USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 799 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 14 SER OG : rot 180:sc= -0.716 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.72,f=-1.8!) USER MOD Single : A 1 MET CE :methyl -152:sc= -0.262 (180deg=-1.54!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -167:sc= -7.27! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 32 SER OG : rot -168:sc= -0.849 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.535 USER MOD Single : A 44 ASN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.087) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 52 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.0074) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.511 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -168:sc=-0.00958 (180deg=-0.0759) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 86 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 45:sc= 0.701 USER MOD Single : A 92 LYS NZ :NH3+ -119:sc= -0.0118 (180deg=-0.299) USER MOD Single : A 95 HIS : no HE2:sc= -0.471 K(o=-0.47,f=-1.8) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00324 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 94.032 17.418 -4.539 1.00 0.00 N ATOM 2 CA GLY A -1 93.312 16.932 -3.326 1.00 0.00 C ATOM 3 C GLY A -1 93.408 15.407 -3.252 1.00 0.00 C ATOM 4 O GLY A -1 93.986 14.859 -2.330 1.00 0.00 O ATOM 0 H1 GLY A -1 93.967 18.455 -4.589 1.00 0.00 H new ATOM 0 H2 GLY A -1 95.032 17.136 -4.486 1.00 0.00 H new ATOM 0 H3 GLY A -1 93.600 17.002 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A -1 93.744 17.378 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A -1 92.267 17.240 -3.363 1.00 0.00 H new ATOM 10 N ALA A 0 92.845 14.722 -4.217 1.00 0.00 N ATOM 11 CA ALA A 0 92.897 13.228 -4.218 1.00 0.00 C ATOM 12 C ALA A 0 93.048 12.706 -5.650 1.00 0.00 C ATOM 13 O ALA A 0 92.650 13.355 -6.600 1.00 0.00 O ATOM 14 CB ALA A 0 91.560 12.786 -3.624 1.00 0.00 C ATOM 0 H ALA A 0 92.350 15.136 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 0 93.743 12.843 -3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 0 91.519 11.697 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 0 91.461 13.184 -2.614 1.00 0.00 H new ATOM 0 HB3 ALA A 0 90.745 13.161 -4.243 1.00 0.00 H new ATOM 20 N MET A 1 93.621 11.536 -5.804 1.00 0.00 N ATOM 21 CA MET A 1 93.811 10.959 -7.169 1.00 0.00 C ATOM 22 C MET A 1 92.514 10.304 -7.650 1.00 0.00 C ATOM 23 O MET A 1 92.204 10.317 -8.828 1.00 0.00 O ATOM 24 CB MET A 1 94.922 9.918 -7.015 1.00 0.00 C ATOM 25 CG MET A 1 96.231 10.617 -6.647 1.00 0.00 C ATOM 26 SD MET A 1 97.582 9.414 -6.657 1.00 0.00 S ATOM 27 CE MET A 1 96.913 8.309 -5.390 1.00 0.00 C ATOM 0 H MET A 1 93.966 10.956 -5.039 1.00 0.00 H new ATOM 0 HA MET A 1 94.073 11.719 -7.906 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.654 9.196 -6.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 95.044 9.361 -7.944 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.439 11.419 -7.355 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.146 11.076 -5.662 1.00 0.00 H new ATOM 0 HE1 MET A 1 97.732 7.802 -4.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 96.339 8.889 -4.668 1.00 0.00 H new ATOM 0 HE3 MET A 1 96.264 7.569 -5.858 1.00 0.00 H new ATOM 37 N GLY A 2 91.757 9.733 -6.745 1.00 0.00 N ATOM 38 CA GLY A 2 90.475 9.073 -7.135 1.00 0.00 C ATOM 39 C GLY A 2 90.766 7.665 -7.687 1.00 0.00 C ATOM 40 O GLY A 2 90.812 7.485 -8.888 1.00 0.00 O ATOM 0 H GLY A 2 91.974 9.696 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 2 89.811 9.007 -6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 2 89.961 9.671 -7.888 1.00 0.00 H new ATOM 44 N PRO A 3 90.957 6.703 -6.801 1.00 0.00 N ATOM 45 CA PRO A 3 91.238 5.315 -7.258 1.00 0.00 C ATOM 46 C PRO A 3 90.062 4.779 -8.083 1.00 0.00 C ATOM 47 O PRO A 3 88.913 4.940 -7.715 1.00 0.00 O ATOM 48 CB PRO A 3 91.406 4.513 -5.967 1.00 0.00 C ATOM 49 CG PRO A 3 91.580 5.522 -4.874 1.00 0.00 C ATOM 50 CD PRO A 3 90.932 6.798 -5.332 1.00 0.00 C ATOM 0 HA PRO A 3 92.119 5.254 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 3 90.535 3.884 -5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 3 92.270 3.851 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 3 91.122 5.169 -3.950 1.00 0.00 H new ATOM 0 HG3 PRO A 3 92.638 5.682 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 3 89.913 6.886 -4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 3 91.479 7.672 -4.979 1.00 0.00 H new ATOM 58 N THR A 4 90.348 4.145 -9.195 1.00 0.00 N ATOM 59 CA THR A 4 89.256 3.611 -10.067 1.00 0.00 C ATOM 60 C THR A 4 89.732 2.361 -10.812 1.00 0.00 C ATOM 61 O THR A 4 89.267 2.062 -11.897 1.00 0.00 O ATOM 62 CB THR A 4 88.945 4.739 -11.052 1.00 0.00 C ATOM 63 OG1 THR A 4 90.151 5.180 -11.660 1.00 0.00 O ATOM 64 CG2 THR A 4 88.289 5.903 -10.309 1.00 0.00 C ATOM 0 H THR A 4 91.294 3.974 -9.537 1.00 0.00 H new ATOM 0 HA THR A 4 88.377 3.319 -9.492 1.00 0.00 H new ATOM 0 HB THR A 4 88.263 4.373 -11.820 1.00 0.00 H new ATOM 0 HG1 THR A 4 89.953 5.902 -12.293 1.00 0.00 H new ATOM 0 HG21 THR A 4 88.068 6.706 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 4 87.363 5.563 -9.845 1.00 0.00 H new ATOM 0 HG23 THR A 4 88.967 6.272 -9.539 1.00 0.00 H new ATOM 72 N ASP A 5 90.658 1.634 -10.238 1.00 0.00 N ATOM 73 CA ASP A 5 91.186 0.406 -10.911 1.00 0.00 C ATOM 74 C ASP A 5 90.186 -0.746 -10.773 1.00 0.00 C ATOM 75 O ASP A 5 89.429 -0.809 -9.823 1.00 0.00 O ATOM 76 CB ASP A 5 92.491 0.075 -10.182 1.00 0.00 C ATOM 77 CG ASP A 5 93.503 1.208 -10.382 1.00 0.00 C ATOM 78 OD1 ASP A 5 93.441 1.864 -11.411 1.00 0.00 O ATOM 79 OD2 ASP A 5 94.326 1.401 -9.502 1.00 0.00 O ATOM 0 H ASP A 5 91.073 1.838 -9.329 1.00 0.00 H new ATOM 0 HA ASP A 5 91.347 0.561 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 5 92.297 -0.068 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 5 92.901 -0.861 -10.560 1.00 0.00 H new ATOM 84 N GLN A 6 90.182 -1.654 -11.720 1.00 0.00 N ATOM 85 CA GLN A 6 89.262 -2.834 -11.636 1.00 0.00 C ATOM 86 C GLN A 6 89.655 -3.777 -10.490 1.00 0.00 C ATOM 87 O GLN A 6 88.928 -4.698 -10.165 1.00 0.00 O ATOM 88 CB GLN A 6 89.385 -3.546 -12.986 1.00 0.00 C ATOM 89 CG GLN A 6 88.878 -2.622 -14.098 1.00 0.00 C ATOM 90 CD GLN A 6 89.040 -3.313 -15.455 1.00 0.00 C ATOM 91 OE1 GLN A 6 89.839 -4.217 -15.603 1.00 0.00 O ATOM 92 NE2 GLN A 6 88.309 -2.920 -16.462 1.00 0.00 N ATOM 0 H GLN A 6 90.777 -1.629 -12.548 1.00 0.00 H new ATOM 0 HA GLN A 6 88.239 -2.520 -11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 6 90.424 -3.820 -13.171 1.00 0.00 H new ATOM 0 HB3 GLN A 6 88.808 -4.471 -12.976 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.830 -2.373 -13.928 1.00 0.00 H new ATOM 0 HG3 GLN A 6 89.434 -1.685 -14.087 1.00 0.00 H new ATOM 0 HE21 GLN A 6 87.638 -2.162 -16.340 1.00 0.00 H new ATOM 0 HE22 GLN A 6 88.409 -3.371 -17.371 1.00 0.00 H new ATOM 101 N ASP A 7 90.792 -3.557 -9.879 1.00 0.00 N ATOM 102 CA ASP A 7 91.179 -4.367 -8.680 1.00 0.00 C ATOM 103 C ASP A 7 90.246 -4.048 -7.505 1.00 0.00 C ATOM 104 O ASP A 7 90.060 -4.862 -6.618 1.00 0.00 O ATOM 105 CB ASP A 7 92.619 -3.961 -8.354 1.00 0.00 C ATOM 106 CG ASP A 7 93.172 -4.875 -7.259 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.016 -4.537 -6.098 1.00 0.00 O ATOM 108 OD2 ASP A 7 93.740 -5.899 -7.601 1.00 0.00 O ATOM 0 H ASP A 7 91.472 -2.850 -10.159 1.00 0.00 H new ATOM 0 HA ASP A 7 91.101 -5.438 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 7 93.239 -4.031 -9.248 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.650 -2.922 -8.025 1.00 0.00 H new ATOM 113 N TRP A 8 89.660 -2.871 -7.493 1.00 0.00 N ATOM 114 CA TRP A 8 88.776 -2.478 -6.352 1.00 0.00 C ATOM 115 C TRP A 8 87.406 -3.162 -6.444 1.00 0.00 C ATOM 116 O TRP A 8 86.661 -3.166 -5.488 1.00 0.00 O ATOM 117 CB TRP A 8 88.615 -0.962 -6.447 1.00 0.00 C ATOM 118 CG TRP A 8 89.654 -0.200 -5.688 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.282 0.911 -6.144 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.196 -0.465 -4.358 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.181 1.354 -5.187 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.179 0.551 -4.067 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.946 -1.480 -3.362 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.897 0.565 -2.833 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.667 -1.472 -2.118 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.642 -0.451 -1.857 1.00 0.00 C ATOM 0 H TRP A 8 89.758 -2.168 -8.225 1.00 0.00 H new ATOM 0 HA TRP A 8 89.214 -2.783 -5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.653 -0.666 -7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.629 -0.686 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.109 1.378 -7.102 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.774 2.177 -5.298 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.213 -2.250 -3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.627 1.336 -2.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.475 -2.235 -1.379 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.184 -0.449 -0.923 1.00 0.00 H new ATOM 137 N ILE A 9 87.059 -3.747 -7.572 1.00 0.00 N ATOM 138 CA ILE A 9 85.651 -4.247 -7.757 1.00 0.00 C ATOM 139 C ILE A 9 85.277 -5.225 -6.627 1.00 0.00 C ATOM 140 O ILE A 9 86.027 -6.121 -6.290 1.00 0.00 O ATOM 141 CB ILE A 9 85.636 -4.951 -9.129 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.991 -3.952 -10.249 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.244 -5.536 -9.403 1.00 0.00 C ATOM 144 CD1 ILE A 9 85.005 -2.776 -10.258 1.00 0.00 C ATOM 0 H ILE A 9 87.682 -3.899 -8.365 1.00 0.00 H new ATOM 0 HA ILE A 9 84.923 -3.437 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 9 86.375 -5.752 -9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 9 87.006 -3.581 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.971 -4.458 -11.214 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.242 -6.031 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.994 -6.259 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.506 -4.734 -9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.273 -2.083 -11.055 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.995 -3.149 -10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.046 -2.259 -9.299 1.00 0.00 H new ATOM 156 N GLY A 10 84.115 -5.042 -6.048 1.00 0.00 N ATOM 157 CA GLY A 10 83.679 -5.910 -4.914 1.00 0.00 C ATOM 158 C GLY A 10 84.222 -5.412 -3.562 1.00 0.00 C ATOM 159 O GLY A 10 83.942 -6.011 -2.539 1.00 0.00 O ATOM 0 H GLY A 10 83.445 -4.321 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.590 -5.939 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 10 84.020 -6.931 -5.087 1.00 0.00 H new ATOM 163 N CYS A 11 84.991 -4.336 -3.532 1.00 0.00 N ATOM 164 CA CYS A 11 85.477 -3.806 -2.211 1.00 0.00 C ATOM 165 C CYS A 11 84.414 -2.895 -1.568 1.00 0.00 C ATOM 166 O CYS A 11 83.582 -2.329 -2.254 1.00 0.00 O ATOM 167 CB CYS A 11 86.818 -3.073 -2.500 1.00 0.00 C ATOM 168 SG CYS A 11 86.585 -1.404 -3.197 1.00 0.00 S ATOM 0 H CYS A 11 85.297 -3.812 -4.352 1.00 0.00 H new ATOM 0 HA CYS A 11 85.646 -4.602 -1.486 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.390 -2.998 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.410 -3.671 -3.193 1.00 0.00 H new ATOM 0 HG CYS A 11 87.715 -0.969 -3.669 1.00 0.00 H new ATOM 174 N ALA A 12 84.441 -2.760 -0.265 1.00 0.00 N ATOM 175 CA ALA A 12 83.382 -1.967 0.437 1.00 0.00 C ATOM 176 C ALA A 12 83.794 -0.496 0.529 1.00 0.00 C ATOM 177 O ALA A 12 84.810 -0.175 1.117 1.00 0.00 O ATOM 178 CB ALA A 12 83.295 -2.586 1.834 1.00 0.00 C ATOM 0 H ALA A 12 85.151 -3.165 0.345 1.00 0.00 H new ATOM 0 HA ALA A 12 82.427 -1.995 -0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.539 -2.062 2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.023 -3.638 