USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 760 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 43 LYS NZ :NH3+ 152:sc= 0.367 (180deg=0.0138) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 56:sc= 0.864 USER MOD Single : A 13 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.203 X(o=0.2,f=-0.022) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.213 F(o=-1.3,f=-0.21) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0862) USER MOD Single : A 28 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.24) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -150:sc= -0.161 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0758) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0555) USER MOD Single : A 41 CYS SG : rot 133:sc= -3.4! USER MOD Single : A 42 MET CE :methyl -160:sc= -0.223 (180deg=-0.866) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.121 (180deg=-0.93) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 68:sc= 0.604 USER MOD Single : A 58 TYR OH : rot 71:sc= 1.87 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -80:sc= 1.2 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 49:sc= 0.0256 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 151.975 -4.350 17.358 1.00 0.00 N ATOM 2 CA GLY A 1 152.682 -4.534 16.061 1.00 0.00 C ATOM 3 C GLY A 1 152.133 -5.699 15.261 1.00 0.00 C ATOM 4 O GLY A 1 152.858 -6.645 14.950 1.00 0.00 O ATOM 0 H1 GLY A 1 152.387 -3.542 17.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 150.966 -4.170 17.181 1.00 0.00 H new ATOM 0 H3 GLY A 1 152.077 -5.210 17.934 1.00 0.00 H new ATOM 0 HA2 GLY A 1 152.597 -3.621 15.472 1.00 0.00 H new ATOM 0 HA3 GLY A 1 153.744 -4.695 16.249 1.00 0.00 H new ATOM 10 N GLU A 2 150.849 -5.632 14.927 1.00 0.00 N ATOM 11 CA GLU A 2 150.201 -6.689 14.157 1.00 0.00 C ATOM 12 C GLU A 2 148.748 -6.332 13.858 1.00 0.00 C ATOM 13 O GLU A 2 148.137 -5.532 14.565 1.00 0.00 O ATOM 14 CB GLU A 2 150.268 -8.017 14.915 1.00 0.00 C ATOM 15 CG GLU A 2 150.244 -9.236 14.008 1.00 0.00 C ATOM 16 CD GLU A 2 150.441 -10.532 14.769 1.00 0.00 C ATOM 17 OE1 GLU A 2 149.537 -10.913 15.541 1.00 0.00 O ATOM 18 OE2 GLU A 2 151.502 -11.169 14.591 1.00 0.00 O ATOM 0 H GLU A 2 150.235 -4.857 15.177 1.00 0.00 H new ATOM 0 HA GLU A 2 150.732 -6.793 13.211 1.00 0.00 H new ATOM 0 HB2 GLU A 2 151.178 -8.038 15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 2 149.428 -8.073 15.608 1.00 0.00 H new ATOM 0 HG2 GLU A 2 149.292 -9.271 13.478 1.00 0.00 H new ATOM 0 HG3 GLU A 2 151.025 -9.139 13.254 1.00 0.00 H new ATOM 25 N TRP A 3 148.201 -6.932 12.805 1.00 0.00 N ATOM 26 CA TRP A 3 146.819 -6.675 12.412 1.00 0.00 C ATOM 27 C TRP A 3 146.435 -7.502 11.188 1.00 0.00 C ATOM 28 O TRP A 3 145.310 -7.989 11.087 1.00 0.00 O ATOM 29 CB TRP A 3 146.618 -5.186 12.119 1.00 0.00 C ATOM 30 CG TRP A 3 145.562 -4.551 12.972 1.00 0.00 C ATOM 31 CD1 TRP A 3 145.271 -4.847 14.273 1.00 0.00 C ATOM 32 CD2 TRP A 3 144.657 -3.513 12.584 1.00 0.00 C ATOM 33 NE1 TRP A 3 144.240 -4.056 14.717 1.00 0.00 N ATOM 34 CE2 TRP A 3 143.844 -3.229 13.697 1.00 0.00 C ATOM 35 CE3 TRP A 3 144.453 -2.796 11.402 1.00 0.00 C ATOM 36 CZ2 TRP A 3 142.847 -2.258 13.664 1.00 0.00 C ATOM 37 CZ3 TRP A 3 143.461 -1.833 11.369 1.00 0.00 C ATOM 38 CH2 TRP A 3 142.669 -1.571 12.494 1.00 0.00 C ATOM 0 H TRP A 3 148.692 -7.598 12.209 1.00 0.00 H new ATOM 0 HA TRP A 3 146.174 -6.967 13.241 1.00 0.00 H new ATOM 0 HB2 TRP A 3 147.562 -4.662 12.271 1.00 0.00 H new ATOM 0 HB3 TRP A 3 146.351 -5.062 11.070 1.00 0.00 H new ATOM 0 HD1 TRP A 3 145.778 -5.594 14.866 1.00 0.00 H new ATOM 0 HE1 TRP A 3 143.835 -4.080 15.653 1.00 0.00 H new ATOM 0 HE3 TRP A 3 145.059 -2.990 10.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 142.236 -2.054 14.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 143.294 -1.274 10.460 1.00 0.00 H new ATOM 0 HH2 TRP A 3 141.903 -0.812 12.437 1.00 0.00 H new ATOM 49 N GLU A 4 147.377 -7.649 10.260 1.00 0.00 N ATOM 50 CA GLU A 4 147.150 -8.414 9.034 1.00 0.00 C ATOM 51 C GLU A 4 145.805 -8.065 8.398 1.00 0.00 C ATOM 52 O GLU A 4 145.149 -7.105 8.796 1.00 0.00 O ATOM 53 CB GLU A 4 147.238 -9.921 9.316 1.00 0.00 C ATOM 54 CG GLU A 4 146.025 -10.501 10.032 1.00 0.00 C ATOM 55 CD GLU A 4 146.282 -10.751 11.507 1.00 0.00 C ATOM 56 OE1 GLU A 4 147.111 -11.629 11.824 1.00 0.00 O ATOM 57 OE2 GLU A 4 145.651 -10.071 12.343 1.00 0.00 O ATOM 0 H GLU A 4 148.311 -7.246 10.334 1.00 0.00 H new ATOM 0 HA GLU A 4 147.932 -8.145 8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 4 147.373 -10.447 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 4 148.126 -10.114 9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 4 145.183 -9.817 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 4 145.738 -11.437 9.553 1.00 0.00 H new ATOM 64 N ILE A 5 145.408 -8.851 7.403 1.00 0.00 N ATOM 65 CA ILE A 5 144.149 -8.632 6.703 1.00 0.00 C ATOM 66 C ILE A 5 142.974 -8.560 7.678 1.00 0.00 C ATOM 67 O ILE A 5 142.963 -9.240 8.703 1.00 0.00 O ATOM 68 CB ILE A 5 143.885 -9.748 5.670 1.00 0.00 C ATOM 69 CG1 ILE A 5 142.604 -9.458 4.886 1.00 0.00 C ATOM 70 CG2 ILE A 5 143.795 -11.101 6.360 1.00 0.00 C ATOM 71 CD1 ILE A 5 142.643 -8.150 4.128 1.00 0.00 C ATOM 0 H ILE A 5 145.944 -9.649 7.062 1.00 0.00 H new ATOM 0 HA ILE A 5 144.236 -7.677 6.184 1.00 0.00 H new ATOM 0 HB ILE A 5 144.719 -9.775 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 5 142.426 -10.271 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 5 141.761 -9.444 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 5 143.609 -11.877 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 5 144.733 -11.310 6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 5 142.979 -11.087 7.083 1.00 0.00 H new ATOM 0 HD11 ILE A 5 141.702 -8.010 3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 5 142.789 -7.328 4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 5 143.465 -8.168 3.413 1.00 0.00 H new ATOM 83 N ILE A 6 141.986 -7.733 7.346 1.00 0.00 N ATOM 84 CA ILE A 6 140.804 -7.573 8.187 1.00 0.00 C ATOM 85 C ILE A 6 139.543 -7.452 7.339 1.00 0.00 C ATOM 86 O ILE A 6 138.683 -8.331 7.360 1.00 0.00 O ATOM 87 CB ILE A 6 140.919 -6.332 9.095 1.00 0.00 C ATOM 88 CG1 ILE A 6 142.261 -6.331 9.826 1.00 0.00 C ATOM 89 CG2 ILE A 6 139.768 -6.296 10.090 1.00 0.00 C ATOM 90 CD1 ILE A 6 142.566 -5.023 10.524 1.00 0.00 C ATOM 0 H ILE A 6 141.981 -7.163 6.500 1.00 0.00 H new ATOM 0 HA ILE A 6 140.738 -8.464 8.812 1.00 0.00 H new ATOM 0 HB ILE A 6 140.865 -5.439 8.473 1.00 0.00 H new ATOM 0 HG12 ILE A 6 142.266 -7.136 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 6 143.055 -6.547 9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 6 139.863 -5.415 10.724 1.00 0.00 H new ATOM 0 HG22 ILE A 6 138.822 -6.255 9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 6 139.794 -7.193 10.709 1.00 0.00 H new ATOM 0 HD11 ILE A 6 143.533 -5.093 11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 6 142.593 -4.217 9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 6 141.792 -4.816 11.263 1.00 0.00 H new ATOM 102 N GLU A 7 139.441 -6.356 6.593 1.00 0.00 N ATOM 103 CA GLU A 7 138.285 -6.121 5.737 1.00 0.00 C ATOM 104 C GLU A 7 138.639 -6.348 4.271 1.00 0.00 C ATOM 105 O GLU A 7 139.805 -6.546 3.927 1.00 0.00 O ATOM 106 CB GLU A 7 137.760 -4.697 5.931 1.00 0.00 C ATOM 107 CG GLU A 7 137.477 -4.343 7.382 1.00 0.00 C ATOM 108 CD GLU A 7 138.287 -3.156 7.864 1.00 0.00 C ATOM 109 OE1 GLU A 7 139.502 -3.110 7.578 1.00 0.00 O ATOM 110 OE2 GLU A 7 137.707 -2.272 8.529 1.00 0.00 O ATOM 0 H GLU A 7 140.144 -5.618 6.565 1.00 0.00 H new ATOM 0 HA GLU A 7 137.506 -6.830 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 7 138.489 -3.993 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 7 136.845 -4.574 5.351 1.00 0.00 H new ATOM 0 HG2 GLU A 7 136.415 -4.124 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 7 137.695 -5.206 8.011 1.00 0.00 H new ATOM 117 N ILE A 8 137.627 -6.320 3.411 1.00 0.00 N ATOM 118 CA ILE A 8 137.837 -6.523 1.982 1.00 0.00 C ATOM 119 C ILE A 8 137.026 -5.524 1.149 1.00 0.00 C ATOM 120 O ILE A 8 136.920 -5.662 -0.069 1.00 0.00 O ATOM 121 CB ILE A 8 137.464 -7.964 1.566 1.00 0.00 C ATOM 122 CG1 ILE A 8 137.919 -8.257 0.131 1.00 0.00 C ATOM 123 CG2 ILE A 8 135.966 -8.195 1.707 1.00 0.00 C ATOM 124 CD1 ILE A 8 139.351 -7.861 -0.151 1.00 0.00 C ATOM 0 H ILE A 8 136.656 -6.159 3.677 1.00 0.00 H new ATOM 0 HA ILE A 8 138.897 -6.359 1.788 1.00 0.00 H new ATOM 0 HB ILE A 8 137.983 -8.651 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 8 137.801 -9.322 -0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 8 137.263 -7.730 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 8 135.726 -9.216 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 8 135.670 -8.041 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 8 135.428 -7.494 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 8 139.598 -8.100 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 8 139.471 -6.790 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 8 140.018 -8.407 0.516 1.00 0.00 H new ATOM 136 N GLY A 9 136.456 -4.519 1.812 1.00 0.00 N ATOM 137 CA GLY A 9 135.670 -3.523 1.107 1.00 0.00 C ATOM 138 C GLY A 9 136.417 -2.215 0.923 1.00 0.00 C ATOM 139 O GLY A 9 137.216 -2.078 -0.007 1.00 0.00 O ATOM 0 H GLY A 9 136.525 -4.378 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 9 135.385 -3.915 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 9 134.748 -3.336 1.658 1.00 0.00 H new ATOM 143 N PRO A 10 136.180 -1.223 1.801 1.00 0.00 N ATOM 144 CA PRO A 10 136.847 0.082 1.718 1.00 0.00 C ATOM 145 C PRO A 10 138.352 -0.025 1.931 1.00 0.00 C ATOM 146 O PRO A 10 139.123 0.763 1.387 1.00 0.00 O ATOM 147 CB PRO A 10 136.203 0.892 2.849 1.00 0.00 C ATOM 148 CG PRO A 10 135.656 -0.126 3.789 1.00 0.00 C ATOM 149 CD PRO A 10 135.247 -1.294 2.939 1.00 0.00 C ATOM 0 HA PRO A 10 136.728 0.536 0.734 1.00 0.00 H new ATOM 0 HB2 PRO A 10 136.935 1.532 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 10 135.415 1.543 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 10 136.405 -0.421 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 10 134.805 0.271 4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 10 135.340 -2.237 3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 134.209 -1.213 2.615 1.00 0.00 H new ATOM 157 N PHE A 11 138.761 -1.004 2.731 1.00 0.00 N ATOM 158 CA PHE A 11 140.171 -1.219 3.024 1.00 0.00 C ATOM 159 C PHE A 11 140.990 -1.365 1.743 1.00 0.00 C ATOM 160 O PHE A 11 142.063 -0.775 1.611 1.00 0.00 O ATOM 161 CB PHE A 11 140.342 -2.464 3.897 1.00 0.00 C ATOM 162 CG PHE A 11 141.766 -2.735 4.295 1.00 0.00 C ATOM 163 CD1 PHE A 11 142.687 -3.182 3.360 1.00 0.00 C ATOM 164 CD2 PHE A 11 142.182 -2.543 5.603 1.00 0.00 C ATOM 165 CE1 PHE A 11 143.996 -3.433 3.724 1.00 0.00 C ATOM 166 CE2 PHE A 11 143.491 -2.793 5.971 1.00 0.00 C ATOM 167 CZ PHE A 11 144.399 -3.238 5.029 1.00 0.00 C ATOM 0 H PHE A 11 138.132 -1.663 3.189 1.00 0.00 H new ATOM 0 HA PHE A 11 140.539 -0.345 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 11 139.738 -2.351 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 11 139.954 -3.329 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 11 142.378 -3.336 2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 11 141.476 -2.194 6.343 1.00 0.00 H new ATOM 0 HE1 PHE A 11 144.704 -3.782 2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 11 143.804 -2.641 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 11 145.422 -3.433 5.314 1.00 0.00 H new ATOM 177 N THR A 12 140.480 -2.158 0.806 1.00 0.00 N ATOM 178 CA THR A 12 141.163 -2.388 -0.459 1.00 0.00 C ATOM 179 C THR A 12 141.111 -1.146 -1.348 1.00 0.00 C ATOM 180 O THR A 12 142.147 -0.556 -1.680 1.00 0.00 O ATOM 181 CB THR A 12 140.531 -3.583 -1.177 1.00 0.00 C ATOM 182 OG1 THR A 12 139.266 -3.894 -0.619 1.00 0.00 O ATOM 183 CG2 THR A 12 141.378 -4.837 -1.114 1.00 