USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 530 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 36 HIS : no HE2:sc= -2.02! C(o=-4.6!,f=-12!) USER MOD Set 1.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 60 TYR OH : rot 157:sc= -2.59! USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= -0.25 (180deg=-1.43!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.222 USER MOD Single : A 18 SER OG : rot 180:sc= -0.302 USER MOD Single : A 20 GLN : amide:sc= -0.0232 K(o=-0.023,f=-1.7!) USER MOD Single : A 23 MET CE :methyl -151:sc= -0.197 (180deg=-1.04) USER MOD Single : A 28 MET CE :methyl 168:sc= -1.83 (180deg=-2.36) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 42 GLN : amide:sc= 0.159 K(o=0.16,f=-6.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.0513 (180deg=-0.565) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -148:sc= -0.296 (180deg=-1.24!) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.16 (180deg=-0.944) USER MOD Single : A 63 MET CE :methyl -117:sc= -0.0167 (180deg=-0.337) USER MOD Single : A 64 SER OG : rot -150:sc= -0.369 USER MOD Single : A 65 MET CE :methyl -139:sc= 0 (180deg=-1.72) USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.00965 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.172 F(o=-0.86,f=-0.17) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.264 F(o=-1.1,f=-0.26) USER MOD Single : A 80 SER OG : rot -43:sc= 0.0095 USER MOD Single : A 81 THR OG1 : rot -110:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 13 8.456 3.030 -7.928 1.00 0.00 N ATOM 2 CA LYS A 13 8.039 2.008 -8.928 1.00 0.00 C ATOM 3 C LYS A 13 6.786 1.286 -8.426 1.00 0.00 C ATOM 4 O LYS A 13 5.722 1.864 -8.334 1.00 0.00 O ATOM 5 CB LYS A 13 9.177 1.002 -9.129 1.00 0.00 C ATOM 6 CG LYS A 13 9.814 0.670 -7.773 1.00 0.00 C ATOM 7 CD LYS A 13 10.842 -0.462 -7.933 1.00 0.00 C ATOM 8 CE LYS A 13 12.164 0.093 -8.475 1.00 0.00 C ATOM 9 NZ LYS A 13 12.664 1.169 -7.574 1.00 0.00 N ATOM 0 HA LYS A 13 7.815 2.492 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.795 0.094 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.927 1.415 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.299 1.556 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.042 0.373 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.010 -0.948 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.454 -1.222 -8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.902 -0.706 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.019 0.486 -9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.703 1.193 -7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.286 2.086 -7.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.352 0.979 -6.600 1.00 0.00 H new ATOM 23 N SER A 14 6.901 0.026 -8.105 1.00 0.00 N ATOM 24 CA SER A 14 5.715 -0.726 -7.613 1.00 0.00 C ATOM 25 C SER A 14 5.481 -0.406 -6.139 1.00 0.00 C ATOM 26 O SER A 14 6.369 0.043 -5.441 1.00 0.00 O ATOM 27 CB SER A 14 5.957 -2.227 -7.762 1.00 0.00 C ATOM 28 OG SER A 14 6.454 -2.500 -9.065 1.00 0.00 O ATOM 0 H SER A 14 7.765 -0.513 -8.163 1.00 0.00 H new ATOM 0 HA SER A 14 4.842 -0.435 -8.198 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.670 -2.568 -7.011 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.030 -2.774 -7.593 1.00 0.00 H new ATOM 0 HG SER A 14 6.611 -3.463 -9.160 1.00 0.00 H new ATOM 34 N ILE A 15 4.288 -0.646 -5.661 1.00 0.00 N ATOM 35 CA ILE A 15 3.964 -0.375 -4.228 1.00 0.00 C ATOM 36 C ILE A 15 3.299 -1.613 -3.624 1.00 0.00 C ATOM 37 O ILE A 15 2.368 -2.161 -4.180 1.00 0.00 O ATOM 38 CB ILE A 15 3.010 0.821 -4.140 1.00 0.00 C ATOM 39 CG1 ILE A 15 3.696 2.058 -4.727 1.00 0.00 C ATOM 40 CG2 ILE A 15 2.644 1.092 -2.680 1.00 0.00 C ATOM 41 CD1 ILE A 15 2.677 3.190 -4.872 1.00 0.00 C ATOM 0 H ILE A 15 3.515 -1.023 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 15 4.877 -0.147 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 15 2.103 0.598 -4.701 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.515 2.373 -4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.130 1.819 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.966 1.944 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.157 0.213 -2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.548 1.313 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.167 4.069 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.873 2.873 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.264 3.435 -3.894 1.00 0.00 H new ATOM 53 N TRP A 16 3.773 -2.059 -2.490 1.00 0.00 N ATOM 54 CA TRP A 16 3.177 -3.266 -1.839 1.00 0.00 C ATOM 55 C TRP A 16 3.118 -3.035 -0.328 1.00 0.00 C ATOM 56 O TRP A 16 4.050 -2.529 0.266 1.00 0.00 O ATOM 57 CB TRP A 16 4.059 -4.485 -2.118 1.00 0.00 C ATOM 58 CG TRP A 16 4.130 -4.744 -3.589 1.00 0.00 C ATOM 59 CD1 TRP A 16 4.897 -4.053 -4.464 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.440 -5.766 -4.370 1.00 0.00 C ATOM 61 NE1 TRP A 16 4.719 -4.579 -5.729 1.00 0.00 N ATOM 62 CE2 TRP A 16 3.832 -5.638 -5.724 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.522 -6.780 -4.041 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.333 -6.485 -6.714 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.017 -7.634 -5.034 1.00 0.00 C ATOM 66 CH2 TRP A 16 2.423 -7.487 -6.367 1.00 0.00 C ATOM 0 H TRP A 16 4.551 -1.638 -1.983 1.00 0.00 H new ATOM 0 HA TRP A 16 2.176 -3.439 -2.235 1.00 0.00 H new ATOM 0 HB2 TRP A 16 5.061 -4.317 -1.722 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.657 -5.359 -1.606 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.543 -3.225 -4.214 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.186 -4.228 -6.565 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.203 -6.902 -3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 3.648 -6.367 -7.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.312 -8.408 -4.769 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.033 -8.148 -7.126 1.00 0.00 H new ATOM 77 N CYS A 17 2.027 -3.399 0.302 1.00 0.00 N ATOM 78 CA CYS A 17 1.901 -3.200 1.781 1.00 0.00 C ATOM 79 C CYS A 17 1.296 -4.449 2.425 1.00 0.00 C ATOM 80 O CYS A 17 0.496 -5.144 1.829 1.00 0.00 O ATOM 81 CB CYS A 17 0.987 -2.005 2.053 1.00 0.00 C ATOM 82 SG CYS A 17 1.694 -0.515 1.306 1.00 0.00 S ATOM 0 H CYS A 17 1.216 -3.826 -0.145 1.00 0.00 H new ATOM 0 HA CYS A 17 2.889 -3.018 2.203 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.005 -2.193 1.644 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.867 -1.863 3.127 1.00 0.00 H new ATOM 0 HG CYS A 17 0.913 0.499 1.537 1.00 0.00 H new ATOM 88 N SER A 18 1.661 -4.731 3.645 1.00 0.00 N ATOM 89 CA SER A 18 1.100 -5.922 4.343 1.00 0.00 C ATOM 90 C SER A 18 -0.356 -5.630 4.722 1.00 0.00 C ATOM 91 O SER A 18 -0.787 -4.494 4.710 1.00 0.00 O ATOM 92 CB SER A 18 1.934 -6.204 5.603 1.00 0.00 C ATOM 93 OG SER A 18 1.085 -6.272 6.743 1.00 0.00 O ATOM 0 H SER A 18 2.327 -4.185 4.191 1.00 0.00 H new ATOM 0 HA SER A 18 1.134 -6.797 3.694 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.477 -7.142 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.678 -5.419 5.740 1.00 0.00 H new ATOM 0 HG SER A 18 1.623 -6.453 7.541 1.00 0.00 H new ATOM 99 N PRO A 19 -1.111 -6.647 5.049 1.00 0.00 N ATOM 100 CA PRO A 19 -2.545 -6.486 5.427 1.00 0.00 C ATOM 101 C PRO A 19 -2.727 -5.604 6.669 1.00 0.00 C ATOM 102 O PRO A 19 -3.684 -4.865 6.774 1.00 0.00 O ATOM 103 CB PRO A 19 -3.028 -7.926 5.701 1.00 0.00 C ATOM 104 CG PRO A 19 -1.783 -8.726 5.931 1.00 0.00 C ATOM 105 CD PRO A 19 -0.688 -8.057 5.099 1.00 0.00 C ATOM 0 HA PRO A 19 -3.112 -5.987 4.641 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.684 -7.962 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.596 -8.317 4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.517 -8.737 6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.925 -9.763 5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.292 -8.166 5.563 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.619 -8.491 4.102 1.00 0.00 H new ATOM 113 N GLN A 20 -1.824 -5.670 7.606 1.00 0.00 N ATOM 