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.261 -2.500 2.331 1.00 0.00 H new ATOM 184 N VAL A 13 83.015 0.393 -0.041 1.00 0.00 N ATOM 185 CA VAL A 13 83.390 1.842 -0.026 1.00 0.00 C ATOM 186 C VAL A 13 82.171 2.716 0.286 1.00 0.00 C ATOM 187 O VAL A 13 81.037 2.292 0.139 1.00 0.00 O ATOM 188 CB VAL A 13 83.928 2.141 -1.431 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.154 1.271 -1.698 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.854 1.837 -2.483 1.00 0.00 C ATOM 0 H VAL A 13 82.138 0.178 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 13 84.131 2.058 0.744 1.00 0.00 H new ATOM 0 HB VAL A 13 84.199 3.195 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.539 1.481 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.924 1.491 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.876 0.219 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.247 2.053 -3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.574 0.785 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.977 2.457 -2.297 1.00 0.00 H new ATOM 200 N SER A 14 82.405 3.931 0.716 1.00 0.00 N ATOM 201 CA SER A 14 81.283 4.888 0.931 1.00 0.00 C ATOM 202 C SER A 14 81.577 6.188 0.191 1.00 0.00 C ATOM 203 O SER A 14 82.708 6.634 0.141 1.00 0.00 O ATOM 204 CB SER A 14 81.231 5.123 2.440 1.00 0.00 C ATOM 205 OG SER A 14 80.438 6.272 2.709 1.00 0.00 O ATOM 0 H SER A 14 83.332 4.301 0.928 1.00 0.00 H new ATOM 0 HA SER A 14 80.332 4.508 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 14 80.811 4.251 2.941 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.238 5.262 2.833 1.00 0.00 H new ATOM 0 HG SER A 14 80.401 6.425 3.676 1.00 0.00 H new ATOM 211 N ILE A 15 80.570 6.793 -0.382 1.00 0.00 N ATOM 212 CA ILE A 15 80.806 7.987 -1.246 1.00 0.00 C ATOM 213 C ILE A 15 80.064 9.193 -0.676 1.00 0.00 C ATOM 214 O ILE A 15 78.854 9.171 -0.529 1.00 0.00 O ATOM 215 CB ILE A 15 80.247 7.627 -2.640 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.739 6.238 -3.118 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.702 8.685 -3.643 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.268 6.136 -3.039 1.00 0.00 C ATOM 0 H ILE A 15 79.594 6.512 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 15 81.864 8.243 -1.298 1.00 0.00 H new ATOM 0 HB ILE A 15 79.160 7.594 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.287 5.458 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.413 6.066 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.313 8.441 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.327 9.662 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.791 8.709 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.585 5.151 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.717 6.901 -3.672 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.590 6.284 -2.008 1.00 0.00 H new ATOM 230 N ALA A 16 80.783 10.240 -0.356 1.00 0.00 N ATOM 231 CA ALA A 16 80.128 11.481 0.148 1.00 0.00 C ATOM 232 C ALA A 16 79.988 12.487 -0.995 1.00 0.00 C ATOM 233 O ALA A 16 80.966 13.023 -1.480 1.00 0.00 O ATOM 234 CB ALA A 16 81.070 12.018 1.226 1.00 0.00 C ATOM 0 H ALA A 16 81.800 10.286 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 16 79.129 11.298 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.656 12.934 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.182 11.274 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.044 12.229 0.785 1.00 0.00 H new ATOM 240 N CYS A 17 78.779 12.733 -1.428 1.00 0.00 N ATOM 241 CA CYS A 17 78.541 13.758 -2.488 1.00 0.00 C ATOM 242 C CYS A 17 78.143 15.082 -1.836 1.00 0.00 C ATOM 243 O CYS A 17 77.829 15.127 -0.660 1.00 0.00 O ATOM 244 CB CYS A 17 77.390 13.218 -3.345 1.00 0.00 C ATOM 245 SG CYS A 17 77.827 11.602 -4.042 1.00 0.00 S ATOM 0 H CYS A 17 77.939 12.264 -1.090 1.00 0.00 H new ATOM 0 HA CYS A 17 79.431 13.938 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.488 13.128 -2.740 1.00 0.00 H new ATOM 0 HB3 CYS A 17 77.166 13.920 -4.149 1.00 0.00 H new ATOM 0 HG CYS A 17 76.840 11.159 -4.763 1.00 0.00 H new ATOM 251 N ASP A 18 78.153 16.158 -2.585 1.00 0.00 N ATOM 252 CA ASP A 18 77.823 17.497 -1.993 1.00 0.00 C ATOM 253 C ASP A 18 76.411 17.471 -1.389 1.00 0.00 C ATOM 254 O ASP A 18 75.666 16.530 -1.576 1.00 0.00 O ATOM 255 CB ASP A 18 77.908 18.498 -3.150 1.00 0.00 C ATOM 256 CG ASP A 18 79.340 18.548 -3.692 1.00 0.00 C ATOM 257 OD1 ASP A 18 80.259 18.316 -2.923 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.494 18.819 -4.873 1.00 0.00 O ATOM 0 H ASP A 18 78.375 16.169 -3.580 1.00 0.00 H new ATOM 0 HA ASP A 18 78.507 17.769 -1.189 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.219 18.209 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.604 19.488 -2.809 1.00 0.00 H new ATOM 263 N GLU A 19 76.048 18.500 -0.666 1.00 0.00 N ATOM 264 CA GLU A 19 74.839 18.423 0.224 1.00 0.00 C ATOM 265 C GLU A 19 73.588 17.993 -0.553 1.00 0.00 C ATOM 266 O GLU A 19 72.737 17.299 -0.023 1.00 0.00 O ATOM 267 CB GLU A 19 74.654 19.838 0.778 1.00 0.00 C ATOM 268 CG GLU A 19 75.845 20.201 1.672 1.00 0.00 C ATOM 269 CD GLU A 19 75.647 21.594 2.291 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.849 22.358 1.767 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.301 21.872 3.282 1.00 0.00 O ATOM 0 H GLU A 19 76.536 19.396 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 19 74.980 17.681 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.571 20.552 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.727 19.898 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.955 19.458 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.765 20.183 1.088 1.00 0.00 H new ATOM 278 N VAL A 20 73.468 18.395 -1.794 1.00 0.00 N ATOM 279 CA VAL A 20 72.224 18.081 -2.571 1.00 0.00 C ATOM 280 C VAL A 20 72.212 16.601 -2.986 1.00 0.00 C ATOM 281 O VAL A 20 71.163 16.022 -3.200 1.00 0.00 O ATOM 282 CB VAL A 20 72.275 18.998 -3.802 1.00 0.00 C ATOM 283 CG1 VAL A 20 71.045 18.759 -4.684 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.291 20.461 -3.350 1.00 0.00 C ATOM 0 H VAL A 20 74.174 18.926 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 20 71.320 18.247 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 20 73.178 18.777 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 71.089 19.413 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 20 71.029 17.720 -5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 20 70.141 18.974 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.327 21.111 -4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.389 20.674 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 20 73.168 20.640 -2.728 1.00 0.00 H new ATOM 294 N LEU A 21 73.367 15.991 -3.099 1.00 0.00 N ATOM 295 CA LEU A 21 73.436 14.561 -3.533 1.00 0.00 C ATOM 296 C LEU A 21 73.400 13.601 -2.330 1.00 0.00 C ATOM 297 O LEU A 21 73.177 12.414 -2.492 1.00 0.00 O ATOM 298 CB LEU A 21 74.770 14.461 -4.262 1.00 0.00 C ATOM 299 CG LEU A 21 74.712 15.277 -5.555 1.00 0.00 C ATOM 300 CD1 LEU A 21 76.093 15.290 -6.213 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.701 14.643 -6.515 1.00 0.00 C ATOM 0 H LEU A 21 74.270 16.425 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 21 72.588 14.280 -4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.573 14.829 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.995 13.419 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 21 74.407 16.298 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 21 76.052 15.871 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.816 15.739 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.397 14.268 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.660 15.224 -7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 21 74.007 13.622 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.716 14.631 -6.049 1.00 0.00 H new ATOM 313 N GLY A 22 73.617 14.098 -1.132 1.00 0.00 N ATOM 314 CA GLY A 22 73.585 13.214 0.076 1.00 0.00 C ATOM 315 C GLY A 22 74.725 12.192 0.020 1.00 0.00 C ATOM 316 O GLY A 22 75.736 12.406 -0.627 1.00 0.00 O ATOM 0 H GLY A 22 73.815 15.080 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.674 13.818 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.627 12.697 0.131 1.00 0.00 H new ATOM 320 N VAL A 23 74.568 11.081 0.700 1.00 0.00 N ATOM 321 CA VAL A 23 75.678 10.076 0.782 1.00 0.00 C ATOM 322 C VAL A 23 75.133 8.668 0.531 1.00 0.00 C ATOM 323 O VAL A 23 74.055 8.327 0.988 1.00 0.00 O ATOM 324 CB VAL A 23 76.227 10.176 2.213 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.435 9.245 2.362 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.658 11.617 2.514 1.00 0.00 C ATOM 0 H VAL A 23 73.718 10.826 1.203 1.00 0.00 H new ATOM 0 HA VAL A 23 76.450 10.269 0.037 1.00 0.00 H new ATOM 0 HB VAL A 23 75.445 9.883 2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.825 9.315 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.130 8.218 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.210 9.539 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.045 11.676 3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.435 11.919 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.800 12.282 2.413 1.00 0.00 H new ATOM 336 N PHE A 24 75.870 7.851 -0.187 1.00 0.00 N ATOM 337 CA PHE A 24 75.449 6.429 -0.375 1.00 0.00 C ATOM 338 C PHE A 24 76.618 5.482 -0.094 1.00 0.00 C ATOM 339 O PHE A 24 77.769 5.854 -0.205 1.00 0.00 O ATOM 340 CB PHE A 24 74.996 6.305 -1.834 1.00 0.00 C ATOM 341 CG PHE A 24 76.092 6.525 -2.853 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.877 5.413 -3.309 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.351 7.841 -3.363 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.917 5.617 -4.277 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.392 8.041 -4.328 1.00 0.00 C ATOM 346 CZ PHE A 24 78.174 6.931 -4.785 1.00 0.00 C ATOM 0 H PHE A 24 76.742 8.109 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 24 74.647 6.160 0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.570 5.313 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.199 7.025 -2.016 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.685 4.423 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.763 8.679 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.506 4.780 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.587 9.031 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.957 7.085 -5.512 1.00 0.00 H new ATOM 356 N GLN A 25 76.321 4.261 0.272 1.00 0.00 N ATOM 357 CA GLN A 25 77.397 3.266 0.568 1.00 0.00 C ATOM 358 C GLN A 25 77.032 1.916 -0.055 1.00 0.00 C ATOM 359 O GLN A 25 75.870 1.558 -0.128 1.00 0.00 O ATOM 360 CB GLN A 25 77.436 3.166 2.095 1.00 0.00 C ATOM 361 CG GLN A 25 77.781 4.537 2.690 1.00 0.00 C ATOM 362 CD GLN A 25 77.801 4.464 4.222 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.542 3.428 4.806 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.095 5.537 4.905 1.00 0.00 N ATOM 0 H GLN A 25 75.370 3.907 0.379 1.00 0.00 H new ATOM 0 HA GLN A 25 78.365 3.558 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.471 2.827 2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.176 2.428 2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.753 4.866 2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.050 5.277 2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.313 6.407 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.107 5.505 5.924 1.00 0.00 H new ATOM 373 N GLY A 26 78.014 1.170 -0.502 1.00 0.00 N ATOM 374 CA GLY A 26 77.723 -0.121 -1.198 1.00 0.00 C ATOM 375 C GLY A 26 79.032 -0.835 -1.538 1.00 0.00 C ATOM 376 O GLY A 26 80.107 -0.273 -1.413 1.00 0.00 O ATOM 0 H GLY A 26 79.004 1.400 -0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.107 -0.756 -0.562 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.154 0.067 -2.108 1.00 0.00 H new ATOM 380 N LEU A 27 78.948 -2.073 -1.961 1.00 0.00 N ATOM 