USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 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 -24:sc= -0.659! USER MOD Set 1.2: A 15 CYS SG : rot -62:sc= 0.59 USER MOD Set 1.3: A 17 THR OG1 : rot 99:sc= -1.71! USER MOD Set 1.4: A 33 CYS SG : rot -131:sc= -0.118 USER MOD Set 1.5: A 36 CYS SG : rot 155:sc= 0.211 USER MOD Set 1.6: A 52 LYS NZ :NH3+ 178:sc= -0.278 (180deg=-0.984) USER MOD Set 2.1: A 20 THR OG1 : rot 89:sc= -0.419! USER MOD Set 2.2: A 34 ASN : amide:sc= -4! C(o=-4.4!,f=-2.9!) USER MOD Single : A 10 THR OG1 : rot 36:sc= 0.14 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00327 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 14 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.4) USER MOD Single : A 30 GLN : amide:sc= -6.34! C(o=-6.3!,f=-4.4!) USER MOD Single : A 41 LYS NZ :NH3+ 133:sc= -0.0645 (180deg=-0.674) USER MOD Single : A 43 HIS : no HE2:sc= -4.48! C(o=-4.5!,f=-9.4!) USER MOD Single : A 50 SER OG : rot -27:sc= 0.433 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.755 USER MOD Single : A 57 LYS NZ :NH3+ -127:sc= -1.6 (180deg=-4.12!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.00042) USER MOD ----------------------------------------------------------------- ATOM 955 N THR A 10 12.676 11.882 31.387 1.00 0.00 N ATOM 956 CA THR A 10 11.247 11.531 31.145 1.00 0.00 C ATOM 957 C THR A 10 11.033 10.030 31.363 1.00 0.00 C ATOM 958 O THR A 10 11.646 9.204 30.717 1.00 0.00 O ATOM 959 CB THR A 10 10.875 11.890 29.702 1.00 0.00 C ATOM 960 OG1 THR A 10 11.118 13.273 29.482 1.00 0.00 O ATOM 961 CG2 THR A 10 9.397 11.585 29.458 1.00 0.00 C ATOM 0 HA THR A 10 10.619 12.088 31.840 1.00 0.00 H new ATOM 0 HB THR A 10 11.481 11.299 29.015 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.915 13.549 29.981 1.00 0.00 H new ATOM 0 HG21 THR A 10 9.137 11.842 28.431 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.212 10.524 29.625 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.786 12.172 30.144 1.00 0.00 H new ATOM 969 N THR A 11 10.162 9.676 32.274 1.00 0.00 N ATOM 970 CA THR A 11 9.890 8.234 32.553 1.00 0.00 C ATOM 971 C THR A 11 8.395 8.051 32.849 1.00 0.00 C ATOM 972 O THR A 11 7.783 8.866 33.509 1.00 0.00 O ATOM 973 CB THR A 11 10.713 7.792 33.765 1.00 0.00 C ATOM 974 OG1 THR A 11 12.077 8.126 33.554 1.00 0.00 O ATOM 975 CG2 THR A 11 10.578 6.281 33.965 1.00 0.00 C ATOM 0 H THR A 11 9.623 10.331 32.841 1.00 0.00 H new ATOM 0 HA THR A 11 10.165 7.630 31.688 1.00 0.00 H new ATOM 0 HB THR A 11 10.345 8.302 34.656 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.606 7.845 34.330 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.167 5.974 34.830 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.531 6.028 34.131 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.940 5.763 33.077 1.00 0.00 H new ATOM 983 N CYS A 12 7.805 6.992 32.365 1.00 0.00 N ATOM 984 CA CYS A 12 6.353 6.764 32.617 1.00 0.00 C ATOM 985 C CYS A 12 6.132 6.481 34.106 1.00 0.00 C ATOM 986 O CYS A 12 6.510 5.444 34.615 1.00 0.00 O ATOM 987 CB CYS A 12 5.879 5.574 31.783 1.00 0.00 C ATOM 988 SG CYS A 12 4.083 5.656 31.591 1.00 0.00 S ATOM 0 H CYS A 12 8.266 6.274 31.806 1.00 0.00 H new ATOM 0 HA CYS A 12 5.785 7.651 32.335 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.362 5.585 30.806 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.162 4.640 32.268 1.00 0.00 H new ATOM 0 HG CYS A 12 3.573 6.346 32.568 1.00 0.00 H new ATOM 993 N THR A 13 5.502 7.393 34.797 1.00 0.00 N ATOM 994 CA THR A 13 5.248 7.196 36.254 1.00 0.00 C ATOM 995 C THR A 13 4.262 6.048 36.469 1.00 0.00 C ATOM 996 O THR A 13 4.058 5.602 37.580 1.00 0.00 O ATOM 997 CB THR A 13 4.664 8.480 36.855 1.00 0.00 C ATOM 998 OG1 THR A 13 3.630 8.968 36.013 1.00 0.00 O ATOM 999 CG2 THR A 13 5.763 9.536 36.990 1.00 0.00 C ATOM 0 H THR A 13 5.151 8.270 34.413 1.00 0.00 H new ATOM 0 HA THR A 13 6.192 6.955 36.743 1.00 0.00 H new ATOM 0 HB THR A 13 4.256 8.264 37.842 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.255 9.788 36.397 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.342 10.446 37.418 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.551 9.159 37.642 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.179 9.756 36.007 1.00 0.00 H new ATOM 1007 N ASN A 14 3.636 5.573 35.424 1.00 0.00 N ATOM 1008 CA ASN A 14 2.650 4.464 35.584 1.00 0.00 C ATOM 1009 C ASN A 14 3.288 3.114 35.247 1.00 0.00 C ATOM 1010 O ASN A 14 2.978 2.122 35.875 1.00 0.00 O ATOM 1011 CB ASN A 14 1.458 4.693 34.645 1.00 0.00 C ATOM 1012 CG ASN A 14 0.507 5.728 35.247 1.00 0.00 C ATOM 1013 OD1 ASN A 14 0.746 6.241 36.322 1.00 0.00 O ATOM 1014 ND2 ASN A 14 -0.581 6.044 34.600 1.00 0.00 N ATOM 0 H ASN A 14 3.765 5.905 34.468 1.00 0.00 H new ATOM 0 HA ASN A 14 2.318 4.453 36.622 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.812 5.035 33.672 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.929 3.754 34.480 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.232 6.722 34.997 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.781 5.613 33.697 1.00 0.00 H new ATOM 1021 N CYS A 15 4.134 3.040 34.244 1.00 0.00 N ATOM 1022 CA CYS A 15 4.723 1.710 33.870 1.00 0.00 C ATOM 1023 C CYS A 15 6.236 1.809 33.633 1.00 0.00 C ATOM 1024 O CYS A 15 6.872 0.827 33.309 1.00 0.00 O ATOM 1025 CB CYS A 15 4.028 1.197 32.600 1.00 0.00 C ATOM 1026 SG CYS A 15 4.736 1.986 31.130 1.00 0.00 S ATOM 0 H CYS A 15 4.439 3.830 33.675 1.00 0.00 H new ATOM 0 HA CYS A 15 4.564 1.016 34.695 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.139 0.115 32.529 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.959 1.405 32.653 1.00 0.00 H new ATOM 0 HG CYS A 15 4.537 3.269 31.188 1.00 0.00 H new ATOM 1031 N PHE A 16 6.824 2.965 33.791 1.00 0.00 N ATOM 1032 CA PHE A 16 8.298 3.086 33.578 1.00 0.00 C ATOM 1033 C PHE A 16 8.690 2.527 32.207 1.00 0.00 C ATOM 1034 O PHE A 16 9.636 1.776 32.072 1.00 0.00 O ATOM 1035 CB PHE A 16 9.030 2.306 34.663 1.00 0.00 C ATOM 1036 CG PHE A 16 8.827 2.987 35.995 1.00 0.00 C ATOM 1037 CD1 PHE A 16 7.639 2.789 36.708 1.00 0.00 C ATOM 1038 CD2 PHE A 16 9.830 3.808 36.520 1.00 0.00 C ATOM 1039 CE1 PHE A 16 7.454 3.414 37.947 1.00 0.00 C ATOM 1040 CE2 PHE A 16 9.646 4.434 37.758 1.00 0.00 C ATOM 1041 CZ PHE A 16 8.459 4.237 38.472 1.00 0.00 C ATOM 0 H PHE A 16 6.351 3.828 34.057 1.00 0.00 H new ATOM 0 HA PHE A 16 8.573 4.140 33.623 