 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -9.215 1.338 28.185 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -10.361 -0.400 28.903 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -9.268 0.408 27.216 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.954 -0.672 27.599 1.00 0.00 N ATOM 0 H HIS A 43 -9.307 3.915 29.568 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.911 2.465 29.751 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.110 1.998 30.892 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.488 1.010 31.332 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.747 2.242 28.128 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.941 -1.065 29.526 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.811 0.521 26.244 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.666 4.390 32.087 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.077 5.069 33.348 1.00 0.00 C ATOM 1484 C GLY A 44 -11.172 4.073 34.508 1.00 0.00 C ATOM 1485 O GLY A 44 -11.718 4.386 35.548 1.00 0.00 O ATOM 0 H GLY A 44 -9.777 4.698 31.694 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.358 5.851 33.594 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.041 5.557 33.204 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.646 2.882 34.355 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.711 1.883 35.469 1.00 0.00 C ATOM 1491 C VAL A 45 -9.379 1.143 35.593 1.00 0.00 C ATOM 1492 O VAL A 45 -8.742 0.802 34.617 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.823 0.861 35.209 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.191 1.516 35.405 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.720 0.333 33.777 1.00 0.00 C ATOM 0 H VAL A 45 -10.176 2.559 33.510 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.921 2.421 36.394 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.711 0.035 35.912 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -13.976 0.783 35.218 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.275 1.885 36.427 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.299 2.348 34.709 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.513 -0.393 33.599 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.822 1.161 33.076 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.751 -0.146 33.635 1.00 0.00 H new ATOM 1505 N VAL A 46 -8.967 0.894 36.804 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.684 0.172 37.040 1.00 0.00 C ATOM 1507 C VAL A 46 -7.740 -1.208 36.380 1.00 0.00 C ATOM 1508 O VAL A 46 -8.749 -1.884 36.412 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.459 0.009 38.545 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.220 1.382 39.179 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.689 -0.644 39.183 1.00 0.00 C ATOM 0 H VAL A 46 -9.469 1.162 37.650 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.863 0.745 36.609 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.588 -0.624 38.713 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.060 1.265 40.251 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.341 1.842 38.729 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.089 2.017 39.009 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.525 -0.759 40.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.563 -0.015 39.015 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.855 -1.624 38.734 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.660 -1.631 35.781 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.637 -2.966 35.116 1.00 0.00 C ATOM 1523 C ARG A 47 -5.191 -3.494 35.126 1.00 0.00 C ATOM 1524 O ARG A 47 -4.271 -2.737 34.888 1.00 0.00 O ATOM 1525 CB ARG A 47 -7.128 -2.790 33.672 1.00 0.00 C ATOM 1526 CG ARG A 47 -7.565 -4.141 33.089 1.00 0.00 C ATOM 1527 CD ARG A 47 -8.264 -3.953 31.727 1.00 0.00 C ATOM 1528 NE ARG A 47 -9.543 -4.731 31.700 1.00 0.00 N ATOM 1529 CZ ARG A 47 -9.592 -5.978 32.094 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -8.504 -6.604 32.449 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -10.735 -6.607 32.116 1.00 0.00 N ATOM 0 H ARG A 47 -5.787 -1.106 35.723 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.280 -3.676 35.636 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.962 -2.089 33.647 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.334 -2.362 33.060 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.696 -4.788 32.970 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.241 -4.640 33.