381 CA LEU A 27 80.154 -2.765 -2.506 1.00 0.00 C ATOM 382 C LEU A 27 80.252 -2.524 -4.014 1.00 0.00 C ATOM 383 O LEU A 27 79.280 -2.639 -4.736 1.00 0.00 O ATOM 384 CB LEU A 27 79.935 -4.250 -2.213 1.00 0.00 C ATOM 385 CG LEU A 27 80.040 -4.495 -0.707 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.479 -5.879 -0.374 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.512 -4.430 -0.284 1.00 0.00 C ATOM 0 H LEU A 27 78.095 -2.633 -1.952 1.00 0.00 H new ATOM 0 HA LEU A 27 81.079 -2.400 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.956 -4.562 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.676 -4.849 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 27 79.471 -3.733 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.554 -6.053 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.433 -5.931 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.049 -6.640 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.590 -4.604 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.078 -5.193 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.916 -3.446 -0.522 1.00 0.00 H new ATOM 399 N ILE A 28 81.426 -2.192 -4.484 1.00 0.00 N ATOM 400 CA ILE A 28 81.590 -1.802 -5.921 1.00 0.00 C ATOM 401 C ILE A 28 81.324 -3.003 -6.837 1.00 0.00 C ATOM 402 O ILE A 28 81.759 -4.108 -6.575 1.00 0.00 O ATOM 403 CB ILE A 28 83.048 -1.325 -6.041 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.261 -0.113 -5.120 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.366 -0.931 -7.492 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.737 0.298 -5.134 1.00 0.00 C ATOM 0 H ILE A 28 82.284 -2.173 -3.933 1.00 0.00 H new ATOM 0 HA ILE A 28 80.886 -1.026 -6.222 1.00 0.00 H new ATOM 0 HB ILE A 28 83.713 -2.137 -5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.639 0.719 -5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.952 -0.358 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.401 -0.596 -7.560 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.220 -1.793 -8.143 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.702 -0.124 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.882 1.157 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.349 -0.533 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.032 0.562 -6.150 1.00 0.00 H new ATOM 418 N LYS A 29 80.607 -2.780 -7.911 1.00 0.00 N ATOM 419 CA LYS A 29 80.435 -3.843 -8.945 1.00 0.00 C ATOM 420 C LYS A 29 81.241 -3.487 -10.197 1.00 0.00 C ATOM 421 O LYS A 29 81.684 -4.359 -10.923 1.00 0.00 O ATOM 422 CB LYS A 29 78.939 -3.864 -9.261 1.00 0.00 C ATOM 423 CG LYS A 29 78.647 -4.988 -10.260 1.00 0.00 C ATOM 424 CD LYS A 29 77.175 -4.934 -10.677 1.00 0.00 C ATOM 425 CE LYS A 29 76.849 -6.146 -11.553 1.00 0.00 C ATOM 426 NZ LYS A 29 75.368 -6.118 -11.711 1.00 0.00 N ATOM 0 H LYS A 29 80.131 -1.901 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 29 80.786 -4.815 -8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.365 -4.016 -8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.630 -2.904 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.288 -4.885 -11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.873 -5.955 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.536 -4.927 -9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 29 76.974 -4.012 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 29 77.351 -6.082 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.179 -7.073 -11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 75.067 -6.920 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 74.918 -6.187 -10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.084 -5.227 -12.167 1.00 0.00 H new ATOM 440 N GLN A 30 81.433 -2.213 -10.453 1.00 0.00 N ATOM 441 CA GLN A 30 82.196 -1.793 -11.668 1.00 0.00 C ATOM 442 C GLN A 30 82.742 -0.378 -11.480 1.00 0.00 C ATOM 443 O GLN A 30 82.128 0.448 -10.831 1.00 0.00 O ATOM 444 CB GLN A 30 81.183 -1.835 -12.812 1.00 0.00 C ATOM 445 CG GLN A 30 81.894 -1.538 -14.136 1.00 0.00 C ATOM 446 CD GLN A 30 80.894 -1.599 -15.298 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.769 -2.034 -15.135 1.00 0.00 O ATOM 448 NE2 GLN A 30 81.260 -1.176 -16.477 1.00 0.00 N ATOM 0 H GLN A 30 81.093 -1.447 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 30 83.051 -2.440 -11.864 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.707 -2.815 -12.854 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.393 -1.104 -12.639 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.357 -0.552 -14.096 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.695 -2.260 -14.297 1.00 0.00 H new ATOM 0 HE21 GLN A 30 82.202 -0.811 -16.618 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.604 -1.211 -17.257 1.00 0.00 H new ATOM 457 N ILE A 31 83.890 -0.095 -12.043 1.00 0.00 N ATOM 458 CA ILE A 31 84.503 1.258 -11.875 1.00 0.00 C ATOM 459 C ILE A 31 85.088 1.735 -13.206 1.00 0.00 C ATOM 460 O ILE A 31 85.722 0.986 -13.924 1.00 0.00 O ATOM 461 CB ILE A 31 85.606 1.093 -10.818 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.991 0.584 -9.506 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.289 2.444 -10.570 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.094 0.318 -8.474 1.00 0.00 C ATOM 0 H ILE A 31 84.431 -0.745 -12.614 1.00 0.00 H new ATOM 0 HA ILE A 31 83.770 2.002 -11.562 1.00 0.00 H new ATOM 0 HB ILE A 31 86.343 0.374 -11.177 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.287 1.319 -9.116 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.427 -0.330 -9.691 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.071 2.324 -9.820 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.730 2.805 -11.499 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.552 3.164 -10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.646 -0.042 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.781 -0.434 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.639 1.241 -8.278 1.00 0.00 H new ATOM 476 N SER A 32 84.872 2.983 -13.531 1.00 0.00 N ATOM 477 CA SER A 32 85.495 3.574 -14.750 1.00 0.00 C ATOM 478 C SER A 32 85.815 5.047 -14.495 1.00 0.00 C ATOM 479 O SER A 32 85.236 5.671 -13.628 1.00 0.00 O ATOM 480 CB SER A 32 84.445 3.432 -15.850 1.00 0.00 C ATOM 481 OG SER A 32 83.321 4.241 -15.534 1.00 0.00 O ATOM 0 H SER A 32 84.284 3.624 -12.997 1.00 0.00 H new ATOM 0 HA SER A 32 86.427 3.081 -15.025 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.865 3.732 -16.810 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.142 2.390 -15.946 1.00 0.00 H new ATOM 0 HG SER A 32 82.576 4.012 -16.128 1.00 0.00 H new ATOM 487 N ALA A 33 86.724 5.606 -15.251 1.00 0.00 N ATOM 488 CA ALA A 33 87.234 6.984 -14.939 1.00 0.00 C ATOM 489 C ALA A 33 86.085 8.000 -14.855 1.00 0.00 C ATOM 490 O ALA A 33 86.210 9.027 -14.212 1.00 0.00 O ATOM 491 CB ALA A 33 88.172 7.340 -16.095 1.00 0.00 C ATOM 0 H ALA A 33 87.139 5.170 -16.074 1.00 0.00 H new ATOM 0 HA ALA A 33 87.739 7.009 -13.973 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.584 8.336 -15.936 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.984 6.615 -16.141 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.617 7.323 -17.033 1.00 0.00 H new ATOM 497 N GLU A 34 84.973 7.724 -15.497 1.00 0.00 N ATOM 498 CA GLU A 34 83.870 8.733 -15.563 1.00 0.00 C ATOM 499 C GLU A 34 82.863 8.530 -14.422 1.00 0.00 C ATOM 500 O GLU A 34 82.189 9.461 -14.018 1.00 0.00 O ATOM 501 CB GLU A 34 83.202 8.503 -16.918 1.00 0.00 C ATOM 502 CG GLU A 34 84.206 8.798 -18.041 1.00 0.00 C ATOM 503 CD GLU A 34 83.534 8.644 -19.414 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.497 8.000 -19.492 1.00 0.00 O ATOM 505 OE2 GLU A 34 84.073 9.176 -20.371 1.00 0.00 O ATOM 0 H GLU A 34 84.783 6.844 -15.977 1.00 0.00 H new ATOM 0 HA GLU A 34 84.248 9.750 -15.457 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.850 7.474 -16.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.328 9.147 -17.019 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.597 9.810 -17.932 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.055 8.119 -17.966 1.00 0.00 H new ATOM 512 N GLU A 35 82.754 7.329 -13.900 1.00 0.00 N ATOM 513 CA GLU A 35 81.669 7.033 -12.911 1.00 0.00 C ATOM 514 C GLU A 35 82.044 5.842 -12.019 1.00 0.00 C ATOM 515 O GLU A 35 82.833 4.996 -12.395 1.00 0.00 O ATOM 516 CB GLU A 35 80.429 6.718 -13.757 1.00 0.00 C ATOM 517 CG GLU A 35 80.704 5.515 -14.668 1.00 0.00 C ATOM 518 CD GLU A 35 79.508 5.294 -15.596 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.471 4.879 -15.106 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.650 5.546 -16.781 1.00 0.00 O ATOM 0 H GLU A 35 83.368 6.544 -14.116 1.00 0.00 H new ATOM 0 HA GLU A 35 81.497 7.872 -12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.580 6.505 -13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.160 7.586 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.606 5.688 -15.255 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.881 4.623 -14.067 1.00 0.00 H new ATOM 527 N ILE A 36 81.479 5.779 -10.839 1.00 0.00 N ATOM 528 CA ILE A 36 81.648 4.569 -9.974 1.00 0.00 C ATOM 529 C ILE A 36 80.289 3.883 -9.782 1.00 0.00 C ATOM 530 O ILE A 36 79.284 4.546 -9.595 1.00 0.00 O ATOM 531 CB ILE A 36 82.170 5.099 -8.630 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.471 5.902 -8.831 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.435 3.923 -7.686 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.549 5.028 -9.487 1.00 0.00 C ATOM 0 H ILE A 36 80.904 6.518 -10.435 1.00 0.00 H new ATOM 0 HA ILE A 36 82.329 3.839 -10.411 1.00 0.00 H new ATOM 0 HB ILE A 36 81.417 5.758 -8.198 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.274 6.774 -9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.829 6.271 -7.870 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.805 4.298 -6.732 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.509 3.371 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.179 3.261 -8.129 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.459 5.612 -9.621 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.759 4.169 -8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.195 4.681 -10.458 1.00 0.00 H new ATOM 546 N THR A 37 80.249 2.568 -9.828 1.00 0.00 N ATOM 547 CA THR A 37 78.942 1.851 -9.703 1.00 0.00 C ATOM 548 C THR A 37 79.008 0.808 -8.579 1.00 0.00 C ATOM 549 O THR A 37 79.933 0.018 -8.514 1.00 0.00 O ATOM 550 CB THR A 37 78.740 1.165 -11.058 1.00 0.00 C ATOM 551 OG1 THR A 37 78.763 2.144 -12.088 1.00 0.00 O ATOM 552 CG2 THR A 37 77.396 0.431 -11.078 1.00 0.00 C ATOM 0 H THR A 37 81.064 1.966 -9.946 1.00 0.00 H new ATOM 0 HA THR A 37 78.123 2.527 -9.457 1.00 0.00 H new ATOM 0 HB THR A 37 79.541 0.443 -11.219 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.636 1.708 -12.956 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.261 -0.054 -12.045 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.381 -0.321 -10.289 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.589 1.145 -10.914 1.00 0.00 H new ATOM 560 N ILE A 38 78.029 0.799 -7.704 1.00 0.00 N ATOM 561 CA ILE A 38 78.005 -0.209 -6.594 1.00 0.00 C ATOM 562 C ILE A 38 76.599 -0.814 -6.454 1.00 0.00 C ATOM 563 O ILE A 38 75.659 -0.370 -7.084 1.00 0.00 O ATOM 564 CB ILE A 38 78.412 0.548 -5.317 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.406 1.677 -5.030 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.827 1.136 -5.469 1.00 0.00 C ATOM 567 CD1 ILE A 38 77.588 2.181 -3.592 1.00 0.00 C ATOM 0 H ILE A 38 77.243 1.449 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 38 78.687 -1.037 -6.788 1.00 0.00 H new ATOM 0 HB ILE A 38 78.411 -0.153 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.554 2.496 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.388 1.314 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 38 80.100 1.668 -4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.539 