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.657 1.283 34.705 1.00 0.00 H new ATOM 0 HB3 PHE A 16 10.093 2.248 34.430 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.865 2.154 36.302 1.00 0.00 H new ATOM 0 HD2 PHE A 16 10.747 3.959 35.970 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.537 3.262 38.498 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.420 5.069 38.162 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.317 4.719 39.428 1.00 0.00 H new ATOM 1051 N THR A 17 7.994 2.933 31.190 1.00 0.00 N ATOM 1052 CA THR A 17 8.330 2.492 29.808 1.00 0.00 C ATOM 1053 C THR A 17 9.437 3.394 29.242 1.00 0.00 C ATOM 1054 O THR A 17 9.206 4.556 28.974 1.00 0.00 O ATOM 1055 CB THR A 17 7.060 2.570 28.950 1.00 0.00 C ATOM 1056 OG1 THR A 17 6.342 1.354 29.073 1.00 0.00 O ATOM 1057 CG2 THR A 17 7.399 2.811 27.477 1.00 0.00 C ATOM 0 H THR A 17 7.193 3.562 31.255 1.00 0.00 H new ATOM 0 HA THR A 17 8.695 1.465 29.807 1.00 0.00 H new ATOM 0 HB THR A 17 6.456 3.406 29.302 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.613 1.468 29.718 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.479 2.861 26.895 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.943 3.750 27.378 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.017 1.993 27.107 1.00 0.00 H new ATOM 1065 N GLN A 18 10.635 2.903 29.067 1.00 0.00 N ATOM 1066 CA GLN A 18 11.716 3.784 28.531 1.00 0.00 C ATOM 1067 C GLN A 18 11.711 3.740 27.005 1.00 0.00 C ATOM 1068 O GLN A 18 12.507 4.394 26.359 1.00 0.00 O ATOM 1069 CB GLN A 18 13.070 3.290 29.041 1.00 0.00 C ATOM 1070 CG GLN A 18 13.147 3.497 30.554 1.00 0.00 C ATOM 1071 CD GLN A 18 14.498 3.003 31.070 1.00 0.00 C ATOM 1072 OE1 GLN A 18 15.396 2.729 30.298 1.00 0.00 O ATOM 1073 NE2 GLN A 18 14.678 2.870 32.354 1.00 0.00 N ATOM 0 H GLN A 18 10.911 1.942 29.269 1.00 0.00 H new ATOM 0 HA GLN A 18 11.543 4.807 28.865 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.199 2.235 28.800 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.877 3.831 28.547 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.018 4.552 30.794 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.338 2.957 31.047 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.924 3.100 33.001 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.573 2.536 32.712 1.00 0.00 H new ATOM 1082 N THR A 19 10.805 2.994 26.425 1.00 0.00 N ATOM 1083 CA THR A 19 10.715 2.923 24.935 1.00 0.00 C ATOM 1084 C THR A 19 9.283 3.262 24.513 1.00 0.00 C ATOM 1085 O THR A 19 8.347 2.567 24.854 1.00 0.00 O ATOM 1086 CB THR A 19 11.072 1.511 24.460 1.00 0.00 C ATOM 1087 OG1 THR A 19 12.426 1.238 24.792 1.00 0.00 O ATOM 1088 CG2 THR A 19 10.891 1.409 22.941 1.00 0.00 C ATOM 0 H THR A 19 10.119 2.427 26.924 1.00 0.00 H new ATOM 0 HA THR A 19 11.412 3.632 24.488 1.00 0.00 H new ATOM 0 HB THR A 19 10.416 0.789 24.947 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.661 0.335 24.492 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.147 0.402 22.611 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.854 1.623 22.683 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.544 2.129 22.448 1.00 0.00 H new ATOM 1096 N THR A 20 9.104 4.318 23.765 1.00 0.00 N ATOM 1097 CA THR A 20 7.730 4.685 23.319 1.00 0.00 C ATOM 1098 C THR A 20 7.812 5.628 22.110 1.00 0.00 C ATOM 1099 O THR A 20 8.697 6.458 22.038 1.00 0.00 O ATOM 1100 CB THR A 20 6.987 5.401 24.452 1.00 0.00 C ATOM 1101 OG1 THR A 20 5.740 5.880 23.965 1.00 0.00 O ATOM 1102 CG2 THR A 20 7.822 6.579 24.955 1.00 0.00 C ATOM 0 H THR A 20 9.847 4.940 23.445 1.00 0.00 H new ATOM 0 HA THR A 20 7.196 3.775 23.045 1.00 0.00 H new ATOM 0 HB THR A 20 6.819 4.703 25.273 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.057 5.186 24.076 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.289 7.085 25.760 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.780 6.214 25.326 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.993 7.279 24.137 1.00 0.00 H new ATOM 1110 N PRO A 21 6.899 5.530 21.170 1.00 0.00 N ATOM 1111 CA PRO A 21 6.899 6.428 19.981 1.00 0.00 C ATOM 1112 C PRO A 21 6.283 7.798 20.295 1.00 0.00 C ATOM 1113 O PRO A 21 6.451 8.748 19.556 1.00 0.00 O ATOM 1114 CB PRO A 21 6.046 5.660 18.969 1.00 0.00 C ATOM 1115 CG PRO A 21 5.062 4.903 19.803 1.00 0.00 C ATOM 1116 CD PRO A 21 5.783 4.564 21.114 1.00 0.00 C ATOM 0 HA PRO A 21 7.904 6.650 19.623 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.543 6.338 18.279 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.656 4.987 18.366 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.171 5.501 19.992 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.735 3.997 19.293 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.120 4.670 21.973 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.145 3.536 21.116 1.00 0.00 H new ATOM 1124 N LEU A 22 5.552 7.902 21.375 1.00 0.00 N ATOM 1125 CA LEU A 22 4.910 9.210 21.717 1.00 0.00 C ATOM 1126 C LEU A 22 4.649 9.301 23.225 1.00 0.00 C ATOM 1127 O LEU A 22 3.979 8.474 23.813 1.00 0.00 O ATOM 1128 CB LEU A 22 3.595 9.316 20.932 1.00 0.00 C ATOM 1129 CG LEU A 22 2.728 10.486 21.420 1.00 0.00 C ATOM 1130 CD1 LEU A 22 3.475 11.814 21.304 1.00 0.00 C ATOM 1131 CD2 LEU A 22 1.478 10.558 20.545 1.00 0.00 C ATOM 0 H LEU A 22 5.372 7.143 22.033 1.00 0.00 H new ATOM 0 HA LEU A 22 5.571 10.034 21.448 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.815 9.445 19.872 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.037 8.385 21.031 1.00 0.00 H new ATOM 0 HG LEU A 22 2.473 10.319 22.467 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.836 12.623 21.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.380 11.776 21.