114 CA GLN A 20 -1.975 -4.831 8.827 1.00 0.00 C ATOM 115 C GLN A 20 -2.000 -3.359 8.415 1.00 0.00 C ATOM 116 O GLN A 20 -2.820 -2.589 8.878 1.00 0.00 O ATOM 117 CB GLN A 20 -0.798 -5.083 9.773 1.00 0.00 C ATOM 118 CG GLN A 20 -1.048 -4.366 11.101 1.00 0.00 C ATOM 119 CD GLN A 20 -0.003 -4.815 12.126 1.00 0.00 C ATOM 120 OE1 GLN A 20 0.768 -5.717 11.868 1.00 0.00 O ATOM 121 NE2 GLN A 20 0.049 -4.225 13.289 1.00 0.00 N ATOM 0 H GLN A 20 -0.995 -6.263 7.581 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.903 -5.086 9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.677 -6.153 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.128 -4.724 9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.995 -3.287 10.960 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.051 -4.591 11.465 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.599 -3.467 13.506 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.737 -4.522 13.981 1.00 0.00 H new ATOM 130 N GLU A 21 -1.123 -2.962 7.534 1.00 0.00 N ATOM 131 CA GLU A 21 -1.121 -1.542 7.087 1.00 0.00 C ATOM 132 C GLU A 21 -2.442 -1.235 6.381 1.00 0.00 C ATOM 133 O GLU A 21 -3.037 -0.195 6.582 1.00 0.00 O ATOM 134 CB GLU A 21 0.046 -1.310 6.124 1.00 0.00 C ATOM 135 CG GLU A 21 1.363 -1.350 6.900 1.00 0.00 C ATOM 136 CD GLU A 21 2.536 -1.167 5.934 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.928 -2.145 5.319 1.00 0.00 O ATOM 138 OE2 GLU A 21 3.024 -0.054 5.830 1.00 0.00 O ATOM 0 H GLU A 21 -0.412 -3.556 7.107 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.009 -0.886 7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.047 -2.073 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.066 -0.347 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.375 -0.564 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.458 -2.300 7.426 1.00 0.00 H new ATOM 145 N ILE A 22 -2.911 -2.136 5.559 1.00 0.00 N ATOM 146 CA ILE A 22 -4.199 -1.896 4.850 1.00 0.00 C ATOM 147 C ILE A 22 -5.359 -1.972 5.848 1.00 0.00 C ATOM 148 O ILE A 22 -6.196 -1.093 5.906 1.00 0.00 O ATOM 149 CB ILE A 22 -4.394 -2.957 3.763 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.335 -2.776 2.671 1.00 0.00 C ATOM 151 CG2 ILE A 22 -5.785 -2.800 3.144 1.00 0.00 C ATOM 152 CD1 ILE A 22 -3.353 -3.993 1.744 1.00 0.00 C ATOM 0 H ILE A 22 -2.458 -3.025 5.349 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.177 -0.907 4.393 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.296 -3.948 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.534 -1.868 2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.349 -2.661 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.926 -3.554 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.543 -2.927 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.878 -1.807 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.601 -3.868 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.134 -4.892 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.338 -4.087 1.286 1.00 0.00 H new ATOM 164 N MET A 23 -5.428 -3.025 6.625 1.00 0.00 N ATOM 165 CA MET A 23 -6.541 -3.173 7.606 1.00 0.00 C ATOM 166 C MET A 23 -6.692 -1.895 8.440 1.00 0.00 C ATOM 167 O MET A 23 -7.732 -1.643 9.015 1.00 0.00 O ATOM 168 CB MET A 23 -6.224 -4.379 8.518 1.00 0.00 C ATOM 169 CG MET A 23 -7.507 -5.043 9.031 1.00 0.00 C ATOM 170 SD MET A 23 -8.302 -3.970 10.260 1.00 0.00 S ATOM 171 CE MET A 23 -7.093 -4.165 11.601 1.00 0.00 C ATOM 0 H MET A 23 -4.755 -3.792 6.620 1.00 0.00 H new ATOM 0 HA MET A 23 -7.481 -3.341 7.081 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.630 -5.108 7.967 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.620 -4.049 9.363 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.189 -5.229 8.201 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.274 -6.011 9.475 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.593 -4.043 12.562 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.647 -5.158 11.547 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.312 -3.411 11.500 1.00 0.00 H new ATOM 181 N ALA A 24 -5.677 -1.076 8.502 1.00 0.00 N ATOM 182 CA ALA A 24 -5.796 0.184 9.293 1.00 0.00 C ATOM 183 C ALA A 24 -6.548 1.217 8.452 1.00 0.00 C ATOM 184 O ALA A 24 -6.869 2.296 8.909 1.00 0.00 O ATOM 185 CB ALA A 24 -4.403 0.714 9.636 1.00 0.00 C ATOM 0 H ALA A 24 -4.778 -1.222 8.044 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.337 -0.008 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.496 1.634 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.865 -0.030 10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.854 0.917 8.716 1.00 0.00 H new ATOM 191 N ALA A 25 -6.836 0.883 7.223 1.00 0.00 N ATOM 192 CA ALA A 25 -7.574 1.830 6.339 1.00 0.00 C ATOM 193 C ALA A 25 -9.077 1.717 6.621 1.00 0.00 C ATOM 194 O ALA A 25 -9.642 0.642 6.611 1.00 0.00 O ATOM 195 CB ALA A 25 -7.294 1.483 4.876 1.00 0.00 C ATOM 0 H ALA A 25 -6.591 -0.008 6.792 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.245 2.850 6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.833 2.175 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.224 1.562 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.625 0.464 4.674 1.00 0.00 H new ATOM 201 N ASP A 26 -9.724 2.821 6.875 1.00 0.00 N ATOM 202 CA ASP A 26 -11.189 2.789 7.164 1.00 0.00 C ATOM 203 C ASP A 26 -11.952 2.202 5.968 1.00 0.00 C ATOM 204 O ASP A 26 -12.906 1.468 6.131 1.00 0.00 O ATOM 205 CB ASP A 26 -11.680 4.211 7.449 1.00 0.00 C ATOM 206 CG ASP A 26 -11.421 5.098 6.231 1.00 0.00 C ATOM 207 OD1 ASP A 26 -10.628 4.703 5.393 1.00 0.00 O ATOM 208 OD2 ASP A 26 -12.019 6.159 6.158 1.00 0.00 O ATOM 0 H ASP A 26 -9.301 3.749 6.895 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.370 2.160 8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.745 4.199 7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.167 4.615 8.321 1.00 0.00 H new ATOM 213 N GLY A 27 -11.548 2.530 4.771 1.00 0.00 N ATOM 214 CA GLY A 27 -12.255 2.004 3.565 1.00 0.00 C ATOM 215 C GLY A 27 -12.263 0.472 3.579 1.00 0.00 C ATOM 216 O GLY A 27 -12.996 -0.157 2.840 1.00 0.00 O ATOM 0 H GLY A 27 -10.756 3.142 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.278 2.380 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.763 2.364 2.661 1.00 0.00 H new ATOM 220 N MET A 28 -11.446 -0.132 4.404 1.00 0.00 N ATOM 221 CA MET A 28 -11.383 -1.628 4.470 1.00 0.00 C ATOM 222 C MET A 28 -11.515 -2.067 5.935 1.00 0.00 C ATOM 223 O MET A 28 -10.530 -2.306 6.604 1.00 0.00 O ATOM 224 CB MET A 28 -10.036 -2.088 3.914 1.00 0.00 C ATOM 225 CG MET A 28 -9.718 -1.293 2.650 1.00 0.00 C ATOM 226 SD MET A 28 -8.353 -2.080 1.770 1.00 0.00 S ATOM 227 CE MET A 28 -8.348 -0.960 0.354 1.00 0.00 C ATOM 0 H MET A 28 -10.813 0.350 5.042 1.00 0.00 H new ATOM 0 HA MET A 28 -12.190 -2.068 3.885 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.253 -1.941 4.657 1.00 0.00 H new ATOM 0 HB3 MET A 28 -10.066 -3.154 3.690 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.598 -1.243 2.008 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.454 -0.268 2.909 1.00 0.00 H new ATOM 0 HE1 MET A 28 -7.444 -1.120 -0.233 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.223 -1.154 -0.267 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.375 0.071 0.706 1.00 0.00 H new ATOM 237 N PRO A 29 -12.723 -2.140 6.438 1.00 0.00 N ATOM 238 CA PRO A 29 -12.988 -2.518 7.858 1.00 0.00 C ATOM 239 C PRO A 29 -13.004 -4.030 8.085 1.00 0.00 C ATOM 240 O PRO A 29 -13.045 -4.811 7.155 1.00 0.00 O ATOM 241 CB PRO A 29 -14.374 -1.935 8.109 1.00 0.00 C ATOM 242 CG PRO A 29 -15.066 -2.059 6.788 1.00 0.00 C ATOM 243 CD PRO A 29 -13.982 -1.879 5.714 1.00 0.00 C ATOM 0 HA PRO A 29 -12.210 -2.148 8.526 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.902 -2.484 8.889 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.317 -0.896 8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.550 -3.031 6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.845 -1.303 6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.119 -2.575 