0.330 -5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.845 1.827 -6.312 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.874 2.980 -3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 38 77.418 1.361 -2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 38 78.602 2.561 -3.465 1.00 0.00 H new ATOM 579 N VAL A 39 76.456 -1.820 -5.627 1.00 0.00 N ATOM 580 CA VAL A 39 75.163 -2.577 -5.554 1.00 0.00 C ATOM 581 C VAL A 39 74.629 -2.613 -4.117 1.00 0.00 C ATOM 582 O VAL A 39 75.345 -2.339 -3.176 1.00 0.00 O ATOM 583 CB VAL A 39 75.480 -3.987 -6.054 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.953 -3.906 -7.504 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.581 -4.617 -5.192 1.00 0.00 C ATOM 0 H VAL A 39 77.183 -2.153 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 39 74.388 -2.103 -6.157 1.00 0.00 H new ATOM 0 HB VAL A 39 74.584 -4.604 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.181 -4.907 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.168 -3.466 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.848 -3.286 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.799 -5.621 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.482 -4.006 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.245 -4.672 -4.156 1.00 0.00 H new ATOM 595 N ARG A 40 73.366 -2.946 -3.952 1.00 0.00 N ATOM 596 CA ARG A 40 72.699 -2.857 -2.607 1.00 0.00 C ATOM 597 C ARG A 40 72.820 -1.437 -2.052 1.00 0.00 C ATOM 598 O ARG A 40 73.491 -1.195 -1.066 1.00 0.00 O ATOM 599 CB ARG A 40 73.412 -3.875 -1.706 1.00 0.00 C ATOM 600 CG ARG A 40 73.300 -5.280 -2.323 1.00 0.00 C ATOM 601 CD ARG A 40 74.670 -5.963 -2.310 1.00 0.00 C ATOM 602 NE ARG A 40 75.006 -6.132 -0.862 1.00 0.00 N ATOM 603 CZ ARG A 40 74.479 -7.101 -0.133 1.00 0.00 C ATOM 604 NH1 ARG A 40 73.632 -7.971 -0.638 1.00 0.00 N ATOM 605 NH2 ARG A 40 74.810 -7.196 1.126 1.00 0.00 N ATOM 0 H ARG A 40 72.761 -3.280 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 40 71.634 -3.079 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.460 -3.601 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 40 72.968 -3.868 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.581 -5.877 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 40 72.928 -5.210 -3.345 1.00 0.00 H new ATOM 0 HD2 ARG A 40 74.636 -6.925 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 40 75.418 -5.356 -2.820 1.00 0.00 H new ATOM 0 HE ARG A 40 75.659 -5.482 -0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 40 73.363 -7.910 -1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 40 73.244 -8.707 -0.048 1.00 0.00 H new ATOM 0 HH21 ARG A 40 75.466 -6.529 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 40 74.413 -7.937 1.703 1.00 0.00 H new ATOM 619 N ALA A 41 72.165 -0.503 -2.690 1.00 0.00 N ATOM 620 CA ALA A 41 72.349 0.937 -2.335 1.00 0.00 C ATOM 621 C ALA A 41 71.827 1.232 -0.927 1.00 0.00 C ATOM 622 O ALA A 41 70.672 1.000 -0.610 1.00 0.00 O ATOM 623 CB ALA A 41 71.532 1.714 -3.370 1.00 0.00 C ATOM 0 H ALA A 41 71.505 -0.677 -3.448 1.00 0.00 H new ATOM 0 HA ALA A 41 73.403 1.215 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.618 2.783 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 41 71.910 1.497 -4.369 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.485 1.417 -3.305 1.00 0.00 H new ATOM 629 N PHE A 42 72.680 1.746 -0.083 1.00 0.00 N ATOM 630 CA PHE A 42 72.217 2.321 1.214 1.00 0.00 C ATOM 631 C PHE A 42 72.473 3.828 1.208 1.00 0.00 C ATOM 632 O PHE A 42 73.576 4.264 0.946 1.00 0.00 O ATOM 633 CB PHE A 42 73.062 1.633 2.291 1.00 0.00 C ATOM 634 CG PHE A 42 72.454 0.356 2.837 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.540 -0.875 2.098 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.792 0.379 4.110 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.963 -2.075 2.633 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.218 -0.822 4.643 1.00 0.00 C ATOM 639 CZ PHE A 42 71.302 -2.049 3.905 1.00 0.00 C ATOM 0 H PHE A 42 73.687 1.793 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 42 71.153 2.164 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.044 1.406 1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.217 2.329 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.039 -0.896 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.726 1.302 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.027 -2.999 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.721 -0.803 5.602 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.868 -2.952 4.307 1.00 0.00 H new ATOM 649 N ARG A 43 71.470 4.623 1.492 1.00 0.00 N ATOM 650 CA ARG A 43 71.650 6.106 1.437 1.00 0.00 C ATOM 651 C ARG A 43 71.030 6.763 2.667 1.00 0.00 C ATOM 652 O ARG A 43 70.032 6.307 3.191 1.00 0.00 O ATOM 653 CB ARG A 43 70.941 6.562 0.161 1.00 0.00 C ATOM 654 CG ARG A 43 71.647 5.954 -1.053 1.00 0.00 C ATOM 655 CD ARG A 43 71.288 6.743 -2.320 1.00 0.00 C ATOM 656 NE ARG A 43 69.795 6.670 -2.439 1.00 0.00 N ATOM 657 CZ ARG A 43 69.131 7.403 -3.315 1.00 0.00 C ATOM 658 NH1 ARG A 43 69.741 8.237 -4.131 1.00 0.00 N ATOM 659 NH2 ARG A 43 67.832 7.297 -3.374 1.00 0.00 N ATOM 0 H ARG A 43 70.537 4.309 1.759 1.00 0.00 H new ATOM 0 HA ARG A 43 72.703 6.386 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 43 69.896 6.253 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 43 70.950 7.650 0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.726 5.967 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.354 4.911 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.624 7.777 -2.245 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.771 6.314 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 43 69.278 6.038 -1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.756 8.332 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.198 8.788 -4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 43 67.344 6.655 -2.749 1.00 0.00 H new ATOM 0 HH22 ARG A 43 67.305 7.856 -4.045 1.00 0.00 H new ATOM 673 N ASN A 44 71.625 7.832 3.137 1.00 0.00 N ATOM 674 CA ASN A 44 71.092 8.546 4.351 1.00 0.00 C ATOM 675 C ASN A 44 70.908 7.569 5.524 1.00 0.00 C ATOM 676 O ASN A 44 69.940 7.639 6.257 1.00 0.00 O ATOM 677 CB ASN A 44 69.744 9.144 3.927 1.00 0.00 C ATOM 678 CG ASN A 44 69.936 10.071 2.719 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.140 10.059 1.801 1.00 0.00 O ATOM 680 ND2 ASN A 44 70.963 10.880 2.678 1.00 0.00 N ATOM 0 H ASN A 44 72.464 8.248 2.732 1.00 0.00 H new ATOM 0 HA ASN A 44 71.782 9.317 4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.046 8.346 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.307 9.700 4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.094 11.498 1.877 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.633 10.893 3.447 1.00 0.00 H new ATOM 687 N GLY A 45 71.838 6.664 5.696 1.00 0.00 N ATOM 688 CA GLY A 45 71.815 5.760 6.884 1.00 0.00 C ATOM 689 C GLY A 45 70.552 4.890 6.894 1.00 0.00 C ATOM 690 O GLY A 45 70.148 4.400 7.933 1.00 0.00 O ATOM 0 H GLY A 45 72.619 6.512 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.699 5.122 6.876 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.858 6.354 7.797 1.00 0.00 H new ATOM 694 N VAL A 46 69.926 4.690 5.754 1.00 0.00 N ATOM 695 CA VAL A 46 68.784 3.725 5.686 1.00 0.00 C ATOM 696 C VAL A 46 68.814 2.948 4.349 1.00 0.00 C ATOM 697 O VAL A 46 69.271 3.470 3.352 1.00 0.00 O ATOM 698 CB VAL A 46 67.522 4.593 5.820 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.256 3.749 5.602 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.484 5.178 7.228 1.00 0.00 C ATOM 0 H VAL A 46 70.157 5.152 4.874 1.00 0.00 H new ATOM 0 HA VAL A 46 68.825 2.968 6.469 1.00 0.00 H new ATOM 0 HB VAL A 46 67.552 5.383 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.375 4.383 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.278 3.311 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.216 2.953 6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.594 5.797 7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.458 4.369 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.373 5.787 7.393 1.00 0.00 H new ATOM 710 N PRO A 47 68.324 1.715 4.365 1.00 0.00 N ATOM 711 CA PRO A 47 68.352 0.882 3.138 1.00 0.00 C ATOM 712 C PRO A 47 67.286 1.364 2.148 1.00 0.00 C ATOM 713 O PRO A 47 66.187 1.715 2.540 1.00 0.00 O ATOM 714 CB PRO A 47 68.034 -0.539 3.626 1.00 0.00 C ATOM 715 CG PRO A 47 67.862 -0.457 5.115 1.00 0.00 C ATOM 716 CD PRO A 47 67.704 0.992 5.487 1.00 0.00 C ATOM 0 HA PRO A 47 69.309 0.933 2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.128 -0.917 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.839 -1.226 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.989 -1.028 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.725 -0.889 5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.655 1.262 5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.200 1.219 6.431 1.00 0.00 H new ATOM 724 N LEU A 48 67.599 1.387 0.872 1.00 0.00 N ATOM 725 CA LEU A 48 66.547 1.681 -0.150 1.00 0.00 C ATOM 726 C LEU A 48 65.685 0.440 -0.394 1.00 0.00 C ATOM 727 O LEU A 48 66.144 -0.680 -0.266 1.00 0.00 O ATOM 728 CB LEU A 48 67.304 2.075 -1.424 1.00 0.00 C ATOM 729 CG LEU A 48 68.223 3.281 -1.154 1.00 0.00 C ATOM 730 CD1 LEU A 48 68.961 3.661 -2.446 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.391 4.482 -0.671 1.00 0.00 C ATOM 0 H LEU A 48 68.532 1.216 0.498 1.00 0.00 H new ATOM 0 HA LEU A 48 65.876 2.476 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 48 67.896 1.231 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.595 2.321 -2.214 1.00 0.00 H new ATOM 0 HG LEU A 48 68.944 3.012 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 48 69.612 4.515 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 48 69.561 2.816 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.235 3.923 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.050 5.329 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 48 66.663 4.752 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.869 4.217 0.249 1.00 0.00 H new ATOM 743 N ARG A 49 64.436 0.635 -0.747 1.00 0.00 N ATOM 744 CA ARG A 49 63.507 -0.527 -0.952 1.00 0.00 C ATOM 745 C ARG A 49 64.074 -1.501 -1.991 1.00 0.00 C ATOM 746 O ARG A 49 63.938 -2.703 -1.862 1.00 0.00 O ATOM 747 CB ARG A 49 62.199 0.086 -1.458 1.00 0.00 C ATOM 748 CG ARG A 49 61.139 -1.011 -1.592 1.00 0.00 C ATOM 749 CD ARG A 49 59.871 -0.424 -2.221 1.00 0.00 C ATOM 750 NE ARG A 49 59.411 0.634 -1.266 1.00 0.00 N ATOM 751 CZ ARG A 49 58.620 1.621 -1.648 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.184 1.727 -2.885 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.256 2.517 -0.770 1.00 0.00 N ATOM 0 H ARG A 49 64.017 1.552 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 49 63.366 -1.095 -0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 49 61.855 0.856 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.361 0.570 -2.421 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.520 -1.826 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 49 60.910 -1.432 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.078 -0.003 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 49 59.108 -1.190 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 49 59.717 0.591 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.456 1.034 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 49 57.574 2.502 -3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 49 58.582 2.448 0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 49 57.646 3.285 -1.048 1.00 0.00 H new ATOM 767 N LYS A 50 64.707 -0.986 -3.018 1.00 0.00 N ATOM 768 CA LYS A 50 65.252 -1.871 -4.092 1.00 0.00 C ATOM 769 C LYS A 50 66.737 -2.158 -3.845 1.00 0.00 C ATOM 770 O LYS A 50 67.603 -1.456 -4.335 1.00 0.00 O ATOM 771 CB LYS A 50 65.066 -1.081 -5.388 1.00 0.00 C ATOM 772 CG LYS A 50 63.573 -0.871 -5.645 1.00 0.00 C ATOM 773 CD LYS A 50 63.378 -0.180 -6.996 1.00 0.00 C ATOM 774 CE LYS A 50 61.896 0.141 -7.196 1.00 0.00 C ATOM 775 NZ LYS A 50 61.674 1.411 -6.451 1.00 0.00 N ATOM 0 H LYS A 50 64.869 0.011 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 50 64.746 -2.836 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.573 -0.119 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.518 -1.618 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.054 -1.829 -5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.138 -0.266 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.968 0.736 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.733 -0.824 -7.800 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.656 0.256 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.263 -0.659 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.782 1.350 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.461 1.567 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.624 2.203 -7.123 1.00 0.00 H new ATOM 789 N GLN A 51 67.030 -3.186 -3.087 1.00 0.00 N ATOM 790 CA GLN A 51 68.458 -3.575 -2.853 1.00 0.00 C ATOM 791 C GLN A 51 69.120 -3.981 -4.173 1.00 0.00 C ATOM 792 O GLN A 51 70.309 -3.802 -4.361 1.00 0.00 O ATOM 793 CB GLN A 51 68.403 -4.769 -1.895 1.00 0.00 C ATOM 794 CG GLN A 51 67.821 -4.322 -0.553 1.00 0.00 C ATOM 795 CD GLN A 51 67.711 -5.523 0.390 1.00 0.00 C ATOM 796 OE1 GLN A 51 67.686 -6.658 -0.047 1.00 0.00 O ATOM 797 NE2 GLN A 51 67.645 -5.321 1.678 1.00 0.00 N ATOM 0 H GLN A 51 66.341 -3.775 -2.619 1.00 0.00 H new ATOM 0 HA GLN A 51 69.042 -2.752 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.791 -5.563 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.403 -5.179 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.456 -3.556 -0.108 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.838 -3.875 -0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 51 67.666 -4.370 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 51 67.573 -6.114 2.316 1.00 0.00 H new ATOM 806 N ASN A 52 68.353 -4.525 -5.085 1.00 0.00 N ATOM 807 CA ASN A 52 68.937 -5.030 -6.369 1.00 0.00 C ATOM 808 C ASN A 52 69.370 -3.867 -7.271 1.00 0.00 C ATOM 809 O ASN A 52 70.216 -4.031 -8.132 1.00 0.00 O ATOM 810 CB ASN A 52 67.815 -5.830 -7.038 1.00 0.00 C ATOM 811 CG ASN A 52 67.412 -6.999 -6.138 1.00 0.00 C ATOM 812 OD1 ASN A 52 66.242 -7.222 -5.899 1.00 0.00 O ATOM 813 ND2 ASN A 52 68.339 -7.761 -5.624 1.00 0.00 N ATOM 0 H ASN A 52 67.344 -4.642 -4.996 1.00 0.00 H new ATOM 0 HA ASN A 52 69.826 -5.636 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.955 -5.186 -7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.148 -6.202 -8.007 1.00 0.00 H new ATOM 0 HD21 ASN A 52 68.081 -8.543 -5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 52 69.322 -7.574 -5.824 1.00 0.00 H new ATOM 820 N ALA A 53 68.802 -2.697 -7.082 1.00 0.00 N ATOM 821 CA ALA A 53 69.136 -1.543 -7.977 1.00 0.00 C ATOM 822 C ALA A 53 70.550 -1.036 -7.676 1.00 0.00 C ATOM 823 O ALA A 53 70.935 -0.891 -6.531 1.00 0.00 O ATOM 824 CB ALA A 53 68.098 -0.465 -7.661 1.00 0.00 C ATOM 0 H ALA A 53 68.123 -2.493 -6.348 1.00 0.00 H new ATOM 0 HA ALA A 53 69.113 -1.822 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.283 0.411 -8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 53 67.099 -0.851 -7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.171 -0.187 -6.610 1.00 0.00 H new ATOM 830 N GLU A 54 71.317 -0.766 -8.703 1.00 0.00 N ATOM 831 CA GLU A 54 72.720 -0.287 -8.500 1.00 0.00 C ATOM 832 C GLU A 54 72.764 1.247 -8.448 1.00 0.00 C ATOM 833 O GLU A 54 71.930 1.920 -9.024 1.00 0.00 O ATOM 834 CB GLU A 54 73.500 -0.816 -9.715 1.00 0.00 C ATOM 835 CG GLU A 54 72.920 -0.244 -11.023 1.00 0.00 C ATOM 836 CD GLU A 54 72.598 -1.382 -11.999 1.00 0.00 C ATOM 837 OE1 GLU A 54 72.225 -2.446 -11.535 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.732 -1.167 -13.192 1.00 0.00 O ATOM 0 H GLU A 54 71.031 -0.857 -9.678 1.00 0.00 H new ATOM 0 HA GLU A 54 73.143 -0.640 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.551 -0.542 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.455 -1.905 -9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 54 72.018 0.329 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.634 0.443 -11.477 1.00 0.00 H new ATOM 845 N VAL A 55 73.735 1.794 -7.758 1.00 0.00 N ATOM 846 CA VAL A 55 73.936 3.278 -7.772 1.00 0.00 C ATOM 847 C VAL A 55 75.094 3.617 -8.710 1.00 0.00 C ATOM 848 O VAL A 55 76.195 3.125 -8.536 1.00 0.00 O ATOM 849 CB VAL A 55 74.297 3.653 -6.326 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.532 5.168 -6.219 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.154 3.246 -5.390 1.00 0.00 C ATOM 0 H VAL A 55 74.399 1.275 -7.184 1.00 0.00 H new ATOM 0 HA VAL A 55 73.054 3.817 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 55 75.209 3.129 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.787 5.425 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.350 5.457 -6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.626 5.698 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.411 3.512 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.242 3.766 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.995 2.170 -5.456 1.00 0.00 H new ATOM 861 N VAL A 56 74.858 4.446 -9.697 1.00 0.00 N ATOM 862 CA VAL A 56 75.977 4.890 -10.585 1.00 0.00 C ATOM 863 C VAL A 56 76.068 6.413 -10.576 1.00 0.00 C ATOM 864 O VAL A 56 75.199 7.100 -11.080 1.00 0.00 O ATOM 865 CB VAL A 56 75.652 4.379 -11.991 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.836 4.690 -12.908 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.422 2.860 -11.962 1.00 0.00 C ATOM 0 H VAL A 56 73.942 4.833 -9.926 1.00 0.00 H new ATOM 0 HA VAL A 56 76.936 4.499 -10.245 1.00 0.00 H new ATOM 0 HB VAL A 56 74.748 4.867 -12.356 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.620 4.332 -13.915 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.003 5.767 -12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.729 4.193 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.192 2.508 -12.967 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.322 2.363 -11.601 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.589 2.631 -11.297 1.00 0.00 H new ATOM 877 N LEU A 57 77.118 6.935 -10.007 1.00 0.00 N ATOM 878 CA LEU A 57 77.231 8.412 -9.831 1.00 0.00 C ATOM 879 C LEU A 57 78.571 8.916 -10.373 1.00 0.00 C ATOM 880 O LEU A 57 79.592 8.271 -10.218 1.00 0.00 O ATOM 881 CB LEU A 57 77.095 8.615 -8.324 1.00 0.00 C ATOM 882 CG LEU A 57 75.605 8.607 -7.965 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.408 8.065 -6.553 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.065 10.038 -8.024 1.00 0.00 C ATOM 0 H LEU A 57 77.910 6.398 -9.653 1.00 0.00 H new ATOM 0 HA LEU A 57 76.475 8.974 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.618 7.824 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.551 9.559 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 57 75.073 7.972 -8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.346 8.064 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.794 7.047 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 57 75.943 8.696 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.005 10.038 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.609 10.662 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.196 10.435 -9.031 1.00 0.00 H new ATOM 896 N LYS A 58 78.568 10.062 -11.008 1.00 0.00 N ATOM 897 CA LYS A 58 79.823 10.585 -11.637 1.00 0.00 C ATOM 898 C LYS A 58 80.782 11.115 -10.568 1.00 0.00 C ATOM 899 O LYS A 58 80.370 11.729 -9.601 1.00 0.00 O ATOM 900 CB LYS A 58 79.368 11.725 -12.551 1.00 0.00 C ATOM 901 CG LYS A 58 78.484 11.165 -13.666 1.00 0.00 C ATOM 902 CD LYS A 58 78.125 12.283 -14.646 1.00 0.00 C ATOM 903 CE LYS A 58 77.142 11.750 -15.690 1.00 0.00 C ATOM 904 NZ LYS A 58 76.237 12.896 -15.984 1.00 0.00 N ATOM 0 H LYS A 58 77.749 10.660 -11.119 1.00 0.00 H new ATOM 0 HA LYS A 58 80.356 9.807 -12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.817 12.469 -11.975 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.234 12.230 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.005 10.363 -14.189 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.577 10.733 -13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.683 13.123 -14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.025 12.655 -15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.662 11.416 -16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.585 10.895 -15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 75.533 12.609 -16.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 75.751 13.187 -15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 76.794 13.693 -16.352 1.00 0.00 H new ATOM 918 N CYS A 59 82.060 10.880 -10.741 1.00 0.00 N ATOM 919 CA CYS A 59 83.080 11.430 -9.783 1.00 0.00 C ATOM 920 C CYS A 59 82.941 12.955 -9.648 1.00 0.00 C ATOM 921 O CYS A 59 83.203 13.519 -8.602 1.00 0.00 O ATOM 922 CB CYS A 59 84.448 11.061 -10.381 1.00 0.00 C ATOM 923 SG CYS A 59 84.631 11.763 -12.046 1.00 0.00 S ATOM 0 H CYS A 59 82.446 10.328 -11.507 1.00 0.00 H new ATOM 0 HA CYS A 59 82.951 11.018 -8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.244 11.431 -9.735 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.551 9.977 -10.425 1.00 0.00 H new ATOM 0 HG CYS A 59 85.794 11.439 -12.528 1.00 0.00 H new ATOM 929 N THR A 60 82.531 13.615 -10.704 1.00 0.00 N ATOM 930 CA THR A 60 82.387 15.108 -10.658 1.00 0.00 C ATOM 931 C THR A 60 81.297 15.506 -9.658 1.00 0.00 C ATOM 932 O THR A 60 81.319 16.595 -9.112 1.00 0.00 O ATOM 933 CB THR A 60 81.988 15.527 -12.078 1.00 0.00 C ATOM 934 OG1 THR A 60 80.755 14.910 -12.423 1.00 0.00 O ATOM 935 CG2 THR A 60 83.072 15.097 -13.070 1.00 0.00 C ATOM 0 H THR A 60 82.289 13.186 -11.597 1.00 0.00 H new ATOM 0 HA THR A 60 83.309 15.594 -10.338 1.00 0.00 H new ATOM 0 HB THR A 60 81.878 16.611 -12.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.497 15.178 -13.330 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.783 15.397 -14.077 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.016 15.573 -12.806 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.189 14.014 -13.034 1.00 0.00 H new ATOM 943 N ASP A 61 80.350 14.633 -9.416 1.00 0.00 N ATOM 944 CA ASP A 61 79.284 14.929 -8.410 1.00 0.00 C ATOM 945 C ASP A 61 79.730 14.474 -7.015 1.00 0.00 C ATOM 946 O ASP A 61 79.246 14.970 -6.012 1.00 0.00 O ATOM 947 CB ASP A 61 78.062 14.133 -8.877 1.00 0.00 C ATOM 948 CG ASP A 61 77.600 14.641 -10.247 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.797 15.814 -10.525 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.057 13.846 -10.997 1.00 0.00 O ATOM 0 H ASP A 61 80.270 13.725 -9.874 1.00 0.00 H new ATOM 0 HA ASP A 61 79.068 15.995 -8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.309 13.073 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.254 14.231 -8.152 1.00 0.00 H new ATOM 955 N ILE A 62 80.646 13.536 -6.944 1.00 0.00 N ATOM 956 CA ILE A 62 81.173 13.086 -5.618 1.00 0.00 C ATOM 957 C ILE A 62 82.243 14.065 -5.123 1.00 0.00 C ATOM 958 O ILE A 62 82.993 14.622 -5.904 1.00 0.00 O ATOM 959 CB ILE A 62 81.784 11.702 -5.877 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.700 10.752 -6.403 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.357 11.138 -4.572 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.345 9.465 -6.929 1.00 0.00 C ATOM 0 H ILE A 62 81.052 13.062 -7.751 1.00 0.00 H new ATOM 0 HA ILE A 62 80.396 13.046 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 62 82.580 11.795 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.994 10.516 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.134 11.237 