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.743 11.991 20.262 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.849 11.384 20.877 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.769 10.718 19.507 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.923 9.624 20.626 1.00 0.00 H new ATOM 1143 N TRP A 23 5.189 10.317 23.844 1.00 0.00 N ATOM 1144 CA TRP A 23 5.000 10.504 25.312 1.00 0.00 C ATOM 1145 C TRP A 23 3.656 11.192 25.574 1.00 0.00 C ATOM 1146 O TRP A 23 3.351 12.219 25.004 1.00 0.00 O ATOM 1147 CB TRP A 23 6.136 11.370 25.869 1.00 0.00 C ATOM 1148 CG TRP A 23 7.381 10.551 26.003 1.00 0.00 C ATOM 1149 CD1 TRP A 23 8.430 10.576 25.149 1.00 0.00 C ATOM 1150 CD2 TRP A 23 7.723 9.587 27.042 1.00 0.00 C ATOM 1151 NE1 TRP A 23 9.392 9.689 25.598 1.00 0.00 N ATOM 1152 CE2 TRP A 23 9.003 9.054 26.761 1.00 0.00 C ATOM 1153 CE3 TRP A 23 7.050 9.131 28.188 1.00 0.00 C ATOM 1154 CZ2 TRP A 23 9.594 8.098 27.591 1.00 0.00 C ATOM 1155 CZ3 TRP A 23 7.641 8.171 29.024 1.00 0.00 C ATOM 1156 CH2 TRP A 23 8.910 7.655 28.727 1.00 0.00 C ATOM 0 H TRP A 23 5.758 11.032 23.391 1.00 0.00 H new ATOM 0 HA TRP A 23 5.010 9.532 25.804 1.00 0.00 H new ATOM 0 HB2 TRP A 23 6.317 12.217 25.208 1.00 0.00 H new ATOM 0 HB3 TRP A 23 5.852 11.778 26.839 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.504 11.188 24.262 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.281 9.524 25.127 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.072 9.522 28.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 10.572 7.704 27.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 7.114 7.827 29.902 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.359 6.916 29.375 1.00 0.00 H new ATOM 1167 N ARG A 24 2.851 10.619 26.431 1.00 0.00 N ATOM 1168 CA ARG A 24 1.513 11.200 26.752 1.00 0.00 C ATOM 1169 C ARG A 24 1.564 11.760 28.179 1.00 0.00 C ATOM 1170 O ARG A 24 2.578 11.668 28.843 1.00 0.00 O ATOM 1171 CB ARG A 24 0.463 10.082 26.663 1.00 0.00 C ATOM 1172 CG ARG A 24 0.459 9.462 25.255 1.00 0.00 C ATOM 1173 CD ARG A 24 -0.347 10.334 24.283 1.00 0.00 C ATOM 1174 NE ARG A 24 -0.397 9.686 22.938 1.00 0.00 N ATOM 1175 CZ ARG A 24 -1.295 10.062 22.063 1.00 0.00 C ATOM 1176 NH1 ARG A 24 -2.215 10.924 22.403 1.00 0.00 N ATOM 1177 NH2 ARG A 24 -1.283 9.557 20.855 1.00 0.00 N ATOM 0 H ARG A 24 3.069 9.757 26.931 1.00 0.00 H new ATOM 0 HA ARG A 24 1.253 11.997 26.055 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.677 9.313 27.405 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.524 10.482 26.894 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.482 9.357 24.895 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.031 8.460 25.294 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.358 10.479 24.664 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.108 11.321 24.204 1.00 0.00 H new ATOM 0 HE ARG A 24 0.269 8.950 22.701 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.233 11.304 23.350 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.915 11.218 21.722 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.574 8.871 20.596 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.983 9.850 20.173 1.00 0.00 H new ATOM 1191 N ARG A 25 0.497 12.349 28.660 1.00 0.00 N ATOM 1192 CA ARG A 25 0.513 12.916 30.046 1.00 0.00 C ATOM 1193 C ARG A 25 -0.829 12.652 30.737 1.00 0.00 C ATOM 1194 O ARG A 25 -1.839 12.434 30.101 1.00 0.00 O ATOM 1195 CB ARG A 25 0.786 14.431 29.985 1.00 0.00 C ATOM 1196 CG ARG A 25 0.150 15.049 28.733 1.00 0.00 C ATOM 1197 CD ARG A 25 -1.368 14.842 28.748 1.00 0.00 C ATOM 1198 NE ARG A 25 -2.017 15.904 27.932 1.00 0.00 N ATOM 1199 CZ ARG A 25 -3.267 15.779 27.579 1.00 0.00 C ATOM 1200 NH1 ARG A 25 -3.944 14.726 27.945 1.00 0.00 N ATOM 1201 NH2 ARG A 25 -3.839 16.702 26.861 1.00 0.00 N ATOM 0 H ARG A 25 -0.382 12.462 28.155 1.00 0.00 H new ATOM 0 HA ARG A 25 1.304 12.433 30.620 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.387 14.913 30.877 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.861 14.611 29.979 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.378 16.114 28.689 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.577 14.595 27.839 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.616 13.858 28.350 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.741 14.875 29.772 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.486 16.728 27.649 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.496 14.002 28.506 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.921 14.627 27.670 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.310 17.525 26.573 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.816 16.602 26.586 1.00 0.00 H new ATOM 1215 N ASN A 26 -0.840 12.671 32.043 1.00 0.00 N ATOM 1216 CA ASN A 26 -2.110 12.429 32.789 1.00 0.00 C ATOM 1217 C ASN A 26 -2.820 13.779 32.968 1.00 0.00 C ATOM 1218 O ASN A 26 -2.167 14.772 33.220 1.00 0.00 O ATOM 1219 CB ASN A 26 -1.776 11.848 34.169 1.00 0.00 C ATOM 1220 CG ASN A 26 -3.030 11.247 34.805 1.00 0.00 C ATOM 1221 OD1 ASN A 26 -3.635 11.851 35.668 1.00 0.00 O ATOM 1222 ND2 ASN A 26 -3.450 10.074 34.415 1.00 0.00 N ATOM 0 H ASN A 26 -0.022 12.844 32.627 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.748 11.732 32.246 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.005 11.083 34.073 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.371 12.629 34.813 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.285 9.666 34.835 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.943 9.566 33.690 1.00 0.00 H new ATOM 1229 N PRO A 27 -4.125 13.854 32.849 1.00 0.00 N ATOM 1230 CA PRO A 27 -4.833 15.152 33.022 1.00 0.00 C ATOM 1231 C PRO A 27 -4.384 15.858 34.311 1.00 0.00 C ATOM 1232 O PRO A 27 -4.735 16.994 34.563 1.00 0.00 O ATOM 1233 CB PRO A 27 -6.332 14.786 33.064 1.00 0.00 C ATOM 1234 CG PRO A 27 -6.403 13.285 33.083 1.00 0.00 C ATOM 1235 CD PRO A 27 -5.068 12.764 32.546 1.00 0.00 C ATOM 0 HA PRO A 27 -4.614 15.851 32.215 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.810 15.208 33.948 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.854 15.188 32.196 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.580 12.921 34.095 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.230 12.931 32.468 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.775 11.834 33.033 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.117 12.562 31.476 1.00 0.00 H new ATOM 1243 N GLU A 28 -3.603 15.189 35.122 1.00 0.00 N ATOM 1244 CA GLU A 28 -3.116 15.800 36.394 1.00 0.00 C ATOM 1245 C GLU A 28 -1.704 16.359 36.179 1.00 0.00 C ATOM 1246 O GLU A 28 -1.040 16.777 37.106 1.00 0.00 O ATOM 1247 CB GLU A 28 -3.087 14.729 37.485 1.00 0.00 C ATOM 1248 CG GLU A 28 -4.517 14.301 37.821 1.00 0.00 C ATOM 1249 CD GLU A 28 -4.482 13.192 38.875 1.00 0.00 C ATOM 1250 OE1 GLU A 28 -3.396 12.718 39.170 1.00 0.00 O ATOM 1251 OE2 GLU A 28 -5.540 12.832 39.365 1.00 0.00 O ATOM 0 H GLU A 28 -3.280 14.236 34.954 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.781 16.609 36.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.508 13.869 37.