4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.000 -0.874 5.292 1.00 0.00 H new ATOM 251 N GLY A 30 -12.950 -4.444 9.325 1.00 0.00 N ATOM 252 CA GLY A 30 -12.938 -5.899 9.643 1.00 0.00 C ATOM 253 C GLY A 30 -11.501 -6.289 9.953 1.00 0.00 C ATOM 254 O GLY A 30 -10.577 -5.571 9.627 1.00 0.00 O ATOM 0 H GLY A 30 -12.913 -3.828 10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.585 -6.110 10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.319 -6.478 8.802 1.00 0.00 H new ATOM 258 N SER A 31 -11.286 -7.406 10.578 1.00 0.00 N ATOM 259 CA SER A 31 -9.888 -7.801 10.894 1.00 0.00 C ATOM 260 C SER A 31 -9.186 -8.155 9.590 1.00 0.00 C ATOM 261 O SER A 31 -9.683 -7.876 8.517 1.00 0.00 O ATOM 262 CB SER A 31 -9.892 -9.017 11.821 1.00 0.00 C ATOM 263 OG SER A 31 -10.398 -10.144 11.116 1.00 0.00 O ATOM 0 H SER A 31 -12.008 -8.059 10.882 1.00 0.00 H new ATOM 0 HA SER A 31 -9.370 -6.981 11.392 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.882 -9.220 12.178 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.506 -8.817 12.699 1.00 0.00 H new ATOM 0 HG SER A 31 -10.400 -10.926 11.707 1.00 0.00 H new ATOM 269 N VAL A 32 -8.030 -8.743 9.657 1.00 0.00 N ATOM 270 CA VAL A 32 -7.322 -9.071 8.396 1.00 0.00 C ATOM 271 C VAL A 32 -8.228 -9.942 7.526 1.00 0.00 C ATOM 272 O VAL A 32 -8.348 -9.729 6.337 1.00 0.00 O ATOM 273 CB VAL A 32 -6.032 -9.829 8.704 1.00 0.00 C ATOM 274 CG1 VAL A 32 -5.368 -10.228 7.389 1.00 0.00 C ATOM 275 CG2 VAL A 32 -5.086 -8.930 9.507 1.00 0.00 C ATOM 0 H VAL A 32 -7.550 -9.008 10.517 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.076 -8.149 7.869 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.258 -10.720 9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.446 -10.770 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.043 -10.866 6.819 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.140 -9.333 6.810 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.166 -9.473 9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.851 -8.038 8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.566 -8.639 10.441 1.00 0.00 H new ATOM 285 N ALA A 33 -8.869 -10.920 8.100 1.00 0.00 N ATOM 286 CA ALA A 33 -9.766 -11.792 7.296 1.00 0.00 C ATOM 287 C ALA A 33 -10.873 -10.943 6.661 1.00 0.00 C ATOM 288 O ALA A 33 -11.258 -11.156 5.530 1.00 0.00 O ATOM 289 CB ALA A 33 -10.388 -12.850 8.209 1.00 0.00 C ATOM 0 H ALA A 33 -8.810 -11.153 9.091 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.193 -12.281 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.047 -13.493 7.625 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.599 -13.452 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.962 -12.360 8.995 1.00 0.00 H new ATOM 295 N GLY A 34 -11.398 -9.986 7.378 1.00 0.00 N ATOM 296 CA GLY A 34 -12.482 -9.141 6.797 1.00 0.00 C ATOM 297 C GLY A 34 -11.975 -8.485 5.513 1.00 0.00 C ATOM 298 O GLY A 34 -12.684 -8.396 4.529 1.00 0.00 O ATOM 0 H GLY A 34 -11.126 -9.754 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.361 -9.750 6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.788 -8.378 7.513 1.00 0.00 H new ATOM 302 N VAL A 35 -10.747 -8.044 5.503 1.00 0.00 N ATOM 303 CA VAL A 35 -10.186 -7.420 4.274 1.00 0.00 C ATOM 304 C VAL A 35 -10.184 -8.474 3.161 1.00 0.00 C ATOM 305 O VAL A 35 -10.509 -8.200 2.022 1.00 0.00 O ATOM 306 CB VAL A 35 -8.744 -6.963 4.558 1.00 0.00 C ATOM 307 CG1 VAL A 35 -8.015 -6.643 3.246 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.769 -5.711 5.441 1.00 0.00 C ATOM 0 H VAL A 35 -10.107 -8.090 6.296 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.782 -6.559 3.972 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.216 -7.768 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.997 -6.321 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.987 -7.534 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.542 -5.846 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.748 -5.387 5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.308 -4.914 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.269 -5.939 6.382 1.00 0.00 H new ATOM 318 N HIS A 36 -9.820 -9.679 3.500 1.00 0.00 N ATOM 319 CA HIS A 36 -9.784 -10.782 2.498 1.00 0.00 C ATOM 320 C HIS A 36 -11.189 -11.044 1.948 1.00 0.00 C ATOM 321 O HIS A 36 -11.365 -11.300 0.771 1.00 0.00 O ATOM 322 CB HIS A 36 -9.244 -12.051 3.160 1.00 0.00 C ATOM 323 CG HIS A 36 -7.761 -11.916 3.366 1.00 0.00 C ATOM 324 ND1 HIS A 36 -7.207 -10.932 4.170 1.00 0.00 N ATOM 325 CD2 HIS A 36 -6.702 -12.630 2.868 1.00 0.00 C ATOM 326 CE1 HIS A 36 -5.869 -11.081 4.128 1.00 0.00 C ATOM 327 NE2 HIS A 36 -5.510 -12.103 3.350 1.00 0.00 N ATOM 0 H HIS A 36 -9.542 -9.951 4.443 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.133 -10.494 1.673 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.741 -12.215 4.116 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.458 -12.919 2.536 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -7.719 -10.225 4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.782 -13.476 2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.172 -10.450 4.659 1.00 0.00 H new ATOM 335 N TYR A 37 -12.195 -10.996 2.781 1.00 0.00 N ATOM 336 CA TYR A 37 -13.568 -11.262 2.275 1.00 0.00 C ATOM 337 C TYR A 37 -13.850 -10.302 1.125 1.00 0.00 C ATOM 338 O TYR A 37 -14.333 -10.690 0.080 1.00 0.00 O ATOM 339 CB TYR A 37 -14.589 -11.026 3.393 1.00 0.00 C ATOM 340 CG TYR A 37 -15.983 -11.300 2.872 1.00 0.00 C ATOM 341 CD1 TYR A 37 -16.727 -10.269 2.286 1.00 0.00 C ATOM 342 CD2 TYR A 37 -16.530 -12.585 2.973 1.00 0.00 C ATOM 343 CE1 TYR A 37 -18.017 -10.523 1.803 1.00 0.00 C ATOM 344 CE2 TYR A 37 -17.820 -12.839 2.490 1.00 0.00 C ATOM 345 CZ TYR A 37 -18.564 -11.807 1.905 1.00 0.00 C ATOM 346 OH TYR A 37 -19.835 -12.057 1.430 1.00 0.00 O ATOM 0 H TYR A 37 -12.125 -10.787 3.777 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.645 -12.295 1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.372 -11.676 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.519 -9.999 3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.306 -9.278 2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.956 -13.381 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.590 -9.727 1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.241 -13.831 2.569 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.060 -12.999 1.578 1.00 0.00 H new ATOM 356 N ARG A 38 -13.527 -9.053 1.299 1.00 0.00 N ATOM 357 CA ARG A 38 -13.751 -8.071 0.206 1.00 0.00 C ATOM 358 C ARG A 38 -12.909 -8.474 -1.007 1.00 0.00 C ATOM 359 O ARG A 38 -13.386 -8.517 -2.124 1.00 0.00 O ATOM 360 CB ARG A 38 -13.330 -6.681 0.688 1.00 0.00 C ATOM 361 CG ARG A 38 -13.644 -5.643 -0.387 1.00 0.00 C ATOM 362 CD ARG A 38 -13.215 -4.263 0.112 1.00 0.00 C ATOM 363 NE ARG A 38 -13.608 -3.215 -0.887 1.00 0.00 N ATOM 364 CZ ARG A 38 -13.184 -3.248 -2.123 1.00 0.00 C ATOM 365 NH1 ARG A 38 -12.248 -4.084 -2.484 1.00 0.00 N ATOM 366 NH2 ARG A 38 -13.665 -2.402 -2.992 1.00 0.00 N ATOM 0 H ARG A 38 -13.118 -8.670 2.151 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.805 -8.054 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.854 -6.432 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.264 -6.672 0.914 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.121 -5.888 -1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.710 -5.647 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.681 -4.053 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.137 -4.242 0.269 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.223 -2.456 -0.594 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.840 -4.720 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.925 -4.101 -3.451 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.367 -1.720 -2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.339 -2.422 -3.958 1.00 0.00 H new ATOM 380 N ALA A 39 -11.652 -8.760 -0.791 1.00 0.00 N ATOM 381 CA ALA A 39 -10.755 -9.151 -1.918 1.00 0.00 C ATOM 382 C ALA A 39 -11.181 -10.507 -2.487 1.00 0.00 C ATOM 383 O ALA A 39 -10.550 -11.041 -3.377 1.00 0.00 O ATOM 