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.467 -2.896 31.555 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.608 -4.286 30.923 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.395 -4.279 31.367 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.606 -6.122 32.421 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.552 -7.576 32.755 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.587 -6.127 31.827 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.776 -7.579 32.423 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.969 -4.764 35.399 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.599 -5.347 35.429 1.00 0.00 C ATOM 1547 C PRO A 48 -2.633 -4.712 34.427 1.00 0.00 C ATOM 1548 O PRO A 48 -2.716 -4.941 33.236 1.00 0.00 O ATOM 1549 CB PRO A 48 -3.847 -6.809 35.070 1.00 0.00 C ATOM 1550 CG PRO A 48 -5.181 -7.123 35.673 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.972 -5.803 35.717 1.00 0.00 C ATOM 0 HA PRO A 48 -3.120 -5.186 36.395 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.855 -6.956 33.990 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.067 -7.455 35.474 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.708 -7.869 35.078 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.065 -7.537 36.674 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.787 -5.804 34.993 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.417 -5.639 36.698 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.691 -3.950 34.907 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.692 -3.341 33.987 1.00 0.00 C ATOM 1561 C LEU A 49 0.072 -4.476 33.303 1.00 0.00 C ATOM 1562 O LEU A 49 0.866 -4.255 32.411 1.00 0.00 O ATOM 1563 CB LEU A 49 0.292 -2.458 34.764 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.445 -1.315 35.472 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.580 -0.473 36.234 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -1.169 -0.428 34.447 1.00 0.00 C ATOM 0 H LEU A 49 -1.570 -3.723 35.894 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.201 -2.717 33.252 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.828 -3.061 35.497 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.037 -2.049 34.082 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.184 -1.730 36.158 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.072 0.345 36.744 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.090 -1.097 36.968 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.310 -0.067 35.534 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.687 0.379 34.966 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.442 -0.005 33.754 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.892 -1.027 33.894 1.00 0.00 H new ATOM 1578 N SER A 50 -0.157 -5.691 33.725 1.00 0.00 N ATOM 1579 CA SER A 50 0.561 -6.840 33.106 1.00 0.00 C ATOM 1580 C SER A 50 0.273 -6.857 31.605 1.00 0.00 C ATOM 1581 O SER A 50 0.887 -7.584 30.852 1.00 0.00 O ATOM 1582 CB SER A 50 0.086 -8.152 33.734 1.00 0.00 C ATOM 1583 OG SER A 50 0.591 -8.248 35.059 1.00 0.00 O ATOM 0 H SER A 50 -0.809 -5.936 34.470 1.00 0.00 H new ATOM 0 HA SER A 50 1.632 -6.734 33.276 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.003 -8.190 33.744 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.429 -8.999 33.139 1.00 0.00 H new ATOM 0 HG SER A 50 0.287 -9.087 35.465 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.655 -6.055 31.164 1.00 0.00 N ATOM 1590 CA LEU A 51 -0.976 -6.019 29.710 1.00 0.00 C ATOM 1591 C LEU A 51 0.190 -5.356 28.967 1.00 0.00 C ATOM 1592 O LEU A 51 0.458 -5.652 27.820 1.00 0.00 O ATOM 1593 CB LEU A 51 -2.258 -5.207 29.497 1.00 0.00 C ATOM 1594 CG LEU A 51 -3.461 -5.967 30.078 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -4.680 -5.041 30.097 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -3.780 -7.214 29.234 1.00 0.00 C ATOM 0 H LEU A 51 -1.205 -5.423 31.747 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.126 -7.030 29.330 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.166 -4.233 29.977 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.411 -5.025 28.433 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.216 -6.287 31.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.536 -5.575 30.508 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.465 -4.169 30.715 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.908 -4.718 29.081 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.635 -7.736 29.664 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.015 -6.912 28.213 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.916 -7.878 29.226 1.00 0.00 H new ATOM 1608 N LYS A 52 0.887 -4.465 29.620 1.00 0.00 N ATOM 1609 CA LYS A 52 2.046 -3.777 28.977 1.00 0.00 C ATOM 1610 C LYS A 52 3.069 -4.819 28.509 1.00 0.00 C ATOM 1611 O LYS A 52 3.157 -5.903 29.052 1.00 0.00 O ATOM 1612 CB LYS A 52 2.694 -2.847 30.010 1.00 0.00 C ATOM 1613 CG LYS A 52 3.898 -2.104 29.414 1.00 0.00 C ATOM 1614 CD LYS A 52 3.448 -1.209 28.251 1.00 0.00 C ATOM 1615 CE LYS A 52 4.486 -0.109 28.020 1.00 0.00 C ATOM 1616 NZ LYS A 52 4.245 0.542 26.701 1.00 0.00 N ATOM 0 H LYS A 52 0.701 -4.181 30.582 1.00 0.00 H new ATOM 0 HA LYS A 52 1.708 -3.201 28.115 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.958 -2.126 30.365 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.014 -3.428 30.875 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.378 -1.499 30.183 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.640 -2.822 29.064 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.327 -1.805 27.346 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.477 -0.766 28.474 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.428 0.632 28.818 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.490 -0.532 28.