0.00 C ATOM 0 H THR A 12 139.593 -2.653 0.901 1.00 0.00 H new ATOM 0 HA THR A 12 142.211 -2.605 -0.251 1.00 0.00 H new ATOM 0 HB THR A 12 140.439 -3.276 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 12 138.689 -3.103 -0.655 1.00 0.00 H new ATOM 0 HG21 THR A 12 140.872 -5.645 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 12 142.344 -4.647 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 12 141.529 -5.122 -0.073 1.00 0.00 H new ATOM 191 N GLN A 13 139.903 -0.740 -1.725 1.00 0.00 N ATOM 192 CA GLN A 13 139.733 0.439 -2.568 1.00 0.00 C ATOM 193 C GLN A 13 140.497 1.626 -1.988 1.00 0.00 C ATOM 194 O GLN A 13 140.902 2.533 -2.716 1.00 0.00 O ATOM 195 CB GLN A 13 138.249 0.783 -2.718 1.00 0.00 C ATOM 196 CG GLN A 13 137.590 1.229 -1.424 1.00 0.00 C ATOM 197 CD GLN A 13 136.951 2.601 -1.535 1.00 0.00 C ATOM 198 OE1 GLN A 13 135.741 2.751 -1.364 1.00 0.00 O ATOM 199 NE2 GLN A 13 137.765 3.610 -1.822 1.00 0.00 N ATOM 0 H GLN A 13 139.034 -1.205 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 13 140.138 0.216 -3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 13 138.142 1.574 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 13 137.720 -0.089 -3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 13 136.831 0.501 -1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 13 138.334 1.243 -0.628 1.00 0.00 H new ATOM 0 HE21 GLN A 13 138.762 3.439 -1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 13 137.394 4.556 -1.909 1.00 0.00 H new ATOM 208 N ASN A 14 140.705 1.604 -0.671 1.00 0.00 N ATOM 209 CA ASN A 14 141.433 2.665 0.009 1.00 0.00 C ATOM 210 C ASN A 14 142.777 2.902 -0.658 1.00 0.00 C ATOM 211 O ASN A 14 143.022 3.977 -1.207 1.00 0.00 O ATOM 212 CB ASN A 14 141.632 2.310 1.485 1.00 0.00 C ATOM 213 CG ASN A 14 140.919 3.273 2.414 1.00 0.00 C ATOM 214 OD1 ASN A 14 141.295 4.440 2.527 1.00 0.00 O ATOM 215 ND2 ASN A 14 139.884 2.786 3.088 1.00 0.00 N ATOM 0 H ASN A 14 140.377 0.859 -0.056 1.00 0.00 H new ATOM 0 HA ASN A 14 140.847 3.582 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 14 141.267 1.299 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 14 142.697 2.310 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 14 139.366 3.386 3.730 1.00 0.00 H new ATOM 0 HD22 ASN A 14 139.607 1.812 2.964 1.00 0.00 H new ATOM 222 N LEU A 15 143.644 1.891 -0.626 1.00 0.00 N ATOM 223 CA LEU A 15 144.952 2.005 -1.256 1.00 0.00 C ATOM 224 C LEU A 15 144.783 2.531 -2.672 1.00 0.00 C ATOM 225 O LEU A 15 145.626 3.266 -3.181 1.00 0.00 O ATOM 226 CB LEU A 15 145.671 0.654 -1.280 1.00 0.00 C ATOM 227 CG LEU A 15 147.203 0.719 -1.283 1.00 0.00 C ATOM 228 CD1 LEU A 15 147.703 1.842 -2.180 1.00 0.00 C ATOM 229 CD2 LEU A 15 147.727 0.891 0.135 1.00 0.00 C ATOM 0 H LEU A 15 143.464 0.994 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 15 145.561 2.698 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 15 145.351 0.077 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 15 145.347 0.106 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 15 147.582 -0.221 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 15 148.793 1.864 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 15 147.360 1.673 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 15 147.315 2.795 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 15 148.816 0.936 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 15 147.333 1.814 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 15 147.408 0.046 0.746 1.00 0.00 H new ATOM 241 N GLY A 16 143.666 2.162 -3.295 1.00 0.00 N ATOM 242 CA GLY A 16 143.385 2.621 -4.641 1.00 0.00 C ATOM 243 C GLY A 16 143.374 4.134 -4.734 1.00 0.00 C ATOM 244 O GLY A 16 143.914 4.710 -5.678 1.00 0.00 O ATOM 0 H GLY A 16 142.953 1.555 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 16 144.134 2.221 -5.324 1.00 0.00 H new ATOM 0 HA3 GLY A 16 142.419 2.231 -4.963 1.00 0.00 H new ATOM 248 N LYS A 17 142.764 4.784 -3.742 1.00 0.00 N ATOM 249 CA LYS A 17 142.696 6.239 -3.720 1.00 0.00 C ATOM 250 C LYS A 17 144.095 6.838 -3.612 1.00 0.00 C ATOM 251 O LYS A 17 144.524 7.605 -4.478 1.00 0.00 O ATOM 252 CB LYS A 17 141.834 6.713 -2.547 1.00 0.00 C ATOM 253 CG LYS A 17 141.657 8.222 -2.495 1.00 0.00 C ATOM 254 CD LYS A 17 141.670 8.735 -1.064 1.00 0.00 C ATOM 255 CE LYS A 17 140.262 8.979 -0.546 1.00 0.00 C ATOM 256 NZ LYS A 17 140.107 8.545 0.870 1.00 0.00 N ATOM 0 H LYS A 17 142.314 4.326 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 17 142.242 6.575 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 17 140.853 6.242 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 17 142.287 6.376 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 17 142.454 8.703 -3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 17 140.716 8.496 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 17 142.175 8.013 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 17 142.243 9.661 -1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 17 140.024 10.039 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 17 139.548 8.442 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.133 8.729 1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 140.309 7.528 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 140.770 9.075 1.470 1.00 0.00 H new ATOM 270 N PHE A 18 144.806 6.477 -2.549 1.00 0.00 N ATOM 271 CA PHE A 18 146.159 6.973 -2.330 1.00 0.00 C ATOM 272 C PHE A 18 147.140 6.365 -3.330 1.00 0.00 C ATOM 273 O PHE A 18 148.285 6.803 -3.431 1.00 0.00 O ATOM 274 CB PHE A 18 146.611 6.670 -0.898 1.00 0.00 C ATOM 275 CG PHE A 18 146.805 7.900 -0.057 1.00 0.00 C ATOM 276 CD1 PHE A 18 147.530 8.977 -0.540 1.00 0.00 C ATOM 277 CD2 PHE A 18 146.262 7.978 1.214 1.00 0.00 C ATOM 278 CE1 PHE A 18 147.712 10.109 0.232 1.00 0.00 C ATOM 279 CE2 PHE A 18 146.439 9.107 1.991 1.00 0.00 C ATOM 280 CZ PHE A 18 147.165 10.174 1.498 1.00 0.00 C ATOM 0 H PHE A 18 144.467 5.843 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 