384 CB ALA A 39 -9.314 -9.244 -1.412 1.00 0.00 C ATOM 0 H ALA A 39 -11.205 -8.739 0.126 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.824 -8.398 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.657 -9.530 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.003 -8.276 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.253 -9.993 -0.622 1.00 0.00 H new ATOM 390 N ASN A 40 -12.253 -11.063 -1.997 1.00 0.00 N ATOM 391 CA ASN A 40 -12.713 -12.374 -2.535 1.00 0.00 C ATOM 392 C ASN A 40 -13.285 -12.169 -3.941 1.00 0.00 C ATOM 393 O ASN A 40 -12.967 -12.888 -4.867 1.00 0.00 O ATOM 394 CB ASN A 40 -13.798 -12.953 -1.624 1.00 0.00 C ATOM 395 CG ASN A 40 -14.203 -14.338 -2.132 1.00 0.00 C ATOM 396 OD1 ASN A 40 -15.359 -14.581 -2.415 1.00 0.00 O ATOM 397 ND2 ASN A 40 -13.291 -15.263 -2.261 1.00 0.00 N ATOM 0 H ASN A 40 -12.828 -10.670 -1.252 1.00 0.00 H new ATOM 0 HA ASN A 40 -11.871 -13.065 -2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.430 -13.022 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -14.665 -12.292 -1.607 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -13.549 -16.190 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.320 -15.059 -2.023 1.00 0.00 H new ATOM 404 N VAL A 41 -14.127 -11.187 -4.097 1.00 0.00 N ATOM 405 CA VAL A 41 -14.730 -10.920 -5.434 1.00 0.00 C ATOM 406 C VAL A 41 -13.659 -10.368 -6.381 1.00 0.00 C ATOM 407 O VAL A 41 -13.563 -10.762 -7.526 1.00 0.00 O ATOM 408 CB VAL A 41 -15.859 -9.902 -5.288 1.00 0.00 C ATOM 409 CG1 VAL A 41 -16.410 -9.549 -6.671 1.00 0.00 C ATOM 410 CG2 VAL A 41 -16.971 -10.503 -4.426 1.00 0.00 C ATOM 0 H VAL A 41 -14.425 -10.555 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.129 -11.848 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 41 -15.480 -8.998 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.216 -8.822 -6.567 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.614 -9.123 -7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.793 -10.450 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -17.779 -9.780 -4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.353 -11.406 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -16.574 -10.752 -3.442 1.00 0.00 H new ATOM 420 N GLN A 42 -12.855 -9.454 -5.908 1.00 0.00 N ATOM 421 CA GLN A 42 -11.787 -8.865 -6.770 1.00 0.00 C ATOM 422 C GLN A 42 -10.541 -9.755 -6.741 1.00 0.00 C ATOM 423 O GLN A 42 -10.286 -10.453 -5.780 1.00 0.00 O ATOM 424 CB GLN A 42 -11.437 -7.465 -6.260 1.00 0.00 C ATOM 425 CG GLN A 42 -12.603 -6.511 -6.541 1.00 0.00 C ATOM 426 CD GLN A 42 -12.276 -5.126 -5.974 1.00 0.00 C ATOM 427 OE1 GLN A 42 -11.822 -5.008 -4.854 1.00 0.00 O ATOM 428 NE2 GLN A 42 -12.489 -4.066 -6.707 1.00 0.00 N ATOM 0 H GLN A 42 -12.892 -9.088 -4.957 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.148 -8.798 -7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.230 -7.498 -5.190 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.532 -7.104 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.782 -6.444 -7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.518 -6.894 -6.089 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.870 -4.165 -7.648 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.274 -3.140 -6.339 1.00 0.00 H new ATOM 437 N GLY A 43 -9.765 -9.737 -7.798 1.00 0.00 N ATOM 438 CA GLY A 43 -8.532 -10.582 -7.859 1.00 0.00 C ATOM 439 C GLY A 43 -7.294 -9.717 -7.617 1.00 0.00 C ATOM 440 O GLY A 43 -6.462 -9.550 -8.488 1.00 0.00 O ATOM 0 H GLY A 43 -9.935 -9.168 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.585 -11.373 -7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.462 -11.068 -8.832 1.00 0.00 H new ATOM 444 N TRP A 44 -7.152 -9.176 -6.439 1.00 0.00 N ATOM 445 CA TRP A 44 -5.953 -8.337 -6.151 1.00 0.00 C ATOM 446 C TRP A 44 -4.699 -9.184 -6.365 1.00 0.00 C ATOM 447 O TRP A 44 -4.712 -10.381 -6.161 1.00 0.00 O ATOM 448 CB TRP A 44 -5.971 -7.884 -4.690 1.00 0.00 C ATOM 449 CG TRP A 44 -7.025 -6.852 -4.458 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.034 -6.537 -5.304 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.174 -5.988 -3.300 1.00 0.00 C ATOM 452 NE1 TRP A 44 -8.798 -5.533 -4.728 1.00 0.00 N ATOM 453 CE2 TRP A 44 -8.303 -5.162 -3.490 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.439 -5.851 -2.113 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -8.691 -4.226 -2.528 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -6.821 -4.915 -1.145 1.00 0.00 C ATOM 457 CH2 TRP A 44 -7.945 -4.102 -1.349 1.00 0.00 C ATOM 0 H TRP A 44 -7.810 -9.277 -5.666 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.958 -7.468 -6.809 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.150 -8.742 -4.042 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.996 -7.479 -4.420 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.214 -6.992 -6.267 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.623 -5.119 -5.163 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.572 -6.472 -1.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.558 -3.604 -2.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.247 -4.818 -0.236 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -8.235 -3.382 -0.599 1.00 0.00 H new ATOM 468 N THR A 45 -3.604 -8.581 -6.745 1.00 0.00 N ATOM 469 CA THR A 45 -2.360 -9.375 -6.930 1.00 0.00 C ATOM 470 C THR A 45 -1.753 -9.641 -5.553 1.00 0.00 C ATOM 471 O THR A 45 -1.571 -8.730 -4.761 1.00 0.00 O ATOM 472 CB THR A 45 -1.363 -8.601 -7.795 1.00 0.00 C ATOM 473 OG1 THR A 45 -0.199 -9.391 -7.995 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.977 -7.296 -7.102 1.00 0.00 C ATOM 0 H THR A 45 -3.519 -7.582 -6.933 1.00 0.00 H new ATOM 0 HA THR A 45 -2.591 -10.316 -7.430 1.00 0.00 H new ATOM 0 HB THR A 45 -1.823 -8.374 -8.757 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.440 -8.897 -8.550 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.267 -6.750 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.868 -6.688 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.520 -7.518 -6.138 1.00 0.00 H new ATOM 482 N LYS A 46 -1.463 -10.885 -5.255 1.00 0.00 N ATOM 483 CA LYS A 46 -0.892 -11.240 -3.917 1.00 0.00 C ATOM 484 C LYS A 46 0.400 -12.030 -4.095 1.00 0.00 C ATOM 485 O LYS A 46 0.586 -12.730 -5.070 1.00 0.00 O ATOM 486 CB LYS A 46 -1.890 -12.121 -3.161 1.00 0.00 C ATOM 487 CG LYS A 46 -3.153 -11.323 -2.843 1.00 0.00 C ATOM 488 CD LYS A 46 -4.223 -12.263 -2.274 1.00 0.00 C ATOM 489 CE LYS A 46 -3.811 -12.763 -0.882 1.00 0.00 C ATOM 490 NZ LYS A 46 -5.026 -13.218 -0.147 1.00 0.00 N ATOM 0 H LYS A 46 -1.598 -11.675 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.693 -10.322 -3.364 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.143 -12.995 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.439 -12.487 -2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.927 -10.535 -2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.524 -10.835 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.178 -11.742 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.365 -13.111 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.098 -13.582 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.313 -11.967 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.753 -13.558 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.691 -12.424 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.482 -13.990 -0.674 1.00 0.00 H new ATOM 504 N ARG A 47 1.290 -11.938 -3.139 1.00 0.00 N ATOM 505 CA ARG A 47 2.574 -12.700 -3.224 1.00 0.00 C ATOM 506 C ARG A 47 2.926 -13.230 -1.832 1.00 0.00 C ATOM 507 O ARG A 47 2.899 -12.510 -0.855 1.00 0.00 O ATOM 508 CB ARG A 47 3.691 -11.783 -3.734 1.00 0.00 C ATOM 509 CG ARG A 47 3.627 -10.425 -3.025 1.00 0.00 C ATOM 510 CD ARG A 47 4.878 -9.613 -3.371 1.00 0.00 C ATOM 511 NE ARG A 47 4.935 -9.393 -4.843 1.00 0.00 N ATOM 512 CZ ARG A 47 5.765 -8.520 -5.345 1.00 0.00 C ATOM 513 NH1 ARG A 47 6.564 -7.850 -4.559 1.00 0.00 N ATOM 514 NH2 ARG A 47 5.802 -8.322 -6.633 1.00 0.00 N ATOM 0 H ARG A 47 1.183 -11.367 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 