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.790 10.155 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.129 11.808 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.560 11.049 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.570 8.795 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.034 9.708 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.891 8.976 -6.122 1.00 0.00 H new ATOM 974 N ARG A 63 82.313 14.276 -3.830 1.00 0.00 N ATOM 975 CA ARG A 63 83.347 15.193 -3.267 1.00 0.00 C ATOM 976 C ARG A 63 84.516 14.384 -2.693 1.00 0.00 C ATOM 977 O ARG A 63 85.653 14.819 -2.737 1.00 0.00 O ATOM 978 CB ARG A 63 82.633 15.972 -2.162 1.00 0.00 C ATOM 979 CG ARG A 63 83.586 17.017 -1.578 1.00 0.00 C ATOM 980 CD ARG A 63 83.790 18.145 -2.592 1.00 0.00 C ATOM 981 NE ARG A 63 84.784 19.063 -1.953 1.00 0.00 N ATOM 982 CZ ARG A 63 84.450 19.867 -0.957 1.00 0.00 C ATOM 983 NH1 ARG A 63 83.228 19.906 -0.473 1.00 0.00 N ATOM 984 NH2 ARG A 63 85.361 20.644 -0.439 1.00 0.00 N ATOM 0 H ARG A 63 81.695 13.849 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 63 83.765 15.858 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.743 16.459 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.299 15.291 -1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 63 83.179 17.417 -0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.543 16.556 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 63 84.162 17.760 -3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.853 18.662 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 63 85.745 19.069 -2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 63 82.504 19.304 -0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 63 83.004 20.538 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.314 20.625 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.120 21.270 0.329 1.00 0.00 H new ATOM 998 N SER A 64 84.245 13.215 -2.155 1.00 0.00 N ATOM 999 CA SER A 64 85.357 12.357 -1.630 1.00 0.00 C ATOM 1000 C SER A 64 84.890 10.909 -1.437 1.00 0.00 C ATOM 1001 O SER A 64 83.860 10.654 -0.843 1.00 0.00 O ATOM 1002 CB SER A 64 85.737 12.981 -0.289 1.00 0.00 C ATOM 1003 OG SER A 64 86.880 12.315 0.232 1.00 0.00 O ATOM 0 H SER A 64 83.309 12.821 -2.058 1.00 0.00 H new ATOM 0 HA SER A 64 86.199 12.318 -2.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.947 14.043 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.905 12.902 0.411 1.00 0.00 H new ATOM 0 HG SER A 64 87.128 12.714 1.092 1.00 0.00 H new ATOM 1009 N ILE A 65 85.647 9.964 -1.942 1.00 0.00 N ATOM 1010 CA ILE A 65 85.331 8.521 -1.694 1.00 0.00 C ATOM 1011 C ILE A 65 86.241 7.962 -0.593 1.00 0.00 C ATOM 1012 O ILE A 65 87.385 8.359 -0.466 1.00 0.00 O ATOM 1013 CB ILE A 65 85.618 7.801 -3.020 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.788 8.429 -4.151 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.253 6.315 -2.884 1.00 0.00 C ATOM 1016 CD1 ILE A 65 85.211 7.834 -5.496 1.00 0.00 C ATOM 0 H ILE A 65 86.473 10.131 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 65 84.299 8.385 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 65 86.677 7.900 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.727 8.247 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.929 9.510 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.456 5.803 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.849 5.865 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.195 6.221 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.620 8.282 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.268 8.039 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 65 85.047 6.756 -5.485 1.00 0.00 H new ATOM 1028 N ASP A 66 85.738 7.048 0.201 1.00 0.00 N ATOM 1029 CA ASP A 66 86.589 6.398 1.246 1.00 0.00 C ATOM 1030 C ASP A 66 86.407 4.875 1.213 1.00 0.00 C ATOM 1031 O ASP A 66 85.301 4.380 1.322 1.00 0.00 O ATOM 1032 CB ASP A 66 86.097 6.982 2.576 1.00 0.00 C ATOM 1033 CG ASP A 66 84.614 6.653 2.787 1.00 0.00 C ATOM 1034 OD1 ASP A 66 83.786 7.377 2.260 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.335 5.685 3.475 1.00 0.00 O ATOM 0 H ASP A 66 84.772 6.723 0.170 1.00 0.00 H new ATOM 0 HA ASP A 66 87.652 6.585 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.687 6.577 3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.241 8.062 2.582 1.00 0.00 H new ATOM 1040 N LEU A 67 87.480 4.134 1.064 1.00 0.00 N ATOM 1041 CA LEU A 67 87.379 2.640 1.118 1.00 0.00 C ATOM 1042 C LEU A 67 87.235 2.180 2.572 1.00 0.00 C ATOM 1043 O LEU A 67 88.144 2.330 3.369 1.00 0.00 O ATOM 1044 CB LEU A 67 88.697 2.130 0.526 1.00 0.00 C ATOM 1045 CG LEU A 67 88.588 2.046 -1.009 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.857 2.614 -1.650 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.426 0.582 -1.437 1.00 0.00 C ATOM 0 H LEU A 67 88.420 4.498 0.908 1.00 0.00 H new ATOM 0 HA LEU A 67 86.515 2.263 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.513 2.797 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.934 1.148 0.936 1.00 0.00 H new ATOM 0 HG LEU A 67 87.722 2.623 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.775 2.552 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 67 89.979 3.656 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.721 2.039 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.349 0.527 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.291 0.008 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.522 0.170 -0.988 1.00 0.00 H new ATOM 1059 N ILE A 68 86.101 1.620 2.920 1.00 0.00 N ATOM 1060 CA ILE A 68 85.898 1.119 4.318 1.00 0.00 C ATOM 1061 C ILE A 68 86.655 -0.198 4.515 1.00 0.00 C ATOM 1062 O ILE A 68 87.351 -0.385 5.495 1.00 0.00 O ATOM 1063 CB ILE A 68 84.385 0.896 4.460 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.637 2.207 4.188 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.063 0.420 5.881 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.128 1.947 4.176 1.00 0.00 C ATOM 0 H ILE A 68 85.305 1.488 2.295 1.00 0.00 H new ATOM 0 HA ILE A 68 86.270 1.822 5.063 1.00 0.00 H new ATOM 0 HB ILE A 68 84.070 0.141 3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.883 2.943 4.954 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.951 2.625 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.989 0.263 5.977 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.586 -0.516 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.385 1.174 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.599 2.880 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.889 1.226 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.820 1.549 5.143 1.00 0.00 H new ATOM 1078 N GLU A 69 86.517 -1.104 3.581 1.00 0.00 N ATOM 1079 CA GLU A 69 87.165 -2.443 3.717 1.00 0.00 C ATOM 1080 C GLU A 69 87.795 -2.860 2.377 1.00 0.00 C ATOM 1081 O GLU A 69 87.107 -3.397 1.528 1.00 0.00 O ATOM 1082 CB GLU A 69 86.033 -3.397 4.098 1.00 0.00 C ATOM 1083 CG GLU A 69 85.834 -3.374 5.615 1.00 0.00 C ATOM 1084 CD GLU A 69 85.084 -4.634 6.051 1.00 0.00 C ATOM 1085 OE1 GLU A 69 85.734 -5.650 6.239 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.875 -4.563 6.189 1.00 0.00 O ATOM 0 H GLU A 69 85.979 -0.972 2.724 1.00 0.00 H new ATOM 0 HA GLU A 69 87.962 -2.444 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.111 -3.104 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.269 -4.408 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.799 -3.320 6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.273 -2.486 5.905 1.00 0.00 H new ATOM 1093 N PRO A 70 89.081 -2.604 2.214 1.00 0.00 N ATOM 1094 CA PRO A 70 89.763 -2.999 0.958 1.00 0.00 C ATOM 1095 C PRO A 70 89.949 -4.518 0.905 1.00 0.00 C ATOM 1096 O PRO A 70 89.520 -5.171 -0.028 1.00 0.00 O ATOM 1097 CB PRO A 70 91.115 -2.291 1.031 1.00 0.00 C ATOM 1098 CG PRO A 70 91.351 -2.027 2.484 1.00 0.00 C ATOM 1099 CD PRO A 70 90.004 -1.936 3.153 1.00 0.00 C ATOM 0 HA PRO A 70 89.197 -2.727 0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 70 91.906 -2.912 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 70 91.103 -1.362 0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 70 91.946 -2.826 2.927 1.00 0.00 H new ATOM 0 HG3 PRO A 70 91.910 -1.101 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 70 90.009 -2.430 4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 70 89.715 -0.899 3.324 1.00 0.00 H new ATOM 1107 N ALA A 71 90.584 -5.080 1.904 1.00 0.00 N ATOM 1108 CA ALA A 71 90.837 -6.556 1.911 1.00 0.00 C ATOM 1109 C ALA A 71 89.519 -7.320 2.062 1.00 0.00 C ATOM 1110 O ALA A 71 88.608 -6.873 2.736 1.00 0.00 O ATOM 1111 CB ALA A 71 91.744 -6.811 3.118 1.00 0.00 C ATOM 0 H ALA A 71 90.940 -4.579 2.718 1.00 0.00 H new ATOM 0 HA ALA A 71 91.298 -6.893 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 71 91.970 -7.875 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 71 92.671 -6.249 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 71 91.237 -6.490 4.028 1.00 0.00 H new ATOM 1117 N LYS A 72 89.416 -8.468 1.437 1.00 0.00 N ATOM 1118 CA LYS A 72 88.170 -9.286 1.552 1.00 0.00 C ATOM 1119 C LYS A 72 88.318 -10.321 2.671 1.00 0.00 C ATOM 1120 O LYS A 72 89.394 -10.843 2.902 1.00 0.00 O ATOM 1121 CB LYS A 72 88.025 -9.978 0.196 1.00 0.00 C ATOM 1122 CG LYS A 72 87.809 -8.927 -0.894 1.00 0.00 C ATOM 1123 CD LYS A 72 87.549 -9.624 -2.231 1.00 0.00 C ATOM 1124 CE LYS A 72 87.451 -8.576 -3.343 1.00 0.00 C ATOM 1125 NZ LYS A 72 86.044 -8.091 -3.290 1.00 0.00 N ATOM 0 H LYS A 72 90.145 -8.874 0.850 1.00 0.00 H new ATOM 0 HA LYS A 72 87.298 -8.679 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 72 88.917 -10.565 -0.022 1.00 0.00 H new ATOM 0 HB3 LYS A 72 87.185 -10.672 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 72 86.965 -8.287 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 72 88.685 -8.283 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 72 88.353 -10.327 -2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 72 86.626 -10.202 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 72 88.156 -7.761 -3.181 1.00 0.00 H new ATOM 0 HE3 LYS A 72 87.683 -9.009 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 85.839 -7.527 -4.