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.594 15.116 38.376 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.085 15.153 38.193 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.023 13.948 36.923 1.00 0.00 H new ATOM 1258 N GLY A 29 -1.251 16.388 34.955 1.00 0.00 N ATOM 1259 CA GLY A 29 0.103 16.943 34.662 1.00 0.00 C ATOM 1260 C GLY A 29 1.208 15.901 34.869 1.00 0.00 C ATOM 1261 O GLY A 29 2.376 16.218 34.760 1.00 0.00 O ATOM 0 H GLY A 29 -1.763 16.049 34.140 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.132 17.303 33.634 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.290 17.802 35.306 1.00 0.00 H new ATOM 1265 N GLN A 30 0.878 14.665 35.140 1.00 0.00 N ATOM 1266 CA GLN A 30 1.954 13.637 35.315 1.00 0.00 C ATOM 1267 C GLN A 30 2.261 13.014 33.944 1.00 0.00 C ATOM 1268 O GLN A 30 1.382 12.915 33.110 1.00 0.00 O ATOM 1269 CB GLN A 30 1.492 12.553 36.296 1.00 0.00 C ATOM 1270 CG GLN A 30 1.623 13.067 37.734 1.00 0.00 C ATOM 1271 CD GLN A 30 0.927 14.423 37.863 1.00 0.00 C ATOM 1272 OE1 GLN A 30 1.567 15.454 37.821 1.00 0.00 O ATOM 1273 NE2 GLN A 30 -0.366 14.465 38.014 1.00 0.00 N ATOM 0 H GLN A 30 -0.077 14.323 35.247 1.00 0.00 H new ATOM 0 HA GLN A 30 2.852 14.104 35.719 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.457 12.280 36.090 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.091 11.652 36.166 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.180 12.353 38.427 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.675 13.161 38.002 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.904 13.599 38.049 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.841 15.364 38.097 1.00 0.00 H new ATOM 1282 N PRO A 31 3.487 12.616 33.689 1.00 0.00 N ATOM 1283 CA PRO A 31 3.879 12.022 32.373 1.00 0.00 C ATOM 1284 C PRO A 31 3.473 10.551 32.214 1.00 0.00 C ATOM 1285 O PRO A 31 3.542 9.768 33.139 1.00 0.00 O ATOM 1286 CB PRO A 31 5.404 12.156 32.377 1.00 0.00 C ATOM 1287 CG PRO A 31 5.774 12.011 33.814 1.00 0.00 C ATOM 1288 CD PRO A 31 4.643 12.680 34.606 1.00 0.00 C ATOM 0 HA PRO A 31 3.380 12.526 31.545 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.874 11.387 31.764 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.721 13.120 31.978 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.875 10.961 34.088 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.732 12.488 34.021 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.443 12.154 35.540 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.891 13.709 34.866 1.00 0.00 H new ATOM 1296 N LEU A 32 3.082 10.184 31.022 1.00 0.00 N ATOM 1297 CA LEU A 32 2.688 8.772 30.723 1.00 0.00 C ATOM 1298 C LEU A 32 3.360 8.370 29.413 1.00 0.00 C ATOM 1299 O LEU A 32 3.733 9.219 28.628 1.00 0.00 O ATOM 1300 CB LEU A 32 1.170 8.674 30.538 1.00 0.00 C ATOM 1301 CG LEU A 32 0.437 9.086 31.816 1.00 0.00 C ATOM 1302 CD1 LEU A 32 -1.073 9.039 31.561 1.00 0.00 C ATOM 1303 CD2 LEU A 32 0.785 8.125 32.963 1.00 0.00 C ATOM 0 H LEU A 32 3.017 10.817 30.225 1.00 0.00 H new ATOM 0 HA LEU A 32 2.990 8.122 31.544 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.858 9.314 29.713 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.897 7.653 30.270 1.00 0.00 H new ATOM 0 HG LEU A 32 0.742 10.095 32.094 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.604 9.331 32.467 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.327 9.726 30.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.363 8.026 31.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.257 8.430 33.866 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.486 7.112 32.692 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.859 8.150 33.145 1.00 0.00 H new ATOM 1315 N CYS A 33 3.496 7.102 29.127 1.00 0.00 N ATOM 1316 CA CYS A 33 4.115 6.721 27.826 1.00 0.00 C ATOM 1317 C CYS A 33 3.031 6.731 26.751 1.00 0.00 C ATOM 1318 O CYS A 33 2.171 7.590 26.738 1.00 0.00 O ATOM 1319 CB CYS A 33 4.755 5.336 27.917 1.00 0.00 C ATOM 1320 SG CYS A 33 3.499 4.076 28.244 1.00 0.00 S ATOM 0 H CYS A 33 3.211 6.327 29.726 1.00 0.00 H new ATOM 0 HA CYS A 33 4.899 7.435 27.573 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.274 5.107 26.986 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.503 5.326 28.710 1.00 0.00 H new ATOM 0 HG CYS A 33 3.883 3.327 29.234 1.00 0.00 H new ATOM 1325 N ASN A 34 3.065 5.800 25.839 1.00 0.00 N ATOM 1326 CA ASN A 34 2.035 5.789 24.760 1.00 0.00 C ATOM 1327 C ASN A 34 0.719 5.154 25.238 1.00 0.00 C ATOM 1328 O ASN A 34 -0.292 5.816 25.356 1.00 0.00 O ATOM 1329 CB ASN A 34 2.580 4.999 23.562 1.00 0.00 C ATOM 1330 CG ASN A 34 3.367 3.782 24.055 1.00 0.00 C ATOM 1331 OD1 ASN A 34 4.555 3.870 24.299 1.00 0.00 O ATOM 1332 ND2 ASN A 34 2.755 2.641 24.212 1.00 0.00 N ATOM 0 H ASN A 34 3.756 5.051 25.793 1.00 0.00 H new ATOM 0 HA ASN A 34 1.823 6.820 24.476 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.758 4.677 22.923 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.223 5.638 22.956 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.273 1.825 24.539 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.759 2.564 24.008 1.00 0.00 H new ATOM 1339 N ALA A 35 0.710 3.866 25.454 1.00 0.00 N ATOM 1340 CA ALA A 35 -0.546 3.158 25.849 1.00 0.00 C ATOM 1341 C ALA A 35 -1.089 3.566 27.227 1.00 0.00 C ATOM 1342 O ALA A 35 -2.280 3.515 27.448 1.00 0.00 O ATOM 1343 CB ALA A 35 -0.280 1.652 25.837 1.00 0.00 C ATOM 0 H ALA A 35 1.530 3.265 25.373 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.310 3.442 25.126 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.187 1.120 26.123 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.021 1.344 24.836 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.516 1.418 26.543 1.00 0.00 H new ATOM 1349 N CYS A 36 -0.268 3.937 28.170 1.00 0.00 N ATOM 1350 CA CYS A 36 -0.827 4.293 29.511 1.00 0.00 C ATOM 1351 C CYS A 36 -1.856 5.419 29.376 1.00 0.00 C ATOM 1352 O CYS A 36 -2.993 5.289 29.785 1.00 0.00 O ATOM 1353 CB CYS A 36 0.301 4.762 30.434 1.00 0.00 C ATOM 1354 SG CYS A 36 1.219 3.342 31.068 1.00 0.00 S ATOM 0 H CYS A 36 0.745 4.009 28.078 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.309 3.410 29.931 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.973 5.426 29.890 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.113 5.336 31.263 1.00 0.00 H new ATOM 0 HG CYS A 36 2.422 3.713 31.392 1.00 0.00 H new ATOM 1359 N GLY A 37 -1.460 6.523 28.808 