47 2.464 -13.534 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.661 -12.248 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.594 -11.644 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.732 -9.884 -3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.559 -10.568 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.859 -8.656 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.771 -10.141 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 47 4.323 -9.926 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.540 -8.009 -3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.212 -7.168 -4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.182 -8.849 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.451 -7.640 -7.026 1.00 0.00 H new ATOM 528 N LYS A 48 3.241 -14.496 -1.731 1.00 0.00 N ATOM 529 CA LYS A 48 3.578 -15.080 -0.396 1.00 0.00 C ATOM 530 C LYS A 48 5.086 -14.951 -0.146 1.00 0.00 C ATOM 531 O LYS A 48 5.885 -15.653 -0.733 1.00 0.00 O ATOM 532 CB LYS A 48 3.151 -16.574 -0.340 1.00 0.00 C ATOM 533 CG LYS A 48 2.981 -17.156 -1.753 1.00 0.00 C ATOM 534 CD LYS A 48 4.334 -17.201 -2.468 1.00 0.00 C ATOM 535 CE LYS A 48 4.210 -18.050 -3.735 1.00 0.00 C ATOM 536 NZ LYS A 48 4.022 -19.482 -3.360 1.00 0.00 N ATOM 0 H LYS A 48 3.280 -15.150 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 48 3.038 -14.536 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.899 -17.149 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.214 -16.667 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.559 -18.159 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.279 -16.548 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.657 -16.192 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.093 -17.621 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.367 -17.707 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.104 -17.938 -4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.352 -20.090 -4.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.569 -19.690 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.014 -19.665 -3.182 1.00 0.00 H new ATOM 550 N LYS A 49 5.480 -14.071 0.740 1.00 0.00 N ATOM 551 CA LYS A 49 6.933 -13.916 1.042 1.00 0.00 C ATOM 552 C LYS A 49 7.314 -14.886 2.162 1.00 0.00 C ATOM 553 O LYS A 49 6.676 -14.932 3.196 1.00 0.00 O ATOM 554 CB LYS A 49 7.223 -12.480 1.487 1.00 0.00 C ATOM 555 CG LYS A 49 6.884 -11.525 0.342 1.00 0.00 C ATOM 556 CD LYS A 49 7.373 -10.108 0.676 1.00 0.00 C ATOM 557 CE LYS A 49 8.900 -10.012 0.530 1.00 0.00 C ATOM 558 NZ LYS A 49 9.280 -8.591 0.303 1.00 0.00 N ATOM 0 H LYS A 49 4.859 -13.455 1.265 1.00 0.00 H new ATOM 0 HA LYS A 49 7.517 -14.134 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.633 -12.233 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.272 -12.377 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.350 -11.871 -0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.807 -11.516 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.893 -9.387 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.083 -9.848 1.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.388 -10.393 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.237 -10.629 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.313 -8.519 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.824 -8.244 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.970 -8.015 1.112 1.00 0.00 H new ATOM 572 N GLU A 50 8.340 -15.668 1.966 1.00 0.00 N ATOM 573 CA GLU A 50 8.747 -16.641 3.023 1.00 0.00 C ATOM 574 C GLU A 50 9.513 -15.920 4.138 1.00 0.00 C ATOM 575 O GLU A 50 10.062 -14.854 3.941 1.00 0.00 O ATOM 576 CB GLU A 50 9.626 -17.746 2.412 1.00 0.00 C ATOM 577 CG GLU A 50 10.904 -17.157 1.790 1.00 0.00 C ATOM 578 CD GLU A 50 10.566 -16.444 0.480 1.00 0.00 C ATOM 579 OE1 GLU A 50 9.483 -16.670 -0.034 1.00 0.00 O ATOM 580 OE2 GLU A 50 11.395 -15.679 0.015 1.00 0.00 O ATOM 0 H GLU A 50 8.914 -15.677 1.123 1.00 0.00 H new ATOM 0 HA GLU A 50 7.851 -17.094 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.893 -18.470 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.062 -18.284 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.368 -16.458 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.628 -17.951 1.606 1.00 0.00 H new ATOM 587 N GLY A 51 9.563 -16.503 5.307 1.00 0.00 N ATOM 588 CA GLY A 51 10.300 -15.862 6.434 1.00 0.00 C ATOM 589 C GLY A 51 9.473 -14.709 7.008 1.00 0.00 C ATOM 590 O GLY A 51 8.261 -14.765 7.046 1.00 0.00 O ATOM 0 H GLY A 51 9.124 -17.397 5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.504 -16.598 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.264 -15.491 6.086 1.00 0.00 H new ATOM 594 N VAL A 52 10.127 -13.672 7.467 1.00 0.00 N ATOM 595 CA VAL A 52 9.399 -12.506 8.050 1.00 0.00 C ATOM 596 C VAL A 52 8.560 -12.990 9.238 1.00 0.00 C ATOM 597 O VAL A 52 8.691 -14.116 9.678 1.00 0.00 O ATOM 598 CB VAL A 52 8.515 -11.863 6.964 1.00 0.00 C ATOM 599 CG1 VAL A 52 7.860 -10.565 7.487 1.00 0.00 C ATOM 600 CG2 VAL A 52 9.397 -11.546 5.749 1.00 0.00 C ATOM 0 H VAL A 52 11.143 -13.583 7.462 1.00 0.00 H new ATOM 0 HA VAL A 52 10.102 -11.752 8.405 1.00 0.00 H new ATOM 0 HB VAL A 52 7.719 -12.554 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.241 -10.129 6.703 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.240 -10.794 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.636 -9.855 7.773 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.789 -11.090 4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.188 -10.856 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.841 -12.467 5.372 1.00 0.00 H new ATOM 610 N LYS A 53 7.707 -12.159 9.769 1.00 0.00 N ATOM 611 CA LYS A 53 6.877 -12.591 10.930 1.00 0.00 C ATOM 612 C LYS A 53 5.985 -13.765 10.518 1.00 0.00 C ATOM 613 O LYS A 53 5.438 -13.792 9.433 1.00 0.00 O ATOM 614 CB LYS A 53 6.010 -11.415 11.403 1.00 0.00 C ATOM 615 CG LYS A 53 5.138 -11.825 12.604 1.00 0.00 C ATOM 616 CD LYS A 53 6.022 -12.225 13.795 1.00 0.00 C ATOM 617 CE LYS A 53 5.207 -12.159 15.090 1.00 0.00 C ATOM 618 NZ LYS A 53 4.720 -10.766 15.301 1.00 0.00 N ATOM 0 H LYS A 53 7.548 -11.203 9.451 1.00 0.00 H new ATOM 0 HA LYS A 53 7.528 -12.909 11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.648 -10.576 11.681 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.374 -11.075 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.487 -10.998 12.888 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.493 -12.658 12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.410 -13.233 13.649 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.882 -11.559 13.861 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.363 -12.846 15.036 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.820 -12.473 15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.666 -10.568 16.