18 146.148 8.053 -2.480 1.00 0.00 H new ATOM 0 HB2 PHE A 18 145.872 6.026 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 18 147.546 6.111 -0.931 1.00 0.00 H new ATOM 0 HD1 PHE A 18 147.958 8.932 -1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 18 145.693 7.146 1.603 1.00 0.00 H new ATOM 0 HE1 PHE A 18 148.281 10.941 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 18 146.011 9.155 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 18 147.305 11.058 2.102 1.00 0.00 H new ATOM 290 N ALA A 19 146.686 5.359 -4.066 1.00 0.00 N ATOM 291 CA ALA A 19 147.526 4.698 -5.056 1.00 0.00 C ATOM 292 C ALA A 19 147.864 5.647 -6.198 1.00 0.00 C ATOM 293 O ALA A 19 149.033 5.867 -6.506 1.00 0.00 O ATOM 294 CB ALA A 19 146.839 3.450 -5.591 1.00 0.00 C ATOM 0 H ALA A 19 145.740 4.983 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 19 148.455 4.402 -4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 19 147.481 2.969 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 19 146.650 2.759 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 19 145.894 3.727 -6.058 1.00 0.00 H new ATOM 300 N VAL A 20 146.832 6.210 -6.817 1.00 0.00 N ATOM 301 CA VAL A 20 147.025 7.138 -7.924 1.00 0.00 C ATOM 302 C VAL A 20 147.611 8.459 -7.433 1.00 0.00 C ATOM 303 O VAL A 20 148.382 9.108 -8.142 1.00 0.00 O ATOM 304 CB VAL A 20 145.701 7.413 -8.664 1.00 0.00 C ATOM 305 CG1 VAL A 20 144.684 8.056 -7.731 1.00 0.00 C ATOM 306 CG2 VAL A 20 145.942 8.289 -9.886 1.00 0.00 C ATOM 0 H VAL A 20 145.857 6.040 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 20 147.724 6.669 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 20 145.295 6.460 -9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 20 143.758 8.241 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 20 144.486 7.388 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 20 145.080 9.000 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 20 144.996 8.472 -10.395 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.375 9.239 -9.573 1.00 0.00 H new ATOM 0 HG23 VAL A 20 146.628 7.784 -10.566 1.00 0.00 H new ATOM 316 N ASP A 21 147.243 8.853 -6.218 1.00 0.00 N ATOM 317 CA ASP A 21 147.737 10.098 -5.639 1.00 0.00 C ATOM 318 C ASP A 21 149.210 9.981 -5.264 1.00 0.00 C ATOM 319 O ASP A 21 149.947 10.967 -5.301 1.00 0.00 O ATOM 320 CB ASP A 21 146.913 10.473 -4.406 1.00 0.00 C ATOM 321 CG ASP A 21 146.852 11.972 -4.184 1.00 0.00 C ATOM 322 OD1 ASP A 21 146.423 12.692 -5.110 1.00 0.00 O ATOM 323 OD2 ASP A 21 147.234 12.425 -3.085 1.00 0.00 O ATOM 0 H ASP A 21 146.606 8.330 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 21 147.635 10.882 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 21 145.901 10.084 -4.517 1.00 0.00 H new ATOM 0 HB3 ASP A 21 147.344 9.996 -3.526 1.00 0.00 H new ATOM 328 N GLU A 22 149.637 8.774 -4.908 1.00 0.00 N ATOM 329 CA GLU A 22 151.028 8.543 -4.532 1.00 0.00 C ATOM 330 C GLU A 22 151.789 7.820 -5.641 1.00 0.00 C ATOM 331 O GLU A 22 153.009 7.678 -5.573 1.00 0.00 O ATOM 332 CB GLU A 22 151.106 7.742 -3.231 1.00 0.00 C ATOM 333 CG GLU A 22 152.121 8.293 -2.242 1.00 0.00 C ATOM 334 CD GLU A 22 151.513 8.593 -0.886 1.00 0.00 C ATOM 335 OE1 GLU A 22 150.578 9.418 -0.824 1.00 0.00 O ATOM 336 OE2 GLU A 22 151.974 8.002 0.113 1.00 0.00 O ATOM 0 H GLU A 22 149.044 7.945 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 22 151.496 9.515 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 22 150.122 7.729 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 22 151.361 6.708 -3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 22 152.932 7.574 -2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 22 152.560 9.204 -2.648 1.00 0.00 H new ATOM 343 N GLU A 23 151.071 7.373 -6.671 1.00 0.00 N ATOM 344 CA GLU A 23 151.698 6.680 -7.792 1.00 0.00 C ATOM 345 C GLU A 23 152.853 7.507 -8.350 1.00 0.00 C ATOM 346 O GLU A 23 153.801 6.969 -8.921 1.00 0.00 O ATOM 347 CB GLU A 23 150.667 6.415 -8.895 1.00 0.00 C ATOM 348 CG GLU A 23 151.259 5.814 -10.161 1.00 0.00 C ATOM 349 CD GLU A 23 151.699 6.871 -11.154 1.00 0.00 C ATOM 350 OE1 GLU A 23 150.832 7.624 -11.643 1.00 0.00 O ATOM 351 OE2 GLU A 23 152.913 6.946 -11.442 1.00 0.00 O ATOM 0 H GLU A 23 150.060 7.478 -6.751 1.00 0.00 H new ATOM 0 HA GLU A 23 152.088 5.727 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 23 149.901 5.742 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 23 150.170 7.352 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 23 152.113 5.189 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 23 150.521 5.164 -10.630 1.00 0.00 H new ATOM 358 N ASN A 24 152.757 8.819 -8.177 1.00 0.00 N ATOM 359 CA ASN A 24 153.781 9.738 -8.655 1.00 0.00 C ATOM 360 C ASN A 24 155.074 9.605 -7.850 1.00 0.00 C ATOM 361 O ASN A 24 156.133 10.052 -8.290 1.00 0.00 O ATOM 362 CB ASN A 24 153.261 11.175 -8.584 1.00 0.00 C ATOM 363 CG ASN A 24 152.453 11.559 -9.807 1.00 0.00 C ATOM 364 OD1 ASN A 24 151.427 10.769 -10.112 1.00 0.00 O flip ATOM 365 ND2 ASN A 24 152.743 12.553 -10.472 1.00 0.00 N flip ATOM 0 H ASN A 24 151.974 9.273 -7.706 1.00 0.00 H new ATOM 0 HA ASN A 24 154.008 9.484 -9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 24 152.644 11.291 -7.693 1.00 0.00 H new ATOM 0 HB3 ASN A 24 154.104 11.858 -8.480 1.00 0.00 H new ATOM 0 HD21 ASN A 24 153.538 13.132 -10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 24 152.188 12.798 -11.292 1.00 0.00 H new ATOM 372 N LYS A 25 154.988 8.992 -6.669 1.00 0.00 N ATOM 373 CA LYS A 25 156.164 8.813 -5.820 1.00 0.00 C ATOM 374 C LYS A 25 157.072 7.712 -6.367 1.00 0.00 C ATOM 375 O LYS A 25 158.051 7.996 -7.058 1.00 0.00 O ATOM 376 CB LYS A 25 155.747 8.493 -4.379 1.00 0.00 C ATOM 377 CG LYS A 25 156.071 9.606 -3.395 1.00 0.00 C ATOM 378 CD LYS A 25 156.569 9.051 -2.070 1.00 0.00 C ATOM 379 CE LYS A 25 157.170 10.144 -1.200 1.00 0.00 C ATOM 380 NZ LYS A 25 158.592 10.416 -1.549 1.00 0.00 N ATOM 0 H LYS A 25 154.123 8.614 -6.282 1.00 0.00 H new ATOM 0 HA LYS A 25 156.724 9.748 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 25 154.675 8.297 -4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 25 156.246 7.578 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 25 156.828 10.263 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 25 155.182 10.213 -3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 25 155.744 8.575 -1.