1.00 0.00 N ATOM 1360 CA GLY A 37 -2.407 7.663 28.651 1.00 0.00 C ATOM 1361 C GLY A 37 -3.589 7.251 27.767 1.00 0.00 C ATOM 1362 O GLY A 37 -4.732 7.516 28.084 1.00 0.00 O ATOM 0 H GLY A 37 -0.521 6.686 28.445 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.768 7.982 29.629 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.892 8.515 28.208 1.00 0.00 H new ATOM 1366 N LEU A 38 -3.330 6.608 26.662 1.00 0.00 N ATOM 1367 CA LEU A 38 -4.444 6.186 25.766 1.00 0.00 C ATOM 1368 C LEU A 38 -5.308 5.122 26.456 1.00 0.00 C ATOM 1369 O LEU A 38 -6.520 5.154 26.400 1.00 0.00 O ATOM 1370 CB LEU A 38 -3.849 5.586 24.485 1.00 0.00 C ATOM 1371 CG LEU A 38 -3.094 6.662 23.685 1.00 0.00 C ATOM 1372 CD1 LEU A 38 -2.113 5.994 22.714 1.00 0.00 C ATOM 1373 CD2 LEU A 38 -4.078 7.513 22.873 1.00 0.00 C ATOM 0 H LEU A 38 -2.395 6.356 26.340 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.063 7.053 25.532 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.171 4.771 24.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.644 5.160 23.873 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.555 7.297 24.388 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.581 6.760 22.150 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.397 5.394 23.276 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.663 5.353 22.025 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.528 8.269 22.313 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.625 6.874 22.180 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.781 8.001 23.549 1.00 0.00 H new ATOM 1385 N PHE A 39 -4.682 4.176 27.100 1.00 0.00 N ATOM 1386 CA PHE A 39 -5.445 3.090 27.782 1.00 0.00 C ATOM 1387 C PHE A 39 -6.189 3.602 29.018 1.00 0.00 C ATOM 1388 O PHE A 39 -7.365 3.352 29.190 1.00 0.00 O ATOM 1389 CB PHE A 39 -4.483 1.979 28.210 1.00 0.00 C ATOM 1390 CG PHE A 39 -5.262 0.895 28.913 1.00 0.00 C ATOM 1391 CD1 PHE A 39 -5.904 -0.100 28.167 1.00 0.00 C ATOM 1392 CD2 PHE A 39 -5.351 0.891 30.309 1.00 0.00 C ATOM 1393 CE1 PHE A 39 -6.640 -1.097 28.819 1.00 0.00 C ATOM 1394 CE2 PHE A 39 -6.081 -0.107 30.962 1.00 0.00 C ATOM 1395 CZ PHE A 39 -6.727 -1.100 30.216 1.00 0.00 C ATOM 0 H PHE A 39 -3.668 4.107 27.184 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.181 2.711 27.073 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.970 1.569 27.340 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.716 2.380 28.872 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.832 -0.099 27.089 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.855 1.660 30.883 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.140 -1.863 28.245 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.146 -0.112 32.040 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.293 -1.870 30.719 1.00 0.00 H new ATOM 1405 N LEU A 40 -5.505 4.263 29.907 1.00 0.00 N ATOM 1406 CA LEU A 40 -6.171 4.721 31.157 1.00 0.00 C ATOM 1407 C LEU A 40 -7.334 5.665 30.828 1.00 0.00 C ATOM 1408 O LEU A 40 -8.436 5.496 31.312 1.00 0.00 O ATOM 1409 CB LEU A 40 -5.134 5.442 32.027 1.00 0.00 C ATOM 1410 CG LEU A 40 -5.753 5.881 33.361 1.00 0.00 C ATOM 1411 CD1 LEU A 40 -6.265 4.654 34.135 1.00 0.00 C ATOM 1412 CD2 LEU A 40 -4.680 6.596 34.189 1.00 0.00 C ATOM 0 H LEU A 40 -4.518 4.506 29.824 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.574 3.863 31.694 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.287 4.782 32.214 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.749 6.312 31.496 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.591 6.552 33.172 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.702 4.976 35.080 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.021 4.139 33.542 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.435 3.976 34.332 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.106 6.914 35.140 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.849 5.915 34.373 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.320 7.468 33.643 1.00 0.00 H new ATOM 1424 N LYS A 41 -7.100 6.656 30.013 1.00 0.00 N ATOM 1425 CA LYS A 41 -8.188 7.614 29.654 1.00 0.00 C ATOM 1426 C LYS A 41 -9.344 6.885 28.958 1.00 0.00 C ATOM 1427 O LYS A 41 -10.500 7.126 29.238 1.00 0.00 O ATOM 1428 CB LYS A 41 -7.624 8.677 28.709 1.00 0.00 C ATOM 1429 CG LYS A 41 -8.684 9.748 28.437 1.00 0.00 C ATOM 1430 CD LYS A 41 -8.109 10.784 27.467 1.00 0.00 C ATOM 1431 CE LYS A 41 -9.106 11.929 27.277 1.00 0.00 C ATOM 1432 NZ LYS A 41 -9.319 12.626 28.576 1.00 0.00 N ATOM 0 H LYS A 41 -6.198 6.846 29.577 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.565 8.077 30.566 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.738 9.134 29.149 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.313 8.215 27.772 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.579 9.293 28.014 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.981 10.229 29.369 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.166 11.172 27.852 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.893 10.315 26.507 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.731 12.632 26.533 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.053 11.542 26.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.256 13.654 28.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.259 12.385 28.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.590 12.326 29.255 1.00 0.00 H new ATOM 1446 N LEU A 42 -9.038 6.030 28.020 1.00 0.00 N ATOM 1447 CA LEU A 42 -10.116 5.325 27.264 1.00 0.00 C ATOM 1448 C LEU A 42 -10.844 4.306 28.148 1.00 0.00 C ATOM 1449 O LEU A 42 -12.030 4.093 27.995 1.00 0.00 O ATOM 1450 CB LEU A 42 -9.508 4.597 26.059 1.00 0.00 C ATOM 1451 CG LEU A 42 -9.038 5.613 25.005 1.00 0.00 C ATOM 1452 CD1 LEU A 42 -8.246 4.879 23.915 1.00 0.00 C ATOM 1453 CD2 LEU A 42 -10.243 6.331 24.367 1.00 0.00 C ATOM 0 H LEU A 42 -8.087 5.788 27.743 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.836 6.072 26.931 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.668 3.983 26.382 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.245 3.924 25.622 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.406 6.357 25.