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.378 -10.097 14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.776 -10.660 14.877 1.00 0.00 H new ATOM 632 N GLY A 54 5.829 -14.735 11.381 1.00 0.00 N ATOM 633 CA GLY A 54 4.967 -15.906 11.045 1.00 0.00 C ATOM 634 C GLY A 54 5.744 -16.895 10.176 1.00 0.00 C ATOM 635 O GLY A 54 6.758 -17.430 10.579 1.00 0.00 O ATOM 0 H GLY A 54 6.262 -14.766 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.633 -16.397 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.073 -15.571 10.519 1.00 0.00 H new ATOM 639 N GLY A 55 5.271 -17.149 8.987 1.00 0.00 N ATOM 640 CA GLY A 55 5.976 -18.106 8.089 1.00 0.00 C ATOM 641 C GLY A 55 5.376 -18.014 6.686 1.00 0.00 C ATOM 642 O GLY A 55 5.846 -18.636 5.755 1.00 0.00 O ATOM 0 H GLY A 55 4.424 -16.734 8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.041 -17.877 8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.880 -19.122 8.473 1.00 0.00 H new ATOM 646 N LYS A 56 4.339 -17.234 6.531 1.00 0.00 N ATOM 647 CA LYS A 56 3.697 -17.082 5.192 1.00 0.00 C ATOM 648 C LYS A 56 3.169 -15.652 5.054 1.00 0.00 C ATOM 649 O LYS A 56 1.978 -15.422 5.015 1.00 0.00 O ATOM 650 CB LYS A 56 2.532 -18.074 5.059 1.00 0.00 C ATOM 651 CG LYS A 56 1.647 -18.046 6.331 1.00 0.00 C ATOM 652 CD LYS A 56 2.081 -19.148 7.317 1.00 0.00 C ATOM 653 CE LYS A 56 1.412 -20.477 6.943 1.00 0.00 C ATOM 654 NZ LYS A 56 -0.061 -20.355 7.139 1.00 0.00 N ATOM 0 H LYS A 56 3.906 -16.692 7.279 1.00 0.00 H new ATOM 0 HA LYS A 56 4.428 -17.285 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.931 -17.823 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.920 -19.080 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.722 -17.070 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.602 -18.187 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.165 -19.259 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.807 -18.867 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.633 -20.731 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.808 -21.284 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.454 -21.280 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.255 -19.666 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.503 -20.034 6.254 1.00 0.00 H new ATOM 668 N ALA A 57 4.049 -14.688 4.987 1.00 0.00 N ATOM 669 CA ALA A 57 3.598 -13.272 4.859 1.00 0.00 C ATOM 670 C ALA A 57 2.977 -13.052 3.480 1.00 0.00 C ATOM 671 O ALA A 57 3.413 -13.618 2.498 1.00 0.00 O ATOM 672 CB ALA A 57 4.800 -12.338 5.031 1.00 0.00 C ATOM 0 H ALA A 57 5.060 -14.820 5.015 1.00 0.00 H new ATOM 0 HA ALA A 57 2.855 -13.058 5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.472 -11.303 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.242 -12.492 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.542 -12.554 4.262 1.00 0.00 H new ATOM 678 N VAL A 58 1.963 -12.227 3.405 1.00 0.00 N ATOM 679 CA VAL A 58 1.294 -11.943 2.095 1.00 0.00 C ATOM 680 C VAL A 58 1.167 -10.428 1.912 1.00 0.00 C ATOM 681 O VAL A 58 0.947 -9.700 2.859 1.00 0.00 O ATOM 682 CB VAL A 58 -0.098 -12.582 2.081 1.00 0.00 C ATOM 683 CG1 VAL A 58 0.042 -14.105 2.031 1.00 0.00 C ATOM 684 CG2 VAL A 58 -0.868 -12.180 3.345 1.00 0.00 C ATOM 0 H VAL A 58 1.565 -11.732 4.203 1.00 0.00 H new ATOM 0 HA VAL A 58 1.888 -12.360 1.282 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.644 -12.236 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.948 -14.561 2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.583 -14.391 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.591 -14.449 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.857 -12.637 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.324 -12.521 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.970 -11.095 3.379 1.00 0.00 H new ATOM 694 N GLU A 59 1.321 -9.948 0.700 1.00 0.00 N ATOM 695 CA GLU A 59 1.228 -8.473 0.443 1.00 0.00 C ATOM 696 C GLU A 59 0.284 -8.213 -0.735 1.00 0.00 C ATOM 697 O GLU A 59 0.027 -9.089 -1.537 1.00 0.00 O ATOM 698 CB GLU A 59 2.622 -7.943 0.098 1.00 0.00 C ATOM 699 CG GLU A 59 3.554 -8.142 1.295 1.00 0.00 C ATOM 700 CD GLU A 59 4.979 -7.736 0.914 1.00 0.00 C ATOM 701 OE1 GLU A 59 5.178 -7.341 -0.223 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.849 -7.830 1.765 1.00 0.00 O ATOM 0 H GLU A 59 1.508 -10.516 -0.126 1.00 0.00 H new ATOM 0 HA GLU A 59 0.844 -7.969 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.016 -8.465 -0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.567 -6.886 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.209 -7.545 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.536 -9.184 1.613 1.00 0.00 H new ATOM 709 N TYR A 60 -0.232 -7.007 -0.836 1.00 0.00 N ATOM 710 CA TYR A 60 -1.169 -6.653 -1.953 1.00 0.00 C ATOM 711 C TYR A 60 -0.628 -5.415 -2.671 1.00 0.00 C ATOM 712 O TYR A 60 -0.131 -4.500 -2.045 1.00 0.00 O ATOM 713 CB TYR A 60 -2.542 -6.319 -1.366 1.00 0.00 C ATOM 714 CG TYR A 60 -2.980 -7.435 -0.455 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.527 -7.464 0.868 1.00 0.00 C ATOM 716 CD2 TYR A 60 -3.835 -8.437 -0.926 1.00 0.00 C ATOM 717 CE1 TYR A 60 -2.928 -8.496 1.721 1.00 0.00 C ATOM 718 CE2 TYR A 60 -4.238 -9.470 -0.072 1.00 0.00 C ATOM 719 CZ TYR A 60 -3.783 -9.500 1.252 1.00 0.00 C ATOM 720 OH TYR A 60 -4.178 -10.520 2.094 1.00 0.00 O ATOM 0 H TYR A 60 -0.041 -6.246 -0.184 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.254 -7.488 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.495 -5.381 -0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.269 -6.182 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.868 -6.689 1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.184 -8.413 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.578 -8.519 2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.899 -10.243 -0.434 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.021 -10.902 1.772 1.00 0.00 H new ATOM 730 N ASP A 61 -0.720 -5.364 -3.973 1.00 0.00 N ATOM 731 CA ASP A 61 -0.203 -4.160 -4.697 1.00 0.00 C ATOM 732 C ASP A 61 -1.226 -3.028 -4.589 1.00 0.00 C ATOM 733 O ASP A 61 -2.369 -3.177 -4.971 1.00 0.00 O ATOM 734 CB ASP A 61 0.017 -4.489 -6.173 1.00 0.00 C ATOM 735 CG ASP A 61 0.674 -3.295 -6.869 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.593 -2.203 -6.331 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.248 -3.493 -7.928 1.00 0.00 O ATOM 0 H ASP A 61 -1.124 -6.092 -4.562 1.00 0.00 H new ATOM 0 HA ASP A 61 0.743 -3.856 -4.249 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.648 -5.372 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.935 -4.723 -6.650 1.00 0.00 H new ATOM 742 N VAL A 62 -0.833 -1.895 -4.072 1.00 0.00 N ATOM 743 CA VAL A 62 -1.784 -0.755 -3.941 1.00 0.00 C ATOM 744 C VAL A 62 -2.215 -0.267 -5.330 1.00 0.00 C ATOM 745 O VAL A 62 -3.338 0.147 -5.531 1.00 0.00 O ATOM 746 CB VAL A 62 -1.095 0.381 -3.177 1.00 0.00 C ATOM 747 CG1 VAL A 62 -1.963 1.643 -3.222 1.00 0.00 C ATOM 748 CG2 VAL A 62 -0.893 -0.047 -1.721 1.00 0.00 C ATOM 0 H VAL A 62 0.111 -1.710 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.671 -1.079 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.131 0.596 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.466 2.446 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.111 1.946 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.930 1.436 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.403 0.756 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.861 -0.261 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.271 -0.942 -1.688 1.00 0.00 H new ATOM 758 N MET A 63 -1.322 -0.287 -6.280 1.00 0.00 N ATOM 759 CA MET A 63 -1.668 0.201 -7.648 1.00 0.00 C ATOM 760 C MET A 63 -2.608 -0.787 -8.347 1.00 0.00 C ATOM 761 O MET A 63 -2.929 -0.624 -9.508 1.00 0.00 O ATOM 762 CB MET A 63 -0.388 0.349 -8.473 1.00 0.00 C ATOM 763 CG MET A 63 0.543 1.358 -7.796 1.00 0.00 C ATOM 764 SD MET A 63 -0.174 3.020 -7.908 1.00 0.00 S ATOM 765 CE MET A 63 0.243 3.368 -9.639 1.00 0.00 C ATOM 0 H MET A 63 -0.365 -0.621 -6.169 1.00 0.00 H new ATOM 0 HA MET A 63 -2.169 1.165 -7.561 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.111 -0.616 -8.566 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.630 0.682 -9.482 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.693 1.085 -6.751 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.523 1.341 -8.273 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.923 4.219 -9.686 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.724 2.495 -10.080 1.00 0.00 H new ATOM 0 HE3 MET A 63 -0.667 3.600 -10.193 1.00 0.00 H new ATOM 775 N SER A 64 -3.050 -1.810 -7.656 1.00 0.00 N ATOM 776 CA SER A 64 -3.972 -2.813 -8.287 1.00 0.00 C ATOM 777 C SER A 64 -5.405 -2.605 -7.779 1.00 0.00 C ATOM 778 O SER A 64 -6.359 -2.999 -8.420 1.00 0.00 O ATOM 779 CB SER A 64 -3.510 -4.220 -7.914 1.00 0.00 C ATOM 780 OG SER A 64 -2.288 -4.503 -8.582 1.00 0.00 O ATOM 0 H SER A 64 -2.813 -1.996 -6.681 1.00 0.00 H new ATOM 0 HA SER A 64 -3.953 -2.685 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.375 -4.297 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.269 -4.951 -8.193 1.00 0.00 H new ATOM 0 HG SER A 64 -2.225 -5.466 -8.754 1.00 0.00 H new ATOM 786 N MET A 65 -5.569 -1.981 -6.643 1.00 0.00 N ATOM 787 CA MET A 65 -6.949 -1.743 -6.114 1.00 0.00 C ATOM 788 C MET A 65 -7.558 -0.524 -6.833 1.00 0.00 C ATOM 789 O MET A 65 -6.840 0.349 -7.278 1.00 0.00 O ATOM 790 CB MET A 65 -6.899 -1.508 -4.590 1.00 0.00 C ATOM 791 CG MET A 65 -5.622 -0.754 -4.199 1.00 0.00 C ATOM 792 SD MET A 65 -5.657 -0.398 -2.420 1.00 0.00 S ATOM 793 CE MET A 65 -4.973 -1.972 -1.827 1.00 0.00 C ATOM 0 H MET A 65 -4.812 -1.626 -6.059 1.00 0.00 H new ATOM 0 HA MET A 65 -7.572 -2.618 -6.301 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.774 -0.939 -4.276 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.937 -2.464 -4.068 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.744 -1.351 -4.445 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.546 0.174 -4.766 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.516 -2.293 -0.938 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.073 -2.728 -2.605 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.919 -1.841 -1.581 1.00 0.00 H new ATOM 803 N PRO A 66 -8.868 -0.458 -6.960 1.00 0.00 N ATOM 804 CA PRO A 66 -9.543 0.682 -7.652 1.00 0.00 C ATOM 805 C PRO A 66 -9.076 2.042 -7.107 1.00 0.00 C ATOM 806 O PRO A 66 -8.390 2.119 -6.108 1.00 0.00 O ATOM 807 CB PRO A 66 -11.054 0.451 -7.402 1.00 0.00 C ATOM 808 CG PRO A 66 -11.138 -0.631 -6.362 1.00 0.00 C ATOM 809 CD PRO A 66 -9.844 -1.439 -6.465 1.00 0.00 C ATOM 0 HA PRO A 66 -9.304 0.712 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.537 1.365 -7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.561 0.151 -8.319 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.249 -0.203 -5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.006 -1.267 -6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -9.548 -1.848 -5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.950 -2.281 -7.149 1.00 0.00 H new ATOM 817 N THR A 67 -9.426 3.111 -7.776 1.00 0.00 N ATOM 818 CA THR A 67 -8.988 4.464 -7.332 1.00 0.00 C ATOM 819 C THR A 67 -9.660 4.866 -6.014 1.00 0.00 C ATOM 820 O THR A 67 -9.063 5.524 -5.185 1.00 0.00 O ATOM 821 CB THR A 67 -9.356 5.482 -8.412 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.770 5.559 -8.520 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.764 5.051 -9.758 1.00 0.00 C ATOM 0 H THR A 67 -10.002 3.102 -8.618 1.00 0.00 H new ATOM 0 HA THR A 67 -7.910 4.442 -7.172 1.00 0.00 H new ATOM 0 HB THR A 67 -8.953 6.458 -8.141 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.010 6.212 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.030 5.781 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.679 4.991 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.162 4.074 -10.034 1.00 0.00 H new ATOM 831 N LYS A 68 -10.900 4.510 -5.816 1.00 0.00 N ATOM 832 CA LYS A 68 -11.589 4.915 -4.555 1.00 0.00 C ATOM 833 C LYS A 68 -10.806 4.390 -3.350 1.00 0.00 C ATOM 834 O LYS A 68 -10.513 5.123 -2.427 1.00 0.00 O ATOM 835 CB LYS A 68 -13.011 4.345 -4.544 1.00 0.00 C ATOM 836 CG LYS A 68 -13.738 4.753 -3.255 1.00 0.00 C ATOM 837 CD LYS A 68 -15.155 4.177 -3.275 1.00 0.00 C ATOM 838 CE LYS A 68 -15.884 4.537 -1.978 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.274 3.999 -2.028 1.00 0.00 N ATOM 0 H LYS A 68 -11.463 3.961 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.639 6.002 -4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.562 4.708 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.975 3.258 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.195 4.385 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.775 5.839 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.704 4.569 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.115 3.094 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.352 4.123 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.905 5.619 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.772 4.242 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.778 4.414 -2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.242 2.965 -2.134 1.00 0.00 H new ATOM 853 N GLU A 69 -10.457 3.134 -3.344 1.00 0.00 N ATOM 854 CA GLU A 69 -9.686 2.593 -2.189 1.00 0.00 C ATOM 855 C GLU A 69 -8.298 3.233 -2.162 1.00 0.00 C ATOM 856 O GLU A 69 -7.751 3.514 -1.114 1.00 0.00 O ATOM 857 CB GLU A 69 -9.531 1.074 -2.316 1.00 0.00 C ATOM 858 CG GLU A 69 -10.879 0.377 -2.093 1.00 0.00 C ATOM 859 CD GLU A 69 -11.387 0.644 -0.675 1.00 0.00 C ATOM 860 OE1 GLU A 69 -10.561 0.799 0.210 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.593 0.691 -0.498 1.00 0.00 O ATOM 0 H GLU A 69 -10.670 2.463 -4.082 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.224 2.823 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.144 0.823 -3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.804 0.714 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.607 0.736 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.772 -0.696 -2.252 1.00 0.00 H new ATOM 868 N ARG A 70 -7.716 3.450 -3.310 1.00 0.00 N ATOM 869 CA ARG A 70 -6.354 4.050 -3.357 1.00 0.00 C ATOM 870 C ARG A 70 -6.370 5.415 -2.664 1.00 0.00 C ATOM 871 O ARG A 70 -5.482 5.741 -1.907 1.00 0.00 O ATOM 872 CB ARG A 70 -5.944 4.224 -4.821 1.00 0.00 C ATOM 873 CG ARG A 70 -4.523 4.784 -4.911 1.00 0.00 C ATOM 874 CD ARG A 70 -4.149 4.943 -6.384 1.00 0.00 C ATOM 875 NE ARG A 70 -4.970 6.038 -6.975 1.00 0.00 N ATOM 876 CZ ARG A 70 -4.680 6.517 -8.152 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.693 6.009 -8.837 1.00 0.00 N ATOM 878 NH2 ARG A 70 -5.384 7.495 -8.650 1.00 0.00 N ATOM 0 H ARG A 70 -8.127 3.237 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.644 3.399 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.998 3.266 -5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.640 4.896 -5.323 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.463 5.745 -4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.821 4.115 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.088 5.173 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.323 4.010 -6.920 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.763 6.414 -6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.149 5.237 -8.452 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.466 6.383 -9.758 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.162 7.886 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.157 7.870 -9.571 1.00 0.00 H new ATOM 892 N GLU A 71 -7.372 6.213 -2.901 1.00 0.00 N ATOM 893 CA GLU A 71 -7.424 7.545 -2.237 1.00 0.00 C ATOM 894 C GLU A 71 -7.443 7.344 -0.722 1.00 0.00 C ATOM 895 O GLU A 71 -6.807 8.065 0.021 1.00 0.00 O ATOM 896 CB GLU A 71 -8.685 8.290 -2.677 1.00 0.00 C ATOM 897 CG GLU A 71 -8.545 8.698 -4.144 1.00 0.00 C ATOM 898 CD GLU A 71 -9.840 9.360 -4.616 1.00 0.00 C ATOM 899 OE1 GLU A 71 -10.809 9.311 -3.878 1.00 0.00 O ATOM 900 OE2 GLU A 71 -9.840 9.903 -5.709 1.00 0.00 O ATOM 0 H GLU A 71 -8.153 6.003 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.550 8.132 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.561 7.655 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.836 9.172 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.708 9.386 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.327 7.823 -4.757 1.00 0.00 H new ATOM 907 N GLN A 72 -8.164 6.363 -0.262 1.00 0.00 N ATOM 908 CA GLN A 72 -8.228 6.102 1.200 1.00 0.00 C ATOM 909 C GLN A 72 -6.840 5.690 1.700 1.00 0.00 C ATOM 910 O GLN A 72 -6.415 6.079 2.769 1.00 0.00 O ATOM 911 CB GLN A 72 -9.221 4.968 1.467 1.00 0.00 C ATOM 912 CG GLN A 72 -10.629 5.404 1.054 1.00 0.00 C ATOM 913 CD GLN A 72 -11.109 6.539 1.963 1.00 0.00 C ATOM 914 OE1 GLN A 72 -10.777 6.538 3.225 1.00 0.00 O flip ATOM 915 NE2 GLN A 72 -11.805 7.433 1.520 1.00 0.00 N flip ATOM 0 H GLN A 72 -8.715 5.727 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.552 7.003 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.928 4.077 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.208 4.702 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.627 5.734 0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.315 4.559 