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 157.316 8.279 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 156.588 11.058 -1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 25 157.103 9.851 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 159.018 11.025 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 159.115 9.519 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 158.638 10.894 -2.471 1.00 0.00 H new ATOM 394 N ILE A 26 156.745 6.455 -6.056 1.00 0.00 N ATOM 395 CA ILE A 26 157.536 5.316 -6.520 1.00 0.00 C ATOM 396 C ILE A 26 157.940 5.471 -7.987 1.00 0.00 C ATOM 397 O ILE A 26 159.052 5.111 -8.375 1.00 0.00 O ATOM 398 CB ILE A 26 156.757 3.995 -6.345 1.00 0.00 C ATOM 399 CG1 ILE A 26 157.663 2.787 -6.625 1.00 0.00 C ATOM 400 CG2 ILE A 26 155.521 3.980 -7.237 1.00 0.00 C ATOM 401 CD1 ILE A 26 157.972 2.561 -8.092 1.00 0.00 C ATOM 0 H ILE A 26 155.938 6.202 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 26 158.439 5.288 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 26 156.423 3.925 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 26 158.601 2.919 -6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 26 157.188 1.892 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 26 154.985 3.041 -7.100 1.00 0.00 H new ATOM 0 HG22 ILE A 26 154.870 4.812 -6.970 1.00 0.00 H new ATOM 0 HG23 ILE A 26 155.824 4.076 -8.280 1.00 0.00 H new ATOM 0 HD11 ILE A 26 158.617 1.689 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 26 157.043 2.394 -8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 26 158.478 3.438 -8.496 1.00 0.00 H new ATOM 413 N GLY A 27 157.031 6.006 -8.795 1.00 0.00 N ATOM 414 CA GLY A 27 157.313 6.196 -10.207 1.00 0.00 C ATOM 415 C GLY A 27 157.750 7.612 -10.529 1.00 0.00 C ATOM 416 O GLY A 27 157.394 8.554 -9.822 1.00 0.00 O ATOM 0 H GLY A 27 156.104 6.312 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 27 158.093 5.500 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 27 156.423 5.954 -10.787 1.00 0.00 H new ATOM 420 N GLN A 28 158.523 7.760 -11.600 1.00 0.00 N ATOM 421 CA GLN A 28 159.008 9.072 -12.016 1.00 0.00 C ATOM 422 C GLN A 28 157.876 9.909 -12.600 1.00 0.00 C ATOM 423 O GLN A 28 157.698 11.073 -12.237 1.00 0.00 O ATOM 424 CB GLN A 28 160.129 8.921 -13.046 1.00 0.00 C ATOM 425 CG GLN A 28 161.506 8.750 -12.426 1.00 0.00 C ATOM 426 CD GLN A 28 162.416 7.873 -13.261 1.00 0.00 C ATOM 427 OE1 GLN A 28 162.033 6.778 -13.676 1.00 0.00 O ATOM 428 NE2 GLN A 28 163.630 8.349 -13.512 1.00 0.00 N ATOM 0 H GLN A 28 158.827 6.989 -12.195 1.00 0.00 H new ATOM 0 HA GLN A 28 159.398 9.584 -11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 28 159.915 8.060 -13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 28 160.137 9.798 -13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 28 161.967 9.729 -12.299 1.00 0.00 H new ATOM 0 HG3 GLN A 28 161.401 8.316 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 28 163.905 9.261 -13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 28 164.287 7.802 -14.069 1.00 0.00 H new ATOM 437 N TYR A 29 157.112 9.308 -13.505 1.00 0.00 N ATOM 438 CA TYR A 29 155.993 9.996 -14.142 1.00 0.00 C ATOM 439 C TYR A 29 154.667 9.367 -13.729 1.00 0.00 C ATOM 440 O TYR A 29 154.571 8.151 -13.558 1.00 0.00 O ATOM 441 CB TYR A 29 156.140 9.954 -15.664 1.00 0.00 C ATOM 442 CG TYR A 29 155.587 11.176 -16.361 1.00 0.00 C ATOM 443 CD1 TYR A 29 154.222 11.429 -16.380 1.00 0.00 C ATOM 444 CD2 TYR A 29 156.431 12.076 -16.999 1.00 0.00 C ATOM 445 CE1 TYR A 29 153.712 12.545 -17.015 1.00 0.00 C ATOM 446 CE2 TYR A 29 155.929 13.196 -17.636 1.00 0.00 C ATOM 447 CZ TYR A 29 154.569 13.425 -17.642 1.00 0.00 C ATOM 448 OH TYR A 29 154.064 14.538 -18.276 1.00 0.00 O ATOM 0 H TYR A 29 157.246 8.346 -13.815 1.00 0.00 H new ATOM 0 HA TYR A 29 156.001 11.035 -13.814 1.00 0.00 H new ATOM 0 HB2 TYR A 29 157.195 9.849 -15.916 1.00 0.00 H new ATOM 0 HB3 TYR A 29 155.632 9.068 -16.045 1.00 0.00 H new ATOM 0 HD1 TYR A 29 153.548 10.742 -15.890 1.00 0.00 H new ATOM 0 HD2 TYR A 29 157.496 11.898 -16.998 1.00 0.00 H new ATOM 0 HE1 TYR A 29 152.648 12.727 -17.020 1.00 0.00 H new ATOM 0 HE2 TYR A 29 156.598 13.888 -18.126 1.00 0.00 H new ATOM 0 HH TYR A 29 154.800 15.054 -18.666 1.00 0.00 H new ATOM 458 N GLY A 30 153.646 10.202 -13.567 1.00 0.00 N ATOM 459 CA GLY A 30 152.339 9.707 -13.175 1.00 0.00 C ATOM 460 C GLY A 30 151.400 9.545 -14.353 1.00 0.00 C ATOM 461 O GLY A 30 151.437 10.333 -15.297 1.00 0.00 O ATOM 0 H GLY A 30 153.700 11.212 -13.700 1.00 0.00 H new ATOM 0 HA2 GLY A 30 152.454 8.747 -12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 30 151.896 10.394 -12.454 1.00 0.00 H new ATOM 465 N ARG A 31 150.556 8.518 -14.300 1.00 0.00 N ATOM 466 CA ARG A 31 149.605 8.259 -15.375 1.00 0.00 C ATOM 467 C ARG A 31 148.321 7.636 -14.829 1.00 0.00 C ATOM 468 O ARG A 31 148.067 7.673 -13.625 1.00 0.00 O ATOM 469 CB ARG A 31 150.236 7.340 -16.427 1.00 0.00 C ATOM 470 CG ARG A 31 150.473 5.921 -15.936 1.00 0.00 C ATOM 471 CD ARG A 31 150.795 4.981 -17.088 1.00 0.00 C ATOM 472 NE ARG A 31 151.293 3.689 -16.619 1.00 0.00 N ATOM 473 CZ ARG A 31 151.962 2.831 -17.385 1.00 0.00 C ATOM 474 NH1 ARG A 31 152.215 3.122 -18.656 1.00 0.00 N ATOM 475 NH2 ARG A 31 152.379 1.677 -16.880 1.00 0.00 N ATOM 0 H ARG A 31 150.512 7.854 -13.527 1.00 0.00 H new ATOM 0 HA ARG A 31 149.349 9.210 -15.843 1.00 0.00 H new ATOM 0 HB2 ARG A 31 149.589 7.308 -17.304 1.00 0.00 H new ATOM 0 HB3 ARG A 31 151.186 7.768 -16.747 1.00 0.00 H new ATOM 0 HG2 