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.910 5.595 23.165 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.381 4.389 24.362 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.883 4.131 23.443 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.889 7.046 23.624 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.890 5.598 23.886 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.803 6.858 25.139 1.00 0.00 H new ATOM 1465 N HIS A 43 -10.158 3.646 29.043 1.00 0.00 N ATOM 1466 CA HIS A 43 -10.838 2.615 29.887 1.00 0.00 C ATOM 1467 C HIS A 43 -11.357 3.232 31.191 1.00 0.00 C ATOM 1468 O HIS A 43 -12.425 2.889 31.657 1.00 0.00 O ATOM 1469 CB HIS A 43 -9.838 1.501 30.202 1.00 0.00 C ATOM 1470 CG HIS A 43 -9.507 0.769 28.929 1.00 0.00 C ATOM 1471 ND1 HIS A 43 -8.568 1.244 28.026 1.00 0.00 N ATOM 1472 CD2 HIS A 43 -9.993 -0.396 28.384 1.00 0.00 C ATOM 1473 CE1 HIS A 43 -8.520 0.378 26.997 1.00 0.00 C ATOM 1474 NE2 HIS A 43 -9.367 -0.639 27.166 1.00 0.00 N ATOM 0 H HIS A 43 -9.163 3.773 29.227 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.691 2.212 29.341 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.933 1.920 30.642 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -10.259 0.812 30.934 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -8.014 2.095 28.124 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.746 -1.026 28.833 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -7.874 0.492 26.139 1.00 0.00 H new ATOM 1482 N GLY A 44 -10.640 4.157 31.768 1.00 0.00 N ATOM 1483 CA GLY A 44 -11.130 4.809 33.019 1.00 0.00 C ATOM 1484 C GLY A 44 -11.247 3.811 34.180 1.00 0.00 C ATOM 1485 O GLY A 44 -11.876 4.106 35.178 1.00 0.00 O ATOM 0 H GLY A 44 -9.737 4.490 31.429 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.449 5.613 33.299 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.103 5.265 32.833 1.00 0.00 H new ATOM 1489 N VAL A 45 -10.657 2.644 34.082 1.00 0.00 N ATOM 1490 CA VAL A 45 -10.753 1.662 35.214 1.00 0.00 C ATOM 1491 C VAL A 45 -9.422 0.929 35.400 1.00 0.00 C ATOM 1492 O VAL A 45 -8.731 0.608 34.454 1.00 0.00 O ATOM 1493 CB VAL A 45 -11.858 0.638 34.942 1.00 0.00 C ATOM 1494 CG1 VAL A 45 -13.230 1.293 35.111 1.00 0.00 C ATOM 1495 CG2 VAL A 45 -11.722 0.101 33.516 1.00 0.00 C ATOM 0 H VAL A 45 -10.117 2.329 33.276 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.990 2.216 36.122 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.763 -0.184 35.652 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.011 0.558 34.916 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.331 1.668 36.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.327 2.121 34.408 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.510 -0.628 33.325 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.810 0.924 32.807 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.749 -0.377 33.398 1.00 0.00 H new ATOM 1505 N VAL A 46 -9.069 0.671 36.629 1.00 0.00 N ATOM 1506 CA VAL A 46 -7.791 -0.036 36.930 1.00 0.00 C ATOM 1507 C VAL A 46 -7.767 -1.413 36.258 1.00 0.00 C ATOM 1508 O VAL A 46 -8.759 -2.114 36.221 1.00 0.00 O ATOM 1509 CB VAL A 46 -7.664 -0.200 38.446 1.00 0.00 C ATOM 1510 CG1 VAL A 46 -7.596 1.183 39.095 1.00 0.00 C ATOM 1511 CG2 VAL A 46 -8.883 -0.954 38.985 1.00 0.00 C ATOM 0 H VAL A 46 -9.620 0.924 37.450 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.956 0.549 36.544 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.760 -0.763 38.678 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.505 1.074 40.176 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.730 1.723 38.711 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.504 1.740 38.861 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.791 -1.070 40.065 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.789 -0.392 38.756 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.938 -1.937 38.518 1.00 0.00 H new ATOM 1521 N ARG A 47 -6.634 -1.808 35.735 1.00 0.00 N ATOM 1522 CA ARG A 47 -6.524 -3.140 35.070 1.00 0.00 C ATOM 1523 C ARG A 47 -5.046 -3.570 35.109 1.00 0.00 C ATOM 1524 O ARG A 47 -4.173 -2.755 34.882 1.00 0.00 O ATOM 1525 CB ARG A 47 -7.014 -3.008 33.619 1.00 0.00 C ATOM 1526 CG ARG A 47 -7.381 -4.387 33.052 1.00 0.00 C ATOM 1527 CD ARG A 47 -8.142 -4.251 31.723 1.00 0.00 C ATOM 1528 NE ARG A 47 -9.050 -5.428 31.543 1.00 0.00 N ATOM 1529 CZ ARG A 47 -8.621 -6.652 31.717 1.00 0.00 C ATOM 1530 NH1 ARG A 47 -7.345 -6.899 31.836 1.00 0.00 N ATOM 1531 NH2 ARG A 47 -9.468 -7.644 31.706 1.00 0.00 N ATOM 0 H ARG A 47 -5.774 -1.260 35.741 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.132 -3.889 35.577 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.881 -2.349 33.580 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.237 -2.550 33.006 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.475 -4.974 32.898 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.994 -4.929 33.772 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.721 -3.328 31.716 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.438 -4.192 30.893 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.023 -5.273 31.279 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.671 -6.134 31.794 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.021 -7.857 31.971 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.462 -7.465 31.562 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.137 -8.599 31.841 1.00 0.00 H new ATOM 1545 N PRO A 48 -4.741 -4.814 35.413 1.00 0.00 N ATOM 1546 CA PRO A 48 -3.331 -5.291 35.496 1.00 0.00 C ATOM 1547 C PRO A 48 -2.387 -4.626 34.489 1.00 0.00 C ATOM 1548 O PRO A 48 -2.442 -4.885 33.303 1.00 0.00 O ATOM 1549 CB PRO A 48 -3.460 -6.785 35.212 1.00 0.00 C ATOM 1550 CG PRO A 48 -4.778 -7.163 35.813 1.00 0.00 C ATOM 1551 CD PRO A 48 -5.678 -5.918 35.712 1.00 0.00 C ATOM 0 HA PRO A 48 -2.886 -5.050 36.461 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.437 -6.990 34.142 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.642 -7.348 35.662 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.220 -8.005 35.280 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.657 -7.471 36.852 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.425 -6.030 34.926 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.218 -5.741 36.642 1.00 0.00 H new ATOM 1559 N LEU A 49 -1.495 -3.803 34.966 1.00 0.00 N ATOM 1560 CA LEU A 49 -0.520 -3.160 34.043 1.00 0.00 C ATOM 1561 C LEU A 49 0.303 -4.272 33.384 1.00 0.00 C ATOM 1562 O LEU A 49 1.024 -4.049 32.431 1.00 0.00 O ATOM 1563 CB LEU A 49 0.420 -2.228 34.815 1.00 0.00 C ATOM 1564 CG LEU A 49 -0.371 -1.120 35.521 