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 85.398 -8.905 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 85.912 -7.502 -2.443 1.00 0.00 H new ATOM 1139 N GLN A 73 87.246 -10.618 3.361 1.00 0.00 N ATOM 1140 CA GLN A 73 87.306 -11.625 4.464 1.00 0.00 C ATOM 1141 C GLN A 73 86.790 -12.979 3.972 1.00 0.00 C ATOM 1142 O GLN A 73 85.672 -13.091 3.504 1.00 0.00 O ATOM 1143 CB GLN A 73 86.395 -11.068 5.558 1.00 0.00 C ATOM 1144 CG GLN A 73 86.475 -11.963 6.797 1.00 0.00 C ATOM 1145 CD GLN A 73 85.457 -11.490 7.835 1.00 0.00 C ATOM 1146 OE1 GLN A 73 84.267 -11.506 7.588 1.00 0.00 O ATOM 1147 NE2 GLN A 73 85.876 -11.065 8.996 1.00 0.00 N ATOM 0 H GLN A 73 86.327 -10.204 3.207 1.00 0.00 H new ATOM 0 HA GLN A 73 88.323 -11.785 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 73 86.694 -10.051 5.812 1.00 0.00 H new ATOM 0 HB3 GLN A 73 85.367 -11.018 5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 73 86.276 -12.999 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 73 87.480 -11.931 7.217 1.00 0.00 H new ATOM 0 HE21 GLN A 73 86.874 -11.051 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 73 85.205 -10.747 9.695 1.00 0.00 H new ATOM 1156 N ASP A 74 87.600 -14.005 4.077 1.00 0.00 N ATOM 1157 CA ASP A 74 87.169 -15.361 3.615 1.00 0.00 C ATOM 1158 C ASP A 74 86.836 -16.252 4.817 1.00 0.00 C ATOM 1159 O ASP A 74 87.402 -16.104 5.885 1.00 0.00 O ATOM 1160 CB ASP A 74 88.371 -15.918 2.838 1.00 0.00 C ATOM 1161 CG ASP A 74 89.616 -16.007 3.740 1.00 0.00 C ATOM 1162 OD1 ASP A 74 89.580 -15.491 4.848 1.00 0.00 O ATOM 1163 OD2 ASP A 74 90.591 -16.597 3.301 1.00 0.00 O ATOM 0 H ASP A 74 88.543 -13.961 4.464 1.00 0.00 H new ATOM 0 HA ASP A 74 86.272 -15.322 2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 74 88.130 -16.906 2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 74 88.583 -15.279 1.981 1.00 0.00 H new ATOM 1168 N LEU A 75 85.921 -17.173 4.643 1.00 0.00 N ATOM 1169 CA LEU A 75 85.552 -18.097 5.763 1.00 0.00 C ATOM 1170 C LEU A 75 86.744 -18.986 6.127 1.00 0.00 C ATOM 1171 O LEU A 75 86.943 -19.327 7.279 1.00 0.00 O ATOM 1172 CB LEU A 75 84.393 -18.947 5.230 1.00 0.00 C ATOM 1173 CG LEU A 75 83.205 -18.044 4.881 1.00 0.00 C ATOM 1174 CD1 LEU A 75 82.093 -18.886 4.253 1.00 0.00 C ATOM 1175 CD2 LEU A 75 82.675 -17.377 6.154 1.00 0.00 C ATOM 0 H LEU A 75 85.412 -17.326 3.772 1.00 0.00 H new ATOM 0 HA LEU A 75 85.270 -17.552 6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 75 84.712 -19.501 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 75 84.095 -19.682 5.978 1.00 0.00 H new ATOM 0 HG LEU A 75 83.529 -17.278 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 75 81.247 -18.245 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 75 82.466 -19.363 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 75 81.773 -19.651 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 75 81.830 -16.735 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 75 82.352 -18.143 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 75 83.465 -16.777 6.606 1.00 0.00 H new ATOM 1187 N ASP A 76 87.532 -19.362 5.151 1.00 0.00 N ATOM 1188 CA ASP A 76 88.704 -20.252 5.419 1.00 0.00 C ATOM 1189 C ASP A 76 89.818 -19.981 4.405 1.00 0.00 C ATOM 1190 O ASP A 76 89.589 -19.395 3.362 1.00 0.00 O ATOM 1191 CB ASP A 76 88.164 -21.673 5.257 1.00 0.00 C ATOM 1192 CG ASP A 76 89.229 -22.678 5.704 1.00 0.00 C ATOM 1193 OD1 ASP A 76 89.310 -22.933 6.896 1.00 0.00 O ATOM 1194 OD2 ASP A 76 89.943 -23.175 4.850 1.00 0.00 O ATOM 0 H ASP A 76 87.414 -19.090 4.175 1.00 0.00 H new ATOM 0 HA ASP A 76 89.131 -20.088 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 76 87.258 -21.799 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 76 87.892 -21.854 4.217 1.00 0.00 H new ATOM 1199 N GLY A 77 91.022 -20.404 4.708 1.00 0.00 N ATOM 1200 CA GLY A 77 92.166 -20.170 3.776 1.00 0.00 C ATOM 1201 C GLY A 77 93.485 -20.291 4.541 1.00 0.00 C ATOM 1202 O GLY A 77 94.500 -20.667 3.985 1.00 0.00 O ATOM 0 H GLY A 77 91.261 -20.903 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.139 -20.894 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.085 -19.181 3.326 1.00 0.00 H new ATOM 1206 N HIS A 78 93.475 -19.973 5.814 1.00 0.00 N ATOM 1207 CA HIS A 78 94.722 -20.072 6.632 1.00 0.00 C ATOM 1208 C HIS A 78 94.460 -20.895 7.896 1.00 0.00 C ATOM 1209 O HIS A 78 93.327 -21.175 8.238 1.00 0.00 O ATOM 1210 CB HIS A 78 95.074 -18.629 6.993 1.00 0.00 C ATOM 1211 CG HIS A 78 95.240 -17.735 5.795 1.00 0.00 C ATOM 1212 ND1 HIS A 78 96.285 -17.886 4.897 1.00 0.00 N ATOM 1213 CD2 HIS A 78 94.501 -16.672 5.335 1.00 0.00 C ATOM 1214 CE1 HIS A 78 96.148 -16.939 3.952 1.00 0.00 C ATOM 1215 NE2 HIS A 78 95.077 -16.172 4.171 1.00 0.00 N ATOM 0 H HIS A 78 92.652 -19.648 6.322 1.00 0.00 H new ATOM 0 HA HIS A 78 95.532 -20.566 6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 78 94.292 -18.222 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 78 95.997 -18.622 7.572 1.00 0.00 H new ATOM 0 HD2 HIS A 78 93.609 -16.284 5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 78 96.822 -16.814 3.118 1.00 0.00 H new ATOM 0 HE2 HIS A 78 94.751 -15.388 3.606 1.00 0.00 H new ATOM 1223 N THR A 79 95.505 -21.281 8.591 1.00 0.00 N ATOM 1224 CA THR A 79 95.329 -22.090 9.843 1.00 0.00 C ATOM 1225 C THR A 79 94.465 -21.328 10.853 1.00 0.00 C ATOM 1226 O THR A 79 93.638 -21.907 11.534 1.00 0.00 O ATOM 1227 CB THR A 79 96.742 -22.295 10.397 1.00 0.00 C ATOM 1228 OG1 THR A 79 97.563 -22.874 9.392 1.00 0.00 O ATOM 1229 CG2 THR A 79 96.685 -23.224 11.611 1.00 0.00 C ATOM 0 H THR A 79 96.473 -21.071 8.346 1.00 0.00 H new ATOM 0 HA THR A 79 94.829 -23.038 9.647 1.00 0.00 H new ATOM 0 HB THR A 79 97.159 -21.334 10.697 1.00 0.00 H new ATOM 0 HG1 THR A 79 98.468 -23.004 9.744 1.00 0.00 H new ATOM 0 HG21 THR A 79 97.691 -23.370 12.005 1.00 0.00 H new ATOM 0 HG22 THR A 79 96.055 -22.779 12.381 1.00 0.00 H new ATOM 0 HG23 THR A 79 96.269 -24.186 11.313 1.00 0.00 H new ATOM 1237 N ALA A 80 94.655 -20.035 10.951 1.00 0.00 N ATOM 1238 CA ALA A 80 93.823 -19.213 11.881 1.00 0.00 C ATOM 1239 C ALA A 80 93.318 -17.948 11.163 1.00 0.00 C ATOM 1240 O ALA A 80 93.951 -17.488 10.233 1.00 0.00 O ATOM 1241 CB ALA A 80 94.762 -18.841 13.028 1.00 0.00 C ATOM 0 H ALA A 80 95.354 -19.512 10.424 1.00 0.00 H new ATOM 0 HA ALA A 80 92.943 -19.750 12.234 1.00 0.00 H new ATOM 0 HB1 ALA A 80 94.224 -18.234 13.756 1.00 0.00 H new ATOM 0 HB2 ALA A 80 95.126 -19.749 13.510 1.00 0.00 H new ATOM 0 HB3 ALA A 80 95.607 -18.274 12.637 1.00 0.00 H new ATOM 1247 N PRO A 81 92.194 -17.415 11.608 1.00 0.00 N ATOM 1248 CA PRO A 81 91.648 -16.191 10.970 1.00 0.00 C ATOM 1249 C PRO A 81 92.608 -15.005 11.178 1.00 0.00 C ATOM 1250 O PRO A 81 93.231 -14.906 12.216 1.00 0.00 O ATOM 1251 CB PRO A 81 90.320 -15.941 11.694 1.00 0.00 C ATOM 1252 CG PRO A 81 90.026 -17.196 12.456 1.00 0.00 C ATOM 1253 CD PRO A 81 91.338 -17.879 12.712 1.00 0.00 C ATOM 0 HA PRO A 81 91.518 -16.304 9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 81 90.396 -15.085 12.365 1.00 0.00 H new ATOM 0 HB3 PRO A 81 89.523 -15.720 10.984 1.00 0.00 H new ATOM 0 HG2 PRO A 81 89.522 -16.967 13.395 1.00 0.00 H new ATOM 0 HG3 PRO A 81 89.360 -17.844 11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 81 91.751 -17.603 13.682 1.00 0.00 H new ATOM 0 HD3 PRO A 81 91.232 -18.964 12.708 1.00 0.00 H new ATOM 1261 N PRO A 82 92.708 -14.134 10.188 1.00 0.00 N ATOM 1262 CA PRO A 82 93.585 -12.942 10.332 1.00 0.00 C ATOM 1263 C PRO A 82 93.031 -12.003 11.419 1.00 0.00 C ATOM 1264 O PRO A 82 91.847 -12.022 11.689 1.00 0.00 O ATOM 1265 CB PRO A 82 93.537 -12.270 8.960 1.00 0.00 C ATOM 1266 CG PRO A 82 92.306 -12.800 8.297 1.00 0.00 C ATOM 1267 CD PRO A 82 92.039 -14.163 8.875 1.00 0.00 C ATOM 0 HA PRO A 82 94.601 -13.199 10.631 1.00 0.00 H new ATOM 0 HB2 PRO A 82 93.495 -11.185 9.056 1.00 0.00 H new ATOM 0 HB3 PRO A 82 94.428 -12.504 8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 82 91.459 -12.136 8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 82 92.447 -12.861 7.218 1.00 0.00 H new ATOM 0 HD2 PRO A 82 90.970 -14.351 8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 82 92.442 -14.951 8.239 1.00 0.00 H new ATOM 1275 N PRO A 83 93.897 -11.202 12.017 1.00 0.00 N ATOM 1276 CA PRO A 83 93.441 -10.278 13.089 1.00 0.00 C ATOM 1277 C PRO A 83 92.387 -9.307 12.546 1.00 0.00 C ATOM 1278 O PRO A 83 92.513 -8.794 11.449 1.00 0.00 O ATOM 1279 CB PRO A 83 94.706 -9.526 13.510 1.00 0.00 C ATOM 1280 CG PRO A 83 95.706 -9.770 12.424 1.00 0.00 C ATOM 1281 CD PRO A 83 95.344 -11.073 11.769 1.00 0.00 C ATOM 0 HA PRO A 83 92.977 -10.803 13.924 1.00 0.00 H new ATOM 0 HB2 PRO A 83 94.507 -8.461 13.626 1.00 0.00 H new ATOM 0 HB3 PRO A 83 95.075 -9.888 14.470 1.00 0.00 H new ATOM 0 HG2 PRO A 83 95.691 -8.957 11.698 1.00 0.00 H new ATOM 0 HG3 PRO A 83 96.715 -9.813 12.833 1.00 0.00 H new ATOM 0 HD2 PRO A 83 95.567 -11.060 10.702 1.00 0.00 H new ATOM 0 HD3 PRO A 83 95.900 -11.906 12.201 1.00 0.00 H new ATOM 1289 N VAL A 84 91.355 -9.053 13.311 1.00 0.00 N ATOM 1290 CA VAL A 84 90.271 -8.132 12.846 1.00 0.00 C ATOM 1291 C VAL A 84 90.063 -7.009 13.868 1.00 0.00 C ATOM 1292 O VAL A 84 90.066 -7.240 15.063 1.00 0.00 O ATOM 1293 CB VAL A 84 89.013 -9.005 12.737 1.00 0.00 C ATOM 1294 CG1 VAL A 84 87.840 -8.160 12.235 1.00 0.00 C ATOM 1295 CG2 VAL A 84 89.262 -10.151 11.749 1.00 0.00 C ATOM 0 H VAL A 84 91.215 -9.445 14.242 1.00 0.00 H new ATOM 0 HA VAL A 84 90.513 -7.658 11.895 1.00 0.00 H new ATOM 0 HB VAL A 84 88.778 -9.412 13.720 1.00 0.00 H new ATOM 0 HG11 VAL A 84 86.949 -8.783 12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 84 87.654 -7.344 12.934 1.00 0.00 H new ATOM 0 HG13 VAL A 84 88.081 -7.750 11.254 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.367 -10.768 11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.502 -9.740 10.768 1.00 0.00 H new ATOM 0 HG23 VAL A 84 90.094 -10.760 12.101 1.00 0.00 H new ATOM 1305 N VAL A 85 89.885 -5.798 13.402 1.00 0.00 N ATOM 1306 CA VAL A 85 89.647 -4.652 14.334 1.00 0.00 C ATOM 1307 C VAL A 85 88.188 -4.195 14.234 1.00 0.00 C ATOM 1308 O VAL A 85 87.649 -4.051 13.151 1.00 0.00 O ATOM 1309 CB VAL A 85 90.598 -3.541 13.866 1.00 0.00 C ATOM 1310 CG1 VAL A 85 90.453 -2.320 14.778 1.00 0.00 C ATOM 1311 CG2 VAL A 85 92.046 -4.040 13.927 1.00 0.00 C ATOM 0 H VAL A 85 89.894 -5.552 12.412 1.00 0.00 H new ATOM 0 HA VAL A 85 89.829 -4.920 15.375 1.00 0.00 H new ATOM 0 HB VAL A 85 90.347 -3.267 12.841 1.00 0.00 H new ATOM 0 HG11 VAL A 85 91.129 -1.533 14.443 1.00 0.00 H new ATOM 0 HG12 VAL A 85 89.426 -1.957 14.739 1.00 0.00 H new ATOM 0 HG13 VAL A 85 90.700 -2.599 15.802 1.00 0.00 H new ATOM 0 HG21 VAL A 85 92.718 -3.249 13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 85 92.292 -4.318 14.952 1.00 0.00 H new ATOM 0 HG23 VAL A 85 92.159 -4.909 13.278 1.00 0.00 H new ATOM 1321 N ASN A 86 87.550 -3.968 15.356 1.00 0.00 N ATOM 1322 CA ASN A 86 86.108 -3.575 15.344 1.00 0.00 C ATOM 1323 C ASN A 86 85.962 -2.072 15.599 1.00 0.00 C ATOM 1324 O ASN A 86 86.486 -1.545 16.563 1.00 0.00 O ATOM 1325 CB ASN A 86 85.470 -4.376 16.478 1.00 0.00 C ATOM 1326 CG ASN A 86 83.958 -4.147 16.475 1.00 0.00 C ATOM 1327 OD1 ASN A 86 83.435 -3.451 17.322 1.00 0.00 O ATOM 1328 ND2 ASN A 86 83.228 -4.707 15.549 1.00 0.00 N ATOM 0 H ASN A 86 87.969 -4.039 16.283 1.00 0.00 H new ATOM 0 HA ASN A 86 85.635 -3.779 14.384 1.00 0.00 H new ATOM 0 HB2 ASN A 86 85.688 -5.437 16.356 1.00 0.00 H new ATOM 0 HB3 ASN A 86 85.893 -4.072 17.435 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.219 -4.560 15.537 1.00 0.00 H new ATOM 0 HD22 ASN A 86 83.667 -5.292 14.838 1.00 0.00 H new ATOM 1335 N LYS A 87 85.250 -1.385 14.739 1.00 0.00 N ATOM 1336 CA LYS A 87 85.035 0.082 14.930 1.00 0.00 C ATOM 1337 C LYS A 87 83.527 0.392 14.986 1.00 0.00 C ATOM 1338 O LYS A 87 82.960 0.838 14.007 1.00 0.00 O ATOM 1339 CB LYS A 87 85.680 0.737 13.707 1.00 0.00 C ATOM 1340 CG LYS A 87 87.144 1.061 14.014 1.00 0.00 C ATOM 1341 CD LYS A 87 87.212 2.159 15.078 1.00 0.00 C ATOM 1342 CE LYS A 87 88.554 2.887 14.978 1.00 0.00 C ATOM 1343 NZ LYS A 87 88.666 3.661 16.246 1.00 0.00 N ATOM 0 H LYS A 87 84.807 -1.780 13.910 1.00 0.00 H new ATOM 0 HA LYS A 87 85.467 0.450 15.861 1.00 0.00 H new ATOM 0 HB2 LYS A 87 85.617 0.069 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 87 85.142 1.648 13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 87 87.659 0.167 14.365 1.00 0.00 H new ATOM 0 HG3 LYS A 87 87.653 1.387 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 87 86.393 2.865 14.940 1.00 0.00 H new ATOM 0 HD3 LYS A 87 87.095 1.725 16.071 1.00 0.00 H new ATOM 0 HE2 LYS A 87 89.379 2.182 14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 87 88.583 3.545 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.562 4.188 16.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 87.871 4.328 16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 88.643 3.008 17.055 1.00 0.00 H new ATOM 1357 N PRO A 88 82.909 0.148 16.131 1.00 0.00 N ATOM 1358 CA PRO A 88 81.446 0.388 16.261 1.00 0.00 C ATOM 1359 C PRO A 88 81.107 1.853 15.962 1.00 0.00 C ATOM 1360 O PRO A 88 81.898 2.745 16.211 1.00 0.00 O ATOM 1361 CB PRO A 88 81.135 0.052 17.721 1.00 0.00 C ATOM 1362 CG PRO A 88 82.293 -0.761 18.205 1.00 0.00 C ATOM 1363 CD PRO A 88 83.489 -0.362 17.387 1.00 0.00 C ATOM 0 HA PRO A 88 80.864 -0.211 15.561 1.00 0.00 H new ATOM 0 HB2 PRO A 88 81.018 0.958 18.315 1.00 0.00 H new ATOM 0 HB3 PRO A 88 80.203 -0.506 17.804 1.00 0.00 H new ATOM 0 HG2 PRO A 88 82.474 -0.580 19.