ARG A 31 151.294 5.915 -15.219 1.00 0.00 H new ATOM 0 HG3 ARG A 31 149.588 5.564 -15.410 1.00 0.00 H new ATOM 0 HD2 ARG A 31 149.900 4.827 -17.691 1.00 0.00 H new ATOM 0 HD3 ARG A 31 151.540 5.443 -17.735 1.00 0.00 H new ATOM 0 HE ARG A 31 151.117 3.430 -15.648 1.00 0.00 H new ATOM 0 HH11 ARG A 31 151.896 4.007 -19.050 1.00 0.00 H new ATOM 0 HH12 ARG A 31 152.728 2.460 -19.238 1.00 0.00 H new ATOM 0 HH21 ARG A 31 152.187 1.448 -15.905 1.00 0.00 H new ATOM 0 HH22 ARG A 31 152.892 1.019 -17.467 1.00 0.00 H new ATOM 489 N LEU A 32 147.514 7.067 -15.720 1.00 0.00 N ATOM 490 CA LEU A 32 146.260 6.439 -15.322 1.00 0.00 C ATOM 491 C LEU A 32 146.522 5.160 -14.536 1.00 0.00 C ATOM 492 O LEU A 32 147.325 4.321 -14.944 1.00 0.00 O ATOM 493 CB LEU A 32 145.404 6.133 -16.553 1.00 0.00 C ATOM 494 CG LEU A 32 143.966 5.707 -16.251 1.00 0.00 C ATOM 495 CD1 LEU A 32 143.025 6.187 -17.344 1.00 0.00 C ATOM 496 CD2 LEU A 32 143.882 4.196 -16.098 1.00 0.00 C ATOM 0 H LEU A 32 147.707 7.028 -16.721 1.00 0.00 H new ATOM 0 HA LEU A 32 145.720 7.135 -14.680 1.00 0.00 H new ATOM 0 HB2 LEU A 32 145.379 7.018 -17.189 1.00 0.00 H new ATOM 0 HB3 LEU A 32 145.888 5.343 -17.126 1.00 0.00 H new ATOM 0 HG LEU A 32 143.660 6.167 -15.311 1.00 0.00 H new ATOM 0 HD11 LEU A 32 142.007 5.874 -17.111 1.00 0.00 H new ATOM 0 HD12 LEU A 32 143.065 7.274 -17.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 143.327 5.757 -18.299 1.00 0.00 H new ATOM 0 HD21 LEU A 32 142.853 3.909 -15.883 1.00 0.00 H new ATOM 0 HD22 LEU A 32 144.207 3.718 -17.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 144.526 3.877 -15.279 1.00 0.00 H new ATOM 508 N THR A 33 145.843 5.022 -13.402 1.00 0.00 N ATOM 509 CA THR A 33 146.007 3.848 -12.553 1.00 0.00 C ATOM 510 C THR A 33 144.744 3.587 -11.730 1.00 0.00 C ATOM 511 O THR A 33 144.800 2.957 -10.674 1.00 0.00 O ATOM 512 CB THR A 33 147.200 4.050 -11.615 1.00 0.00 C ATOM 513 OG1 THR A 33 148.369 4.367 -12.350 1.00 0.00 O ATOM 514 CG2 THR A 33 147.509 2.842 -10.755 1.00 0.00 C ATOM 0 H THR A 33 145.175 5.708 -13.050 1.00 0.00 H new ATOM 0 HA THR A 33 146.186 2.984 -13.193 1.00 0.00 H new ATOM 0 HB THR A 33 146.909 4.871 -10.959 1.00 0.00 H new ATOM 0 HG1 THR A 33 149.157 4.037 -11.870 1.00 0.00 H new ATOM 0 HG21 THR A 33 148.366 3.059 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 33 146.645 2.607 -10.134 1.00 0.00 H new ATOM 0 HG23 THR A 33 147.740 1.990 -11.394 1.00 0.00 H new ATOM 522 N PHE A 34 143.605 4.079 -12.213 1.00 0.00 N ATOM 523 CA PHE A 34 142.341 3.899 -11.509 1.00 0.00 C ATOM 524 C PHE A 34 141.479 2.836 -12.184 1.00 0.00 C ATOM 525 O PHE A 34 140.407 3.130 -12.714 1.00 0.00 O ATOM 526 CB PHE A 34 141.578 5.224 -11.437 1.00 0.00 C ATOM 527 CG PHE A 34 140.798 5.394 -10.164 1.00 0.00 C ATOM 528 CD1 PHE A 34 139.493 4.941 -10.070 1.00 0.00 C ATOM 529 CD2 PHE A 34 141.373 6.007 -9.061 1.00 0.00 C ATOM 530 CE1 PHE A 34 138.773 5.094 -8.901 1.00 0.00 C ATOM 531 CE2 PHE A 34 140.659 6.161 -7.889 1.00 0.00 C ATOM 532 CZ PHE A 34 139.358 5.705 -7.809 1.00 0.00 C ATOM 0 H PHE A 34 143.533 4.603 -13.085 1.00 0.00 H new ATOM 0 HA PHE A 34 142.567 3.562 -10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 34 142.285 6.048 -11.534 1.00 0.00 H new ATOM 0 HB3 PHE A 34 140.895 5.288 -12.284 1.00 0.00 H new ATOM 0 HD1 PHE A 34 139.032 4.462 -10.921 1.00 0.00 H new ATOM 0 HD2 PHE A 34 142.389 6.368 -9.119 1.00 0.00 H new ATOM 0 HE1 PHE A 34 137.756 4.737 -8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 34 141.118 6.638 -7.035 1.00 0.00 H new ATOM 0 HZ PHE A 34 138.798 5.826 -6.893 1.00 0.00 H new ATOM 542 N ASN A 35 141.953 1.595 -12.155 1.00 0.00 N ATOM 543 CA ASN A 35 141.228 0.482 -12.759 1.00 0.00 C ATOM 544 C ASN A 35 140.474 -0.318 -11.697 1.00 0.00 C ATOM 545 O ASN A 35 139.266 -0.156 -11.528 1.00 0.00 O ATOM 546 CB ASN A 35 142.193 -0.429 -13.525 1.00 0.00 C ATOM 547 CG ASN A 35 141.915 -0.439 -15.016 1.00 0.00 C ATOM 548 OD1 ASN A 35 142.006 0.593 -15.683 1.00 0.00 O ATOM 549 ND2 ASN A 35 141.577 -1.608 -15.547 1.00 0.00 N ATOM 0 H ASN A 35 142.837 1.334 -11.719 1.00 0.00 H new ATOM 0 HA ASN A 35 140.499 0.891 -13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 35 143.217 -0.098 -13.351 1.00 0.00 H new ATOM 0 HB3 ASN A 35 142.116 -1.445 -13.137 1.00 0.00 H new ATOM 0 HD21 ASN A 35 141.381 -1.677 -16.546 1.00 0.00 H new ATOM 0 HD22 ASN A 35 141.514 -2.437 -14.956 1.00 0.00 H new ATOM 556 N LYS A 36 141.193 -1.185 -10.987 1.00 0.00 N ATOM 557 CA LYS A 36 140.586 -2.009 -9.945 1.00 0.00 C ATOM 558 C LYS A 36 141.575 -2.274 -8.812 1.00 0.00 C ATOM 559 O LYS A 36 142.378 -3.202 -8.879 1.00 0.00 O ATOM 560 CB LYS A 36 140.100 -3.335 -10.533 1.00 0.00 C ATOM 561 CG LYS A 36 138.888 -3.190 -11.439 1.00 0.00 C ATOM 562 CD LYS A 36 139.278 -3.233 -12.907 1.00 0.00 C ATOM 563 CE LYS A 36 138.065 -3.440 -13.801 1.00 0.00 C ATOM 564 NZ LYS A 36 137.555 -4.837 -13.731 1.00 0.00 N ATOM 0 H LYS A 36 142.194 -1.335 -11.114 1.00 0.00 H new ATOM 0 HA LYS A 36 139.734 -1.465 -9.538 1.00 0.00 H new ATOM 0 HB2 LYS A 36 140.913 -3.792 -11.097 1.00 0.00 H new ATOM 0 HB3 LYS A 36 139.855 -4.016 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 36 138.177 -3.989 -11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 36 138.383 -2.248 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 36 139.777 -2.303 -13.179 1.00 0.00 H new ATOM 0 HD3 LYS A 36 139.994 -4.039 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 36 137.275 -2.750 -13.506 1.00 0.00 H new ATOM 0 HE3 LYS A 36 138.328 -3.201 -14.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 136.879 -4.999 -14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 138.350 -5.502 -13.