1.00 0.00 C ATOM 1565 CD1 LEU A 49 0.608 -0.231 36.297 1.00 0.00 C ATOM 1566 CD2 LEU A 49 -1.136 -0.267 34.493 1.00 0.00 C ATOM 0 H LEU A 49 -1.399 -3.549 35.949 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.053 -2.570 33.297 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.986 -2.801 35.549 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.143 -1.785 34.130 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.092 -1.571 36.203 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.057 0.561 36.804 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.139 -0.832 37.035 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.325 0.211 35.605 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.692 0.515 35.011 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.429 0.189 33.800 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.830 -0.900 33.939 1.00 0.00 H new ATOM 1578 N SER A 50 0.203 -5.473 33.899 1.00 0.00 N ATOM 1579 CA SER A 50 0.978 -6.610 33.323 1.00 0.00 C ATOM 1580 C SER A 50 0.658 -6.737 31.835 1.00 0.00 C ATOM 1581 O SER A 50 1.272 -7.506 31.122 1.00 0.00 O ATOM 1582 CB SER A 50 0.603 -7.915 34.029 1.00 0.00 C ATOM 1583 OG SER A 50 1.295 -8.995 33.416 1.00 0.00 O ATOM 0 H SER A 50 -0.385 -5.713 34.697 1.00 0.00 H new ATOM 0 HA SER A 50 2.042 -6.420 33.462 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.860 -7.857 35.087 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.473 -8.077 33.971 1.00 0.00 H new ATOM 0 HG SER A 50 1.484 -8.773 32.480 1.00 0.00 H new ATOM 1589 N LEU A 51 -0.297 -5.989 31.360 1.00 0.00 N ATOM 1590 CA LEU A 51 -0.644 -6.074 29.917 1.00 0.00 C ATOM 1591 C LEU A 51 0.508 -5.463 29.118 1.00 0.00 C ATOM 1592 O LEU A 51 0.753 -5.826 27.985 1.00 0.00 O ATOM 1593 CB LEU A 51 -1.929 -5.284 29.646 1.00 0.00 C ATOM 1594 CG LEU A 51 -3.140 -5.987 30.276 1.00 0.00 C ATOM 1595 CD1 LEU A 51 -4.380 -5.102 30.096 1.00 0.00 C ATOM 1596 CD2 LEU A 51 -3.380 -7.353 29.609 1.00 0.00 C ATOM 0 H LEU A 51 -0.849 -5.327 31.905 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.802 -7.113 29.627 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.835 -4.277 30.052 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.080 -5.182 28.571 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.946 -6.149 31.336 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.245 -5.593 30.541 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.216 -4.142 30.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.561 -4.941 29.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.242 -7.836 30.069 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.569 -7.210 28.545 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.499 -7.982 29.740 1.00 0.00 H new ATOM 1608 N LYS A 52 1.228 -4.547 29.710 1.00 0.00 N ATOM 1609 CA LYS A 52 2.378 -3.924 28.994 1.00 0.00 C ATOM 1610 C LYS A 52 3.334 -5.015 28.509 1.00 0.00 C ATOM 1611 O LYS A 52 3.366 -6.116 29.024 1.00 0.00 O ATOM 1612 CB LYS A 52 3.140 -2.973 29.929 1.00 0.00 C ATOM 1613 CG LYS A 52 4.445 -2.526 29.250 1.00 0.00 C ATOM 1614 CD LYS A 52 5.091 -1.388 30.042 1.00 0.00 C ATOM 1615 CE LYS A 52 6.584 -1.283 29.698 1.00 0.00 C ATOM 1616 NZ LYS A 52 7.251 -0.357 30.655 1.00 0.00 N ATOM 0 H LYS A 52 1.069 -4.204 30.657 1.00 0.00 H new ATOM 0 HA LYS A 52 1.993 -3.360 28.144 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.524 -2.105 30.164 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.361 -3.472 30.872 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.134 -3.368 29.181 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.239 -2.198 28.231 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.591 -0.447 29.814 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.968 -1.563 31.111 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.049 -2.268 29.745 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.708 -0.920 28.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.268 -0.312 30.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.837 0.593 30.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.115 -0.704 31.626 1.00 0.00 H new ATOM 1630 N THR A 53 4.134 -4.687 27.531 1.00 0.00 N ATOM 1631 CA THR A 53 5.132 -5.662 27.001 1.00 0.00 C ATOM 1632 C THR A 53 6.354 -4.910 26.484 1.00 0.00 C ATOM 1633 O THR A 53 6.276 -3.755 26.111 1.00 0.00 O ATOM 1634 CB THR A 53 4.536 -6.459 25.843 1.00 0.00 C ATOM 1635 OG1 THR A 53 5.590 -7.028 25.077 1.00 0.00 O ATOM 1636 CG2 THR A 53 3.703 -5.531 24.956 1.00 0.00 C ATOM 0 H THR A 53 4.139 -3.776 27.072 1.00 0.00 H new ATOM 0 HA THR A 53 5.412 -6.340 27.807 1.00 0.00 H new ATOM 0 HB THR A 53 3.897 -7.251 26.234 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.213 -7.542 24.333 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.278 -6.102 24.130 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.898 -5.091 25.545 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.338 -4.739 24.561 1.00 0.00 H new ATOM 1644 N ASP A 54 7.482 -5.559 26.443 1.00 0.00 N ATOM 1645 CA ASP A 54 8.709 -4.888 25.929 1.00 0.00 C ATOM 1646 C ASP A 54 8.746 -5.033 24.407 1.00 0.00 C ATOM 1647 O ASP A 54 9.572 -4.441 23.742 1.00 0.00 O ATOM 1648 CB ASP A 54 9.952 -5.546 26.536 1.00 0.00 C ATOM 1649 CG ASP A 54 10.060 -5.176 28.016 1.00 0.00 C ATOM 1650 OD1 ASP A 54 9.449 -4.196 28.407 1.00 0.00 O ATOM 1651 OD2 ASP A 54 10.755 -5.878 28.732 1.00 0.00 O ATOM 0 H ASP A 54 7.609 -6.526 26.743 1.00 0.00 H new ATOM 0 HA ASP A 54 8.696 -3.833 26.204 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.893 -6.629 26.425 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.845 -5.219 26.003 1.00 0.00 H new ATOM 1656 N VAL A 55 7.851 -5.815 23.852 1.00 0.00 N ATOM 1657 CA VAL A 55 7.811 -6.009 22.369 1.00 0.00 C ATOM 1658 C VAL A 55 6.571 -5.307 21.808 1.00 0.00 C ATOM 1659 O VAL A 55 5.456 -5.573 22.212 1.00 0.00 O ATOM 1660 CB VAL A 55 7.729 -7.507 22.055 1.00 0.00 C ATOM 1661 CG1 VAL A 55 7.686 -7.715 20.538 1.00 0.00 C ATOM 1662 CG2 VAL A 55 8.958 -8.217 22.631 1.00 0.00 C ATOM 0 H VAL A 55 7.140 -6.332 24.369 1.00 0.00 H new ATOM 0 HA VAL A 55 8.710 -5.590 21.917 1.00 0.00 H new ATOM 0 HB VAL A 55 6.825 -7.920 22.502 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.628 -8.781 20.318 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.811 -7.211 20.126 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.588 -7.301 20.088 