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.952 1.289 26.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.321 -0.168 25.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.293 0.960 26.689 1.00 0.00 H new ATOM 1630 N THR A 53 3.863 -4.487 27.523 1.00 0.00 N ATOM 1631 CA THR A 53 4.910 -5.432 27.031 1.00 0.00 C ATOM 1632 C THR A 53 6.165 -4.645 26.661 1.00 0.00 C ATOM 1633 O THR A 53 6.094 -3.497 26.271 1.00 0.00 O ATOM 1634 CB THR A 53 4.420 -6.178 25.792 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.538 -6.706 25.092 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.648 -5.220 24.882 1.00 0.00 C ATOM 0 H THR A 53 3.830 -3.593 27.033 1.00 0.00 H new ATOM 0 HA THR A 53 5.128 -6.151 27.821 1.00 0.00 H new ATOM 0 HB THR A 53 3.760 -6.991 26.094 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.469 -7.683 25.055 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.301 -5.757 23.999 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.791 -4.816 25.422 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.301 -4.403 24.576 1.00 0.00 H new ATOM 1644 N ASP A 54 7.313 -5.248 26.785 1.00 0.00 N ATOM 1645 CA ASP A 54 8.579 -4.529 26.444 1.00 0.00 C ATOM 1646 C ASP A 54 8.878 -4.685 24.952 1.00 0.00 C ATOM 1647 O ASP A 54 9.778 -4.060 24.428 1.00 0.00 O ATOM 1648 CB ASP A 54 9.734 -5.117 27.258 1.00 0.00 C ATOM 1649 CG ASP A 54 9.613 -4.671 28.717 1.00 0.00 C ATOM 1650 OD1 ASP A 54 9.094 -3.590 28.946 1.00 0.00 O ATOM 1651 OD2 ASP A 54 10.049 -5.415 29.581 1.00 0.00 O ATOM 0 H ASP A 54 7.433 -6.208 27.108 1.00 0.00 H new ATOM 0 HA ASP A 54 8.466 -3.471 26.680 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.718 -6.205 27.197 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.688 -4.789 26.845 1.00 0.00 H new ATOM 1656 N VAL A 55 8.119 -5.497 24.261 1.00 0.00 N ATOM 1657 CA VAL A 55 8.337 -5.683 22.795 1.00 0.00 C ATOM 1658 C VAL A 55 7.191 -5.006 22.036 1.00 0.00 C ATOM 1659 O VAL A 55 6.031 -5.194 22.343 1.00 0.00 O ATOM 1660 CB VAL A 55 8.388 -7.181 22.477 1.00 0.00 C ATOM 1661 CG1 VAL A 55 7.206 -7.909 23.122 1.00 0.00 C ATOM 1662 CG2 VAL A 55 8.355 -7.392 20.960 1.00 0.00 C ATOM 0 H VAL A 55 7.352 -6.043 24.653 1.00 0.00 H new ATOM 0 HA VAL A 55 9.281 -5.232 22.489 1.00 0.00 H new ATOM 0 HB VAL A 55 9.314 -7.589 22.882 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.260 -8.972 22.885 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.243 -7.776 24.203 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.272 -7.498 22.738 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.392 -8.459 20.740 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.436 -6.969 20.554 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.214 -6.898 20.505 1.00 0.00 H new ATOM 1672 N ILE A 56 7.517 -4.189 21.068 1.00 0.00 N ATOM 1673 CA ILE A 56 6.469 -3.457 20.288 1.00 0.00 C ATOM 1674 C ILE A 56 6.563 -3.827 18.808 1.00 0.00 C ATOM 1675 O ILE A 56 7.630 -3.852 18.227 1.00 0.00 O ATOM 1676 CB ILE A 56 6.678 -1.953 20.468 1.00 0.00 C ATOM 1677 CG1 ILE A 56 6.485 -1.602 21.944 1.00 0.00 C ATOM 1678 CG2 ILE A 56 5.661 -1.190 19.619 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.936 -0.163 22.197 1.00 0.00 C ATOM 0 H ILE A 56 8.476 -3.994 20.780 1.00 0.00 H new ATOM 0 HA ILE A 56 5.480 -3.735 20.651 1.00 0.00 H new ATOM 0 HB ILE A 56 7.684 -1.677 20.152 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.437 -1.719 22.221 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.058 -2.288 22.568 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.811 -0.118 19.748 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.794 -1.451 18.569 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.652 -1.456 19.934 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.796 0.082 23.250 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.990 -0.061 21.937 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.344 0.517 21.585 1.00 0.00 H new ATOM 1691 N LYS A 57 5.446 -4.120 18.196 1.00 0.00 N ATOM 1692 CA LYS A 57 5.453 -4.495 16.753 1.00 0.00 C ATOM 1693 C LYS A 57 5.439 -3.219 15.905 1.00 0.00 C ATOM 1694 O LYS