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 137.079 -4.988 -12.819 1.00 0.00 H new ATOM 578 N VAL A 37 141.513 -1.453 -7.772 1.00 0.00 N ATOM 579 CA VAL A 37 142.407 -1.602 -6.630 1.00 0.00 C ATOM 580 C VAL A 37 141.767 -2.448 -5.533 1.00 0.00 C ATOM 581 O VAL A 37 140.977 -1.943 -4.735 1.00 0.00 O ATOM 582 CB VAL A 37 142.799 -0.226 -6.051 1.00 0.00 C ATOM 583 CG1 VAL A 37 143.512 -0.377 -4.713 1.00 0.00 C ATOM 584 CG2 VAL A 37 143.660 0.542 -7.045 1.00 0.00 C ATOM 0 H VAL A 37 140.854 -0.678 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 37 143.304 -2.108 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 37 141.886 0.344 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 37 143.776 0.608 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 37 142.853 -0.878 -4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 37 144.417 -0.969 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 37 143.928 1.510 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 37 144.566 -0.026 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 37 143.102 0.692 -7.970 1.00 0.00 H new ATOM 594 N ILE A 38 142.116 -3.733 -5.490 1.00 0.00 N ATOM 595 CA ILE A 38 141.569 -4.631 -4.481 1.00 0.00 C ATOM 596 C ILE A 38 142.474 -5.863 -4.258 1.00 0.00 C ATOM 597 O ILE A 38 143.667 -5.715 -3.960 1.00 0.00 O ATOM 598 CB ILE A 38 140.134 -5.072 -4.860 1.00 0.00 C ATOM 599 CG1 ILE A 38 140.112 -5.654 -6.274 1.00 0.00 C ATOM 600 CG2 ILE A 38 139.168 -3.902 -4.754 1.00 0.00 C ATOM 601 CD1 ILE A 38 139.113 -6.776 -6.451 1.00 0.00 C ATOM 0 H ILE A 38 142.771 -4.171 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 38 141.528 -4.079 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 38 139.816 -5.845 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 38 139.881 -4.858 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 38 141.107 -6.022 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 38 138.165 -4.233 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 38 139.163 -3.526 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 38 139.483 -3.108 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 38 139.153 -7.140 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 38 139.355 -7.590 -5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 38 138.110 -6.408 -6.235 1.00 0.00 H new ATOM 613 N LYS A 39 141.906 -7.072 -4.395 1.00 0.00 N ATOM 614 CA LYS A 39 142.651 -8.315 -4.211 1.00 0.00 C ATOM 615 C LYS A 39 143.043 -8.530 -2.750 1.00 0.00 C ATOM 616 O LYS A 39 142.957 -7.616 -1.931 1.00 0.00 O ATOM 617 CB LYS A 39 143.893 -8.335 -5.101 1.00 0.00 C ATOM 618 CG LYS A 39 143.737 -9.198 -6.343 1.00 0.00 C ATOM 619 CD LYS A 39 143.031 -8.446 -7.461 1.00 0.00 C ATOM 620 CE LYS A 39 143.728 -8.650 -8.797 1.00 0.00 C ATOM 621 NZ LYS A 39 143.791 -10.087 -9.179 1.00 0.00 N ATOM 0 H LYS A 39 140.924 -7.209 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 39 141.994 -9.134 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 39 144.129 -7.315 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 39 144.740 -8.699 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 39 144.719 -9.524 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 39 143.172 -10.096 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 39 141.998 -8.785 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 39 143.002 -7.383 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 39 143.200 -8.092 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 39 144.738 -8.244 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 144.149 -10.172 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 144.428 -10.591 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 142.840 -10.503 -9.123 1.00 0.00 H new ATOM 635 N PRO A 40 143.477 -9.761 -2.411 1.00 0.00 N ATOM 636 CA PRO A 40 143.882 -10.118 -1.047 1.00 0.00 C ATOM 637 C PRO A 40 144.838 -9.104 -0.431 1.00 0.00 C ATOM 638 O PRO A 40 146.057 -9.243 -0.530 1.00 0.00 O ATOM 639 CB PRO A 40 144.579 -11.465 -1.229 1.00 0.00 C ATOM 640 CG PRO A 40 143.937 -12.058 -2.434 1.00 0.00 C ATOM 641 CD PRO A 40 143.600 -10.903 -3.337 1.00 0.00 C ATOM 0 HA PRO A 40 143.030 -10.147 -0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 40 145.652 -11.340 -1.372 1.00 0.00 H new ATOM 0 HB3 PRO A 40 144.446 -12.102 -0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 40 144.610 -12.757 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 40 143.041 -12.616 -2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 40 144.380 -10.734 -4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 40 142.673 -11.078 -3.882 1.00 0.00 H new ATOM 649 N CYS A 41 144.273 -8.086 0.203 1.00 0.00 N ATOM 650 CA CYS A 41 145.069 -7.042 0.837 1.00 0.00 C ATOM 651 C CYS A 41 145.553 -7.478 2.218 1.00 0.00 C ATOM 652 O CYS A 41 145.325 -8.613 2.638 1.00 0.00 O ATOM 653 CB CYS A 41 144.250 -5.758 0.957 1.00 0.00 C ATOM 654 SG CYS A 41 142.686 -5.957 1.839 1.00 0.00 S ATOM 0 H CYS A 41 143.265 -7.960 0.293 1.00 0.00 H new ATOM 0 HA CYS A 41 145.942 -6.858 0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 41 144.849 -5.005 1.468 1.00 0.00 H new ATOM 0 HB3 CYS A 41 144.044 -5.377 -0.043 1.00 0.00 H new ATOM 0 HG CYS A 41 142.561 -5.009 2.719 1.00 0.00 H new ATOM 660 N MET A 42 146.223 -6.566 2.920 1.00 0.00 N ATOM 661 CA MET A 42 146.741 -6.851 4.253 1.00 0.00 C ATOM 662 C MET A 42 147.405 -5.616 4.857 1.00 0.00 C ATOM 663 O MET A 42 147.969 -4.790 4.139 1.00 0.00 O ATOM 664 CB MET A 42 147.742 -8.008 4.198 1.00 0.00 C ATOM 665 CG MET A 42 148.321 -8.377 5.555 1.00 0.00 C ATOM 666 SD MET A 42 149.675 -9.559 5.433 1.00 0.00 S ATOM 667 CE MET A 42 148.997 -10.735 4.266 1.00 0.00 C ATOM 0 H MET A 42 146.419 -5.623 2.586 1.00 0.00 H new ATOM 0 HA MET A 42 145.902 -7.135 4.887 1.00 0.00 H new ATOM 0 HB2 MET A 42 147.251 -8.883 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 42 148.557 -7.741 3.525 1.00 0.00 H new ATOM 0 HG2 MET A 42 148.676 -7.474 6.052 1.00 0.00 H new ATOM 0 HG3 MET A 42 147.533 -8.796 6.180 1.00 0.00 H new ATOM 0 HE1 MET A 42 149.532 -11.681 4.350 1.00 0.00 H new ATOM 0 HE2 MET A 42 147.941 -10.895 4.483 1.00 0.00 H new ATOM 0 HE3 MET A 42 149.105 -10.346 3.253 1.00 0.00 H new ATOM 677 N LYS A 43 