1.119 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.066 7.435 0.534 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.128 8.180 2.135 1.00 0.00 H new ATOM 924 N VAL A 73 -6.133 4.902 0.935 1.00 0.00 N ATOM 925 CA VAL A 73 -4.776 4.460 1.371 1.00 0.00 C ATOM 926 C VAL A 73 -3.824 5.662 1.365 1.00 0.00 C ATOM 927 O VAL A 73 -3.120 5.910 2.322 1.00 0.00 O ATOM 928 CB VAL A 73 -4.262 3.393 0.399 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.782 3.095 0.674 1.00 0.00 C ATOM 930 CG2 VAL A 73 -5.085 2.114 0.571 1.00 0.00 C ATOM 0 H VAL A 73 -6.435 4.546 0.028 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.827 4.045 2.378 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.363 3.761 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.428 2.335 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.197 4.006 0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.668 2.732 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.722 1.352 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.986 1.753 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.133 2.325 0.360 1.00 0.00 H new ATOM 940 N ILE A 74 -3.803 6.411 0.300 1.00 0.00 N ATOM 941 CA ILE A 74 -2.898 7.594 0.239 1.00 0.00 C ATOM 942 C ILE A 74 -3.258 8.560 1.369 1.00 0.00 C ATOM 943 O ILE A 74 -2.394 9.143 1.995 1.00 0.00 O ATOM 944 CB ILE A 74 -3.047 8.297 -1.114 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.660 7.341 -2.259 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.153 9.538 -1.150 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.234 6.799 -2.079 1.00 0.00 C ATOM 0 H ILE A 74 -4.373 6.257 -0.532 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.864 7.267 0.353 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.087 8.596 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.365 6.510 -2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.734 7.864 -3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.261 10.036 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.447 10.221 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.114 9.242 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.993 6.128 -2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.528 7.629 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.168 6.255 -1.137 1.00 0.00 H new ATOM 959 N ALA A 75 -4.520 8.741 1.637 1.00 0.00 N ATOM 960 CA ALA A 75 -4.914 9.674 2.726 1.00 0.00 C ATOM 961 C ALA A 75 -4.279 9.209 4.041 1.00 0.00 C ATOM 962 O ALA A 75 -3.813 10.009 4.827 1.00 0.00 O ATOM 963 CB ALA A 75 -6.438 9.680 2.870 1.00 0.00 C ATOM 0 H ALA A 75 -5.292 8.285 1.151 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.571 10.681 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.725 10.364 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.891 10.005 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.785 8.675 3.111 1.00 0.00 H new ATOM 969 N HIS A 76 -4.246 7.926 4.287 1.00 0.00 N ATOM 970 CA HIS A 76 -3.630 7.437 5.554 1.00 0.00 C ATOM 971 C HIS A 76 -2.161 7.866 5.598 1.00 0.00 C ATOM 972 O HIS A 76 -1.701 8.434 6.567 1.00 0.00 O ATOM 973 CB HIS A 76 -3.713 5.910 5.611 1.00 0.00 C ATOM 974 CG HIS A 76 -3.090 5.425 6.892 1.00 0.00 C ATOM 975 ND1 HIS A 76 -1.784 5.381 7.318 1.00 0.00 N flip ATOM 976 CD2 HIS A 76 -3.845 4.916 7.936 1.00 0.00 C flip ATOM 977 CE1 HIS A 76 -1.729 4.854 8.604 1.00 0.00 C flip ATOM 978 NE2 HIS A 76 -2.997 4.591 8.930 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.615 7.202 3.671 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.164 7.860 6.405 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.753 5.589 5.555 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.198 5.474 4.755 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.919 4.801 7.950 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.849 4.692 9.209 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.288 4.193 9.823 1.00 0.00 H new ATOM 986 N LEU A 77 -1.421 7.613 4.550 1.00 0.00 N ATOM 987 CA LEU A 77 0.011 8.028 4.530 1.00 0.00 C ATOM 988 C LEU A 77 0.086 9.553 4.427 1.00 0.00 C ATOM 989 O LEU A 77 1.019 10.173 4.895 1.00 0.00 O ATOM 990 CB LEU A 77 0.728 7.408 3.322 1.00 0.00 C ATOM 991 CG LEU A 77 0.994 5.914 3.561 1.00 0.00 C ATOM 992 CD1 LEU A 77 -0.305 5.112 3.445 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.990 5.409 2.515 1.00 0.00 C ATOM 0 H LEU A 77 -1.747 7.137 3.709 1.00 0.00 H new ATOM 0 HA LEU A 77 0.495 7.686 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.120 7.536 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.670 7.927 3.145 1.00 0.00 H new ATOM 0 HG LEU A 77 1.400 5.784 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.097 4.056 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.019 5.467 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.724 5.241 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.183 4.349 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.574 5.552 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.923 5.966 2.602 1.00 0.00 H new ATOM 1005 N GLY A 78 -0.886 10.156 3.799 1.00 0.00 N ATOM 1006 CA GLY A 78 -0.876 11.637 3.634 1.00 0.00 C ATOM 1007 C GLY A 78 -0.868 12.327 5.001 1.00 0.00 C ATOM 1008 O GLY A 78 -0.223 13.340 5.184 1.00 0.00 O ATOM 0 H GLY A 78 -1.692 9.683 3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.001 11.940 3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.751 11.952 3.066 1.00 0.00 H new ATOM 1012 N LEU A 79 -1.584 11.801 5.960 1.00 0.00 N ATOM 1013 CA LEU A 79 -1.616 12.453 7.304 1.00 0.00 C ATOM 1014 C LEU A 79 -0.456 11.940 8.163 1.00 0.00 C ATOM 1015 O LEU A 79 -0.163 12.481 9.210 1.00 0.00 O ATOM 1016 CB LEU A 79 -2.967 12.147 7.983 1.00 0.00 C ATOM 1017 CG LEU A 79 -2.995 10.706 8.576 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -2.716 10.738 10.086 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -4.377 10.074 8.354 1.00 0.00 C ATOM 0 H LEU A 79 -2.145 10.954 5.873 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.508 13.532 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.149 12.872 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.773 12.259 7.258 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.226 10.120 8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.740 9.723 10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.733 11.175 10.265 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.477 11.339 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.388 9.067 8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.137 10.680 8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.588 10.026 7.286 1.00 0.00 H new ATOM 1031 N SER A 80 0.215 10.905 7.725 1.00 0.00 N ATOM 1032 CA SER A 80 1.364 10.362 8.513 1.00 0.00 C ATOM 1033 C SER A 80 2.660 10.964 7.985 1.00 0.00 C ATOM 1034 O SER A 80 3.736 10.689 8.478 1.00 0.00 O ATOM 1035 CB SER A 80 1.402 8.836 8.384 1.00 0.00 C ATOM 1036 OG SER A 80 2.117 8.291 9.485 1.00 0.00 O ATOM 0 H SER A 80 0.017 10.412 6.855 1.00 0.00 H new ATOM 0 HA SER A 80 1.246 10.623 9.565 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.388 8.436 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.880 8.550 7.447 1.00 0.00 H new ATOM 0 HG SER A 80 2.916 8.832 9.656 1.00 0.00 H new ATOM 1042 N THR A 81 2.561 11.791 6.989 1.00 0.00 N ATOM 1043 CA THR A 81 3.775 12.426 6.426 1.00 0.00 C ATOM 1044 C THR A 81 4.589 13.057 7.561 1.00 0.00 C ATOM 1045 O THR A 81 5.099 14.152 7.442 1.00 0.00 O ATOM 1046 CB THR A 81 3.342 13.504 5.429 1.00 0.00 C ATOM 1047 OG1 THR A 81 2.207 14.187 5.942 1.00 0.00 O ATOM 1048 CG2 THR A 81 2.987 12.857 4.086 1.00 0.00 C ATOM 0 H THR A 81 1.685 12.056 6.538 1.00 0.00 H new ATOM 0 HA THR A 81 4.392 11.684 5.919 1.00 0.00 H new ATOM 0 HB THR A 81 4.159 14.210 5.280 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.419 13.960 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.680 13.629 3.380 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.858 12.332 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.171 12.149 4.228 1.00 0.00 H new TER 1056 THR A 81