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 82.089 -1.826 18.094 1.00 0.00 H new ATOM 0 HD2 PRO A 88 84.081 0.401 17.892 1.00 0.00 H new ATOM 0 HD3 PRO A 88 84.150 -1.210 17.206 1.00 0.00 H new ATOM 1371 N THR A 89 79.935 2.100 15.427 1.00 0.00 N ATOM 1372 CA THR A 89 79.517 3.503 15.128 1.00 0.00 C ATOM 1373 C THR A 89 78.321 3.901 16.012 1.00 0.00 C ATOM 1374 O THR A 89 77.200 3.535 15.716 1.00 0.00 O ATOM 1375 CB THR A 89 79.111 3.488 13.653 1.00 0.00 C ATOM 1376 OG1 THR A 89 78.169 2.448 13.433 1.00 0.00 O ATOM 1377 CG2 THR A 89 80.347 3.253 12.783 1.00 0.00 C ATOM 0 H THR A 89 79.248 1.386 15.184 1.00 0.00 H new ATOM 0 HA THR A 89 80.312 4.222 15.326 1.00 0.00 H new ATOM 0 HB THR A 89 78.662 4.446 13.390 1.00 0.00 H new ATOM 0 HG1 THR A 89 77.500 2.456 14.149 1.00 0.00 H new ATOM 0 HG21 THR A 89 80.056 3.243 11.733 1.00 0.00 H new ATOM 0 HG22 THR A 89 81.068 4.053 12.952 1.00 0.00 H new ATOM 0 HG23 THR A 89 80.799 2.296 13.044 1.00 0.00 H new ATOM 1385 N PRO A 90 78.583 4.641 17.076 1.00 0.00 N ATOM 1386 CA PRO A 90 77.482 5.054 17.986 1.00 0.00 C ATOM 1387 C PRO A 90 76.442 5.896 17.236 1.00 0.00 C ATOM 1388 O PRO A 90 75.291 5.961 17.632 1.00 0.00 O ATOM 1389 CB PRO A 90 78.174 5.888 19.068 1.00 0.00 C ATOM 1390 CG PRO A 90 79.523 6.229 18.519 1.00 0.00 C ATOM 1391 CD PRO A 90 79.885 5.157 17.531 1.00 0.00 C ATOM 0 HA PRO A 90 76.944 4.201 18.399 1.00 0.00 H new ATOM 0 HB2 PRO A 90 77.603 6.789 19.291 1.00 0.00 H new ATOM 0 HB3 PRO A 90 78.261 5.327 19.998 1.00 0.00 H new ATOM 0 HG2 PRO A 90 79.506 7.207 18.037 1.00 0.00 H new ATOM 0 HG3 PRO A 90 80.262 6.281 19.319 1.00 0.00 H new ATOM 0 HD2 PRO A 90 80.468 5.558 16.702 1.00 0.00 H new ATOM 0 HD3 PRO A 90 80.486 4.374 17.993 1.00 0.00 H new ATOM 1399 N VAL A 91 76.835 6.537 16.159 1.00 0.00 N ATOM 1400 CA VAL A 91 75.877 7.410 15.403 1.00 0.00 C ATOM 1401 C VAL A 91 74.687 6.577 14.908 1.00 0.00 C ATOM 1402 O VAL A 91 73.553 7.019 14.952 1.00 0.00 O ATOM 1403 CB VAL A 91 76.680 7.971 14.220 1.00 0.00 C ATOM 1404 CG1 VAL A 91 75.789 8.875 13.362 1.00 0.00 C ATOM 1405 CG2 VAL A 91 77.865 8.787 14.747 1.00 0.00 C ATOM 0 H VAL A 91 77.777 6.494 15.771 1.00 0.00 H new ATOM 0 HA VAL A 91 75.471 8.209 16.023 1.00 0.00 H new ATOM 0 HB VAL A 91 77.043 7.141 13.613 1.00 0.00 H new ATOM 0 HG11 VAL A 91 76.367 9.268 12.526 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.946 8.299 12.981 1.00 0.00 H new ATOM 0 HG13 VAL A 91 75.419 9.702 13.968 1.00 0.00 H new ATOM 0 HG21 VAL A 91 78.435 9.185 13.907 1.00 0.00 H new ATOM 0 HG22 VAL A 91 77.496 9.611 15.358 1.00 0.00 H new ATOM 0 HG23 VAL A 91 78.508 8.147 15.351 1.00 0.00 H new ATOM 1415 N LYS A 92 74.942 5.380 14.439 1.00 0.00 N ATOM 1416 CA LYS A 92 73.836 4.518 13.921 1.00 0.00 C ATOM 1417 C LYS A 92 73.223 3.694 15.058 1.00 0.00 C ATOM 1418 O LYS A 92 72.092 3.915 15.450 1.00 0.00 O ATOM 1419 CB LYS A 92 74.495 3.609 12.880 1.00 0.00 C ATOM 1420 CG LYS A 92 73.432 2.722 12.230 1.00 0.00 C ATOM 1421 CD LYS A 92 72.602 3.554 11.250 1.00 0.00 C ATOM 1422 CE LYS A 92 71.594 2.648 10.538 1.00 0.00 C ATOM 1423 NZ LYS A 92 72.389 1.928 9.504 1.00 0.00 N ATOM 0 H LYS A 92 75.871 4.962 14.393 1.00 0.00 H new ATOM 0 HA LYS A 92 73.024 5.103 13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 92 74.995 4.211 12.121 1.00 0.00 H new ATOM 0 HB3 LYS A 92 75.259 2.992 13.352 1.00 0.00 H new ATOM 0 HG2 LYS A 92 73.906 1.891 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 92 72.786 2.290 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 92 72.080 4.349 11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 92 73.254 4.034 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 92 71.129 1.951 11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 92 70.791 3.230 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 72.018 2.156 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 73.385 2.222 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 72.320 0.903 9.665 1.00 0.00 H new ATOM 1437 N LEU A 93 73.961 2.749 15.589 1.00 0.00 N ATOM 1438 CA LEU A 93 73.414 1.878 16.676 1.00 0.00 C ATOM 1439 C LEU A 93 74.162 2.149 17.998 1.00 0.00 C ATOM 1440 O LEU A 93 75.320 1.801 18.117 1.00 0.00 O ATOM 1441 CB LEU A 93 73.665 0.435 16.197 1.00 0.00 C ATOM 1442 CG LEU A 93 72.336 -0.322 16.098 1.00 0.00 C ATOM 1443 CD1 LEU A 93 71.571 0.151 14.861 1.00 0.00 C ATOM 1444 CD2 LEU A 93 72.613 -1.823 15.982 1.00 0.00 C ATOM 0 H LEU A 93 74.922 2.543 15.315 1.00 0.00 H new ATOM 0 HA LEU A 93 72.357 2.065 16.864 1.00 0.00 H new ATOM 0 HB2 LEU A 93 74.160 0.446 15.226 1.00 0.00 H new ATOM 0 HB3 LEU A 93 74.334 -0.076 16.890 1.00 0.00 H new ATOM 0 HG LEU A 93 71.740 -0.129 16.990 1.00 0.00 H new ATOM 0 HD11 LEU A 93 70.626 -0.387 14.790 1.00 0.00 H new ATOM 0 HD12 LEU A 93 71.375 1.220 14.941 1.00 0.00 H new ATOM 0 HD13 LEU A 93 72.167 -0.043 13.969 1.00 0.00 H new ATOM 0 HD21 LEU A 93 71.669 -2.363 15.912 1.00 0.00 H new ATOM 0 HD22 LEU A 93 73.208 -2.015 15.089 1.00 0.00 H new ATOM 0 HD23 LEU A 93 73.159 -2.161 16.862 1.00 0.00 H new ATOM 1456 N PRO A 94 73.490 2.761 18.961 1.00 0.00 N ATOM 1457 CA PRO A 94 74.128 2.990 20.287 1.00 0.00 C ATOM 1458 C PRO A 94 74.529 1.655 20.925 1.00 0.00 C ATOM 1459 O PRO A 94 73.846 0.658 20.772 1.00 0.00 O ATOM 1460 CB PRO A 94 73.045 3.681 21.116 1.00 0.00 C ATOM 1461 CG PRO A 94 72.038 4.184 20.130 1.00 0.00 C ATOM 1462 CD PRO A 94 72.117 3.292 18.922 1.00 0.00 C ATOM 0 HA PRO A 94 75.038 3.586 20.216 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.589 2.986 21.821 1.00 0.00 H new ATOM 0 HB3 PRO A 94 73.463 4.500 21.701 1.00 0.00 H new ATOM 0 HG2 PRO A 94 71.036 4.164 20.559 1.00 0.00 H new ATOM 0 HG3 PRO A 94 72.248 5.219 19.859 1.00 0.00 H new ATOM 0 HD2 PRO A 94 71.378 2.492 18.967 1.00 0.00 H new ATOM 0 HD3 PRO A 94 71.930 3.847 18.003 1.00 0.00 H new ATOM 1470 N HIS A 95 75.629 1.634 21.637 1.00 0.00 N ATOM 1471 CA HIS A 95 76.101 0.362 22.265 1.00 0.00 C ATOM 1472 C HIS A 95 76.132 0.498 23.790 1.00 0.00 C ATOM 1473 O HIS A 95 76.575 1.499 24.322 1.00 0.00 O ATOM 1474 CB HIS A 95 77.513 0.152 21.720 1.00 0.00 C ATOM 1475 CG HIS A 95 77.562 -0.007 20.225 1.00 0.00 C ATOM 1476 ND1 HIS A 95 77.118 -1.156 19.590 1.00 0.00 N ATOM 1477 CD2 HIS A 95 77.999 0.829 19.227 1.00 0.00 C ATOM 1478 CE1 HIS A 95 77.297 -0.982 18.267 1.00 0.00 C ATOM 1479 NE2 HIS A 95 77.831 0.211 17.991 1.00 0.00 N ATOM 0 H HIS A 95 76.222 2.446 21.810 1.00 0.00 H new ATOM 0 HA HIS A 95 75.444 -0.477 22.036 1.00 0.00 H new ATOM 0 HB2 HIS A 95 78.135 1.000 22.008 1.00 0.00 H new ATOM 0 HB3 HIS A 95 77.946 -0.733 22.186 1.00 0.00 H new ATOM 0 HD1 HIS A 95 76.727 -1.982 20.042 1.00 0.00 H new ATOM 0 HD2 HIS A 95 78.411 1.816 19.378 1.00 0.00 H new ATOM 0 HE1 HIS A 95 77.040 -1.718 17.519 1.00 0.00 H new ATOM 1487 N PHE A 96 75.662 -0.504 24.490 1.00 0.00 N ATOM 1488 CA PHE A 96 75.711 -0.479 25.983 1.00 0.00 C ATOM 1489 C PHE A 96 76.765 -1.473 26.481 1.00 0.00 C ATOM 1490 O PHE A 96 76.937 -2.536 25.917 1.00 0.00 O ATOM 1491 CB PHE A 96 74.311 -0.895 26.433 1.00 0.00 C ATOM 1492 CG PHE A 96 74.061 -0.674 27.907 1.00 0.00 C ATOM 1493 CD1 PHE A 96 73.642 0.616 28.380 1.00 0.00 C ATOM 1494 CD2 PHE A 96 74.240 -1.753 28.832 1.00 0.00 C ATOM 1495 CE1 PHE A 96 73.404 0.823 29.779 1.00 0.00 C ATOM 1496 CE2 PHE A 96 74.002 -1.546 30.233 1.00 0.00 C ATOM 1497 CZ PHE A 96 73.584 -0.258 30.706 1.00 0.00 C ATOM 0 H PHE A 96 75.244 -1.343 24.088 1.00 0.00 H new ATOM 0 HA PHE A 96 75.983 0.499 26.379 1.00 0.00 H new ATOM 0 HB2 PHE A 96 73.572 -0.335 25.859 1.00 0.00 H new ATOM 0 HB3 PHE A 96 74.162 -1.950 26.201 1.00 0.00 H new ATOM 0 HD1 PHE A 96 73.506 1.429 27.683 1.00 0.00 H new ATOM 0 HD2 PHE A 96 74.554 -2.723 28.476 1.00 0.00 H new ATOM 0 HE1 PHE A 96 73.089 1.793 30.135 1.00 0.00 H new ATOM 0 HE2 PHE A 96 74.138 -2.360 30.930 1.00 0.00 H new ATOM 0 HZ PHE A 96 73.405 -0.102 31.759 1.00 0.00 H new ATOM 1507 N SER A 97 77.469 -1.134 27.533 1.00 0.00 N ATOM 1508 CA SER A 97 78.632 -1.976 27.973 1.00 0.00 C ATOM 1509 C SER A 97 78.197 -3.423 28.242 1.00 0.00 C ATOM 1510 O SER A 97 78.902 -4.358 27.911 1.00 0.00 O ATOM 1511 CB SER A 97 79.134 -1.328 29.265 1.00 0.00 C ATOM 1512 OG SER A 97 79.415 0.044 29.024 1.00 0.00 O ATOM 0 H SER A 97 77.291 -0.311 28.108 1.00 0.00 H new ATOM 0 HA SER A 97 79.404 -2.020 27.205 1.00 0.00 H new ATOM 0 HB2 SER A 97 78.383 -1.425 30.049 1.00 0.00 H new ATOM 0 HB3 SER A 97 80.031 -1.838 29.617 1.00 0.00 H new ATOM 0 HG SER A 97 79.735 0.462 29.850 1.00 0.00 H new ATOM 1518 N ASN A 98 77.043 -3.608 28.836 1.00 0.00 N ATOM 1519 CA ASN A 98 76.589 -4.993 29.195 1.00 0.00 C ATOM 1520 C ASN A 98 76.489 -5.870 27.942 1.00 0.00 C ATOM 1521 O ASN A 98 76.849 -7.033 27.963 1.00 0.00 O ATOM 1522 CB ASN A 98 75.209 -4.821 29.836 1.00 0.00 C ATOM 1523 CG ASN A 98 74.823 -6.105 30.571 1.00 0.00 C ATOM 1524 OD1 ASN A 98 75.485 -6.504 31.509 1.00 0.00 O ATOM 1525 ND2 ASN A 98 73.772 -6.775 30.183 1.00 0.00 N ATOM 0 H ASN A 98 76.395 -2.862 29.089 1.00 0.00 H new ATOM 0 HA ASN A 98 77.291 -5.482 29.870 1.00 0.00 H new ATOM 0 HB2 ASN A 98 75.222 -3.981 30.531 1.00 0.00 H new ATOM 0 HB3 ASN A 98 74.467 -4.591 29.071 1.00 0.00 H new ATOM 0 HD21 ASN A 98 73.507 -7.633 30.667 1.00 0.00 H new ATOM 0 HD22 ASN A 98 73.216 -6.441 29.396 1.00 0.00 H new ATOM 1532 N ILE A 99 76.003 -5.319 26.853 1.00 0.00 N ATOM 1533 CA ILE A 99 75.824 -6.133 25.610 1.00 0.00 C ATOM 1534 C ILE A 99 76.518 -5.453 24.420 1.00 0.00 C ATOM 1535 O ILE A 99 76.391 -4.260 24.215 1.00 0.00 O ATOM 1536 CB ILE A 99 74.304 -6.212 25.401 1.00 0.00 C ATOM 1537 CG1 ILE A 99 74.000 -7.042 24.149 1.00 0.00 C ATOM 1538 CG2 ILE A 99 73.715 -4.807 25.232 1.00 0.00 C ATOM 1539 CD1 ILE A 99 72.520 -7.430 24.139 1.00 0.00 C ATOM 0 H ILE A 99 75.723 -4.341 26.773 1.00 0.00 H new ATOM 0 HA ILE A 99 76.267 -7.125 25.695 1.00 0.00 H new ATOM 0 HB ILE A 99 73.855 -6.683 26.275 1.00 0.00 H new ATOM 0 HG12 ILE A 99 74.243 -6.470 23.253 1.00 0.00 H new ATOM 0 HG13 ILE A 99 74.621 -7.937 24.134 1.00 0.00 H new ATOM 0 HG21 ILE A 99 72.637 -4.880 25.085 1.00 0.00 H new ATOM 0 HG22 ILE A 99 73.920 -4.217 26.125 1.00 0.00 H new ATOM 0 HG23 ILE A 99 74.168 -4.324 24.366 1.00 0.00 H new ATOM 0 HD11 ILE A 99 72.305 -8.020 23.248 1.00 0.00 H new ATOM 0 HD12 ILE A 99 72.292 -8.018 25.028 1.00 0.00 H new ATOM 0 HD13 ILE A 99 71.908 -6.528 24.134 1.00 0.00 H new ATOM 1551 N LEU A 100 77.247 -6.213 23.638 1.00 0.00 N ATOM 1552 CA LEU A 100 77.948 -5.625 22.451 1.00 0.00 C ATOM 1553 C LEU A 100 76.926 -5.082 21.450 1.00 0.00 C ATOM 1554 O LEU A 100 77.155 -4.077 20.801 1.00 0.00 O ATOM 1555 CB LEU A 100 78.741 -6.781 21.830 1.00 0.00 C ATOM 1556 CG LEU A 100 79.777 -7.296 22.833 1.00 0.00 C ATOM 1557 CD1 LEU A 100 80.347 -8.627 22.336 1.00 0.00 C ATOM 1558 CD2 LEU A 100 80.913 -6.275 22.971 1.00 0.00 C ATOM 0 H LEU A 100 77.387 -7.215 23.770 1.00 0.00 H new ATOM 0 HA LEU A 100 78.597 -4.795 22.731 1.00 0.00 H new ATOM 0 HB2 LEU A 100 78.064 -7.587 21.546 1.00 0.00 H new ATOM 0 HB3 LEU A 100 79.238 -6.446 20.920 1.00 0.00 H new ATOM 0 HG LEU A 100 79.301 -7.441 23.803 1.00 0.00 H new ATOM 0 HD11 LEU A 100 81.085 -8.996 23.049 1.00 0.00 H new ATOM 0 HD12 LEU A 100 79.541 -9.354 22.239 1.00 0.00 H new ATOM 0 HD13 LEU A 100 80.821 -8.480 21.366 1.00 0.00 H new ATOM 0 HD21 LEU A 100 81.649 -6.644 23.685 1.00 0.00 H new ATOM 0 HD22 LEU A 100 81.390 -6.128 22.002 1.00 0.00 H new ATOM 0 HD23 LEU A 100 80.509 -5.326 23.324 1.00 0.00 H new ATOM 1570 N GLY A 101 75.800 -5.742 21.323 1.00 0.00 N ATOM 1571 CA GLY A 101 74.752 -5.280 20.365 1.00 0.00 C ATOM 1572 C GLY A 101 73.828 -4.279 21.060 1.00 0.00 C ATOM 1573 O GLY A 101 72.641 -4.549 21.130 1.00 0.00 O ATOM 1574 OXT GLY A 101 74.323 -3.259 21.511 1.00 0.00 O ATOM 0 H GLY A 101 75.563 -6.585 21.846 1.00 0.00 H new ATOM 0 HA2 GLY A 101 75.218 -4.817 19.495 1.00 0.00 H new ATOM 0 HA3 GLY A 101 74.176 -6.131 20.002 1.00 0.00 H new TER 1578 GLY A 101