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.900 -9.282 22.408 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.861 -7.801 22.184 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.988 -8.073 23.711 1.00 0.00 H new ATOM 1672 N ILE A 56 6.769 -4.401 20.885 1.00 0.00 N ATOM 1673 CA ILE A 56 5.631 -3.643 20.275 1.00 0.00 C ATOM 1674 C ILE A 56 5.554 -3.953 18.777 1.00 0.00 C ATOM 1675 O ILE A 56 6.547 -3.919 18.076 1.00 0.00 O ATOM 1676 CB ILE A 56 5.871 -2.147 20.488 1.00 0.00 C ATOM 1677 CG1 ILE A 56 5.948 -1.871 21.991 1.00 0.00 C ATOM 1678 CG2 ILE A 56 4.722 -1.343 19.875 1.00 0.00 C ATOM 1679 CD1 ILE A 56 6.431 -0.442 22.237 1.00 0.00 C ATOM 0 H ILE A 56 7.688 -4.149 20.521 1.00 0.00 H new ATOM 0 HA ILE A 56 4.691 -3.935 20.743 1.00 0.00 H new ATOM 0 HB ILE A 56 6.803 -1.851 20.007 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.968 -2.016 22.446 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.627 -2.580 22.465 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.899 -0.279 20.030 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.663 -1.549 18.806 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.784 -1.628 20.351 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.483 -0.255 23.310 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.420 -0.312 21.798 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.735 0.261 21.779 1.00 0.00 H new ATOM 1691 N LYS A 57 4.387 -4.262 18.280 1.00 0.00 N ATOM 1692 CA LYS A 57 4.264 -4.580 16.828 1.00 0.00 C ATOM 1693 C LYS A 57 4.526 -3.313 16.012 1.00 0.00 C ATOM 1694 O LYS A 57 3.828 -2.325 16.132 1.00 0.00 O ATOM 1695 CB LYS A 57 2.854 -5.100 16.533 1.00 0.00 C ATOM 1696 CG LYS A 57 2.739 -5.451 15.046 1.00 0.00 C ATOM 1697 CD LYS A 57 1.486 -6.301 14.809 1.00 0.00 C ATOM 1698 CE LYS A 57 0.226 -5.490 15.123 1.00 0.00 C ATOM 1699 NZ LYS A 57 -0.026 -5.508 16.593 1.00 0.00 N ATOM 0 H LYS A 57 3.518 -4.308 18.812 1.00 0.00 H new ATOM 0 HA LYS A 57 4.991 -5.346 16.558 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.644 -5.979 17.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.114 -4.345 16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.689 -4.539 14.450 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.626 -5.996 14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.459 -6.641 13.774 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.519 -7.192 15.436 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.346 -4.463 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.629 -5.907 14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.000 -5.823 16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.640 -6.162 17.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.106 -4.552 16.980 1.00 0.00 H new ATOM 1713 N LYS A 58 5.534 -3.335 15.184 1.00 0.00 N ATOM 1714 CA LYS A 58 5.852 -2.137 14.359 1.00 0.00 C ATOM 1715 C LYS A 58 4.920 -2.107 13.150 1.00 0.00 C ATOM 1716 O LYS A 58 4.777 -3.086 12.443 1.00 0.00 O ATOM 1717 CB LYS A 58 7.302 -2.229 13.881 1.00 0.00 C ATOM 1718 CG LYS A 58 8.249 -2.121 15.077 1.00 0.00 C ATOM 1719 CD LYS A 58 9.693 -2.216 14.579 1.00 0.00 C ATOM 1720 CE LYS A 58 10.658 -2.142 15.762 1.00 0.00 C ATOM 1721 NZ LYS A 58 12.057 -2.201 15.252 1.00 0.00 N ATOM 0 H LYS A 58 6.153 -4.134 15.043 1.00 0.00 H new ATOM 0 HA LYS A 58 5.719 -1.230 14.949 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.464 -3.173 13.361 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.511 -1.432 13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.092 -1.176 15.598 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.044 -2.917 15.793 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.839 -3.151 14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.899 -1.406 13.879 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.499 -1.219 16.320 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.473 -2.967 16.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.720 -2.151 16.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.202 -3.093 14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.227 -1.400 14.611 1.00 0.00 H new ATOM 1735 N ARG A 59 4.281 -0.996 12.905 1.00 0.00 N ATOM 1736 CA ARG A 59 3.347 -0.901 11.745 1.00 0.00 C ATOM 1737 C ARG A 59 4.040 -0.177 10.595 1.00 0.00 C ATOM 1738 O ARG A 59 5.080 0.427 10.756 1.00 0.00 O ATOM 1739 CB ARG A 59 2.111 -0.110 12.157 1.00 0.00 C ATOM 1740 CG ARG A 59 1.339 -0.885 13.221 1.00 0.00 C ATOM 1741 CD ARG A 59 0.104 -0.081 13.624 1.00 0.00 C ATOM 1742 NE ARG A 59 -0.730 0.170 12.417 1.00 0.00 N ATOM 1743 CZ ARG A 59 -1.959 0.584 12.547 1.00 0.00 C ATOM 1744 NH1 ARG A 59 -2.452 0.802 13.735 1.00 0.00 N ATOM 1745 NH2 ARG A 59 -2.693 0.786 11.488 1.00 0.00 N ATOM 0 H ARG A 59 4.366 -0.145 13.461 1.00 0.00 H new ATOM 0 HA ARG A 59 3.057 -1.903 11.429 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.404 0.866 12.544 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.475 0.069 11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.044 -1.861 12.836 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.972 -1.064 14.090 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.472 -0.626 14.372 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.402 0.864 14.078 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.339 0.018 11.487 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.876 0.648 14.562 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.414 1.126 13.836 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.305 0.620 10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.655 1.110 11.588 1.00 0.00 H new ATOM 1759 N ASN A 60 3.475 -0.265 9.428 1.00 0.00 N ATOM 1760 CA ASN A 60 4.096 0.377 8.239 1.00 0.00 C ATOM 1761 C ASN A 60 3.944 1.898 8.313 1.00 0.00 C ATOM 1762 O ASN A 60 3.537 2.450 9.315 1.00 0.00 O ATOM 1763 CB ASN A 60 3.419 -0.158 6.976 1.00 0.00 C ATOM 1764 CG ASN A 60 3.460 -1.687 7.005 1.00 0.00 C ATOM 1765 OD1 ASN A 60 2.484 -2.340 6.694 1.00 0.00 O ATOM 1766 ND2 ASN A 60 4.555 -2.288 7.382 1.00 0.00 N ATOM 0 H ASN A 60 2.602 -0.758 9.244 1.00 0.00 H new ATOM 0 HA ASN A 60 5.160 0.141 8.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.388 0.191 6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.928 0.216 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.592 -3.307 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.374 -1.739 7.643 1.00 0.00 H new