A 57 4.638 -2.332 16.117 1.00 0.00 O ATOM 1695 CB LYS A 57 4.211 -5.339 16.442 1.00 0.00 C ATOM 1696 CG LYS A 57 4.181 -5.748 14.961 1.00 0.00 C ATOM 1697 CD LYS A 57 5.409 -6.607 14.623 1.00 0.00 C ATOM 1698 CE LYS A 57 5.146 -7.423 13.355 1.00 0.00 C ATOM 1699 NZ LYS A 57 6.310 -8.316 13.095 1.00 0.00 N ATOM 0 H LYS A 57 4.526 -4.115 18.636 1.00 0.00 H new ATOM 0 HA LYS A 57 6.347 -5.075 16.523 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.206 -6.230 17.069 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.312 -4.773 16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.269 -6.305 14.748 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.165 -4.859 14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.281 -5.969 14.480 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.636 -7.275 15.454 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.238 -8.014 13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.987 -6.757 12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.135 -8.872 12.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.167 -7.741 12.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.441 -8.959 13.902 1.00 0.00 H new ATOM 1713 N LYS A 58 6.309 -3.127 14.936 1.00 0.00 N ATOM 1714 CA LYS A 58 6.328 -1.915 14.066 1.00 0.00 C ATOM 1715 C LYS A 58 5.256 -2.046 12.979 1.00 0.00 C ATOM 1716 O LYS A 58 5.166 -3.051 12.302 1.00 0.00 O ATOM 1717 CB LYS A 58 7.712 -1.773 13.424 1.00 0.00 C ATOM 1718 CG LYS A 58 8.734 -1.371 14.492 1.00 0.00 C ATOM 1719 CD LYS A 58 10.118 -1.228 13.850 1.00 0.00 C ATOM 1720 CE LYS A 58 11.154 -0.871 14.920 1.00 0.00 C ATOM 1721 NZ LYS A 58 11.304 -2.013 15.868 1.00 0.00 N ATOM 0 H LYS A 58 7.006 -3.836 14.709 1.00 0.00 H new ATOM 0 HA LYS A 58 6.118 -1.029 14.666 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.007 -2.714 12.960 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.682 -1.023 12.634 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.439 -0.430 14.957 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.764 -2.121 15.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.398 -2.159 13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.094 -0.455 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.112 -0.644 14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.843 0.024 15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.202 -1.920 16.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.514 -2.009 16.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.300 -2.907 15.337 1.00 0.00 H new ATOM 1735 N ARG A 59 4.437 -1.039 12.814 1.00 0.00 N ATOM 1736 CA ARG A 59 3.359 -1.091 11.779 1.00 0.00 C ATOM 1737 C ARG A 59 3.834 -0.352 10.528 1.00 0.00 C ATOM 1738 O ARG A 59 4.867 0.285 10.531 1.00 0.00 O ATOM 1739 CB ARG A 59 2.100 -0.410 12.318 1.00 0.00 C ATOM 1740 CG ARG A 59 1.634 -1.141 13.579 1.00 0.00 C ATOM 1741 CD ARG A 59 0.373 -0.473 14.136 1.00 0.00 C ATOM 1742 NE ARG A 59 0.240 -0.793 15.591 1.00 0.00 N ATOM 1743 CZ ARG A 59 0.316 -2.024 16.025 1.00 0.00 C ATOM 1744 NH1 ARG A 59 0.252 -3.025 15.192 1.00 0.00 N ATOM 1745 NH2 ARG A 59 0.387 -2.255 17.308 1.00 0.00 N ATOM 0 H ARG A 59 4.469 -0.176 13.356 1.00 0.00 H new ATOM 0 HA ARG A 59 3.134 -2.129 11.535 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.306 0.636 12.545 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.313 -0.423 11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.430 -2.187 13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.424 -1.128 14.330 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.427 0.606 13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.506 -0.822 13.594 1.00 0.00 H new ATOM 0 HE ARG A 59 0.087 -0.036 16.258 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.142 -2.851 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.312 -3.982 15.539 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.383 -1.477 17.967 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.446 -3.214 17.651 1.00 0.00 H new ATOM 1759 N ASN A 60 3.111 -0.462 9.448 1.00 0.00 N ATOM 1760 CA ASN A 60 3.553 0.203 8.190 1.00 0.00 C ATOM 1761 C ASN A 60 3.371 1.718 8.281 1.00 0.00 C ATOM 1762 O ASN A 60 2.917 2.253 9.273 1.00 0.00 O ATOM 1763 CB ASN A 60 2.755 -0.353 7.006 1.00 0.00 C ATOM 1764 CG ASN A 60 1.261 -0.093 7.210 1.00 0.00 C ATOM 1765 OD1 ASN A 60 0.507 -1.006 7.479 1.00 0.00 O ATOM 1766 ND2 ASN A 60 0.797 1.121 7.090 1.00 0.00 N ATOM 0 H ASN A 60 2.236 -0.982 9.382 1.00 0.00 H new ATOM 0 HA ASN A 60 4.613 -0.003 8.042 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.090 0.114 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.935 -1.423 6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.198 1.302 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.429 1.889 6.864 1.00 0.00 H new