147.334 -5.496 6.179 1.00 0.00 N ATOM 678 CA LYS A 43 147.928 -4.361 6.880 1.00 0.00 C ATOM 679 C LYS A 43 148.781 -4.833 8.055 1.00 0.00 C ATOM 680 O LYS A 43 148.832 -6.025 8.359 1.00 0.00 O ATOM 681 CB LYS A 43 146.834 -3.411 7.378 1.00 0.00 C ATOM 682 CG LYS A 43 146.874 -2.039 6.722 1.00 0.00 C ATOM 683 CD LYS A 43 147.437 -0.985 7.663 1.00 0.00 C ATOM 684 CE LYS A 43 146.334 -0.243 8.400 1.00 0.00 C ATOM 685 NZ LYS A 43 146.272 -0.626 9.837 1.00 0.00 N ATOM 0 H LYS A 43 146.871 -6.171 6.788 1.00 0.00 H new ATOM 0 HA LYS A 43 148.570 -3.829 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 43 145.860 -3.864 7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 43 146.932 -3.292 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 147.483 -2.084 5.819 1.00 0.00 H new ATOM 0 HG3 LYS A 43 145.868 -1.753 6.414 1.00 0.00 H new ATOM 0 HD2 LYS A 43 148.102 -1.459 8.385 1.00 0.00 H new ATOM 0 HD3 LYS A 43 148.038 -0.274 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 43 146.501 0.831 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 43 145.375 -0.454 7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 145.891 0.167 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 145.654 -1.455 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 147.227 -0.858 10.176 1.00 0.00 H new ATOM 699 N LYS A 44 149.450 -3.889 8.710 1.00 0.00 N ATOM 700 CA LYS A 44 150.300 -4.205 9.852 1.00 0.00 C ATOM 701 C LYS A 44 150.605 -2.949 10.662 1.00 0.00 C ATOM 702 O LYS A 44 151.623 -2.294 10.448 1.00 0.00 O ATOM 703 CB LYS A 44 151.603 -4.854 9.382 1.00 0.00 C ATOM 704 CG LYS A 44 151.566 -6.375 9.404 1.00 0.00 C ATOM 705 CD LYS A 44 151.996 -6.969 8.069 1.00 0.00 C ATOM 706 CE LYS A 44 153.348 -7.656 8.171 1.00 0.00 C ATOM 707 NZ LYS A 44 154.336 -6.833 8.923 1.00 0.00 N ATOM 0 H LYS A 44 149.420 -2.898 8.469 1.00 0.00 H new ATOM 0 HA LYS A 44 149.765 -4.908 10.490 1.00 0.00 H new ATOM 0 HB2 LYS A 44 151.822 -4.518 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 44 152.420 -4.509 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 44 152.221 -6.743 10.194 1.00 0.00 H new ATOM 0 HG3 LYS A 44 150.557 -6.711 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 44 151.248 -7.686 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 44 152.044 -6.181 7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 44 153.228 -8.620 8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 44 153.730 -7.856 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 155.290 -7.005 8.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 154.099 -5.826 8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 154.310 -7.093 9.930 1.00 0.00 H new ATOM 721 N THR A 45 149.709 -2.613 11.586 1.00 0.00 N ATOM 722 CA THR A 45 149.869 -1.438 12.421 1.00 0.00 C ATOM 723 C THR A 45 150.910 -1.673 13.514 1.00 0.00 C ATOM 724 O THR A 45 151.076 -2.793 13.997 1.00 0.00 O ATOM 725 CB THR A 45 148.529 -1.050 13.050 1.00 0.00 C ATOM 726 OG1 THR A 45 147.494 -1.089 12.083 1.00 0.00 O ATOM 727 CG2 THR A 45 148.532 0.333 13.664 1.00 0.00 C ATOM 0 H THR A 45 148.860 -3.146 11.772 1.00 0.00 H new ATOM 0 HA THR A 45 150.219 -0.622 11.788 1.00 0.00 H new ATOM 0 HB THR A 45 148.359 -1.779 13.842 1.00 0.00 H new ATOM 0 HG1 THR A 45 146.644 -0.840 12.503 1.00 0.00 H new ATOM 0 HG21 THR A 45 147.552 0.543 14.091 1.00 0.00 H new ATOM 0 HG22 THR A 45 149.288 0.381 14.448 1.00 0.00 H new ATOM 0 HG23 THR A 45 148.759 1.072 12.895 1.00 0.00 H new ATOM 735 N ILE A 46 151.609 -0.607 13.899 1.00 0.00 N ATOM 736 CA ILE A 46 152.633 -0.698 14.938 1.00 0.00 C ATOM 737 C ILE A 46 152.567 0.499 15.879 1.00 0.00 C ATOM 738 O ILE A 46 153.272 1.489 15.691 1.00 0.00 O ATOM 739 CB ILE A 46 154.050 -0.785 14.332 1.00 0.00 C ATOM 740 CG1 ILE A 46 154.174 -2.020 13.445 1.00 0.00 C ATOM 741 CG2 ILE A 46 155.105 -0.811 15.431 1.00 0.00 C ATOM 742 CD1 ILE A 46 153.780 -1.769 12.009 1.00 0.00 C ATOM 0 H ILE A 46 151.486 0.327 13.509 1.00 0.00 H new ATOM 0 HA ILE A 46 152.432 -1.611 15.499 1.00 0.00 H new ATOM 0 HB ILE A 46 154.216 0.101 13.719 1.00 0.00 H new ATOM 0 HG12 ILE A 46 155.203 -2.377 13.474 1.00 0.00 H new ATOM 0 HG13 ILE A 46 153.549 -2.815 13.852 1.00 0.00 H new ATOM 0 HG21 ILE A 46 156.096 -0.873 14.982 1.00 0.00 H new ATOM 0 HG22 ILE A 46 155.032 0.099 16.027 1.00 0.00 H new ATOM 0 HG23 ILE A 46 154.942 -1.678 16.071 1.00 0.00 H new ATOM 0 HD11 ILE A 46 153.892 -2.689 11.435 1.00 0.00 H new ATOM 0 HD12 ILE A 46 152.741 -1.440 11.969 1.00 0.00 H new ATOM 0 HD13 ILE A 46 154.422 -0.996 11.585 1.00 0.00 H new ATOM 754 N TYR A 47 151.724 0.400 16.897 1.00 0.00 N ATOM 755 CA TYR A 47 151.580 1.478 17.868 1.00 0.00 C ATOM 756 C TYR A 47 152.212 1.095 19.201 1.00 0.00 C ATOM 757 O TYR A 47 152.132 -0.056 19.629 1.00 0.00 O ATOM 758 CB TYR A 47 150.103 1.824 18.068 1.00 0.00 C ATOM 759 CG TYR A 47 149.284 0.680 18.621 1.00 0.00 C ATOM 760 CD1 TYR A 47 148.823 -0.334 17.792 1.00 0.00 C ATOM 761 CD2 TYR A 47 148.972 0.615 19.973 1.00 0.00 C ATOM 762 CE1 TYR A 47 148.074 -1.381 18.294 1.00 0.00 C ATOM 763 CE2 TYR A 47 148.223 -0.429 20.484 1.00 0.00 C ATOM 764 CZ TYR A 47 147.776 -1.425 19.640 1.00 0.00 C ATOM 765 OH TYR A 47 147.030 -2.466 20.143 1.00 0.00 O ATOM 0 H TYR A 47 151.131 -0.411 17.073 1.00 0.00 H new ATOM 0 HA TYR A 47 152.098 2.355 17.479 1.00 0.00 H new ATOM 0 HB2 TYR A 47 150.026 2.675 18.744 1.00 0.00 H new ATOM 0 HB3 TYR A 47 149.679 2.136 17.114 1.00 0.00 H new ATOM 0 HD1 TYR A 47 149.054 -0.304 16.737 1.00 0.00 H new ATOM 0 HD2 TYR A 47 149.320 1.393 20.636 1.00 0.00 H new ATOM 0 HE1 TYR A 47 147.723 -2.162 17.635 1.00 0.00 H new ATOM 0 HE2 TYR A 47 147.989 -0.465 21.538 1.00 0.00 H new ATOM 0 HH TYR A 47 146.911 -2.347 21.108 1.00 0.00 H new ATOM 775 N GLU A 48 152.841 2.068 19.850 1.00 0.00 N ATOM 776 CA GLU A 48 153.488 1.831 21.133 1.00 0.00 C ATOM 777 C GLU A 48 152.461 1.722 22.251 1.00 0.00 C ATOM 778 O GLU A 48 152.101 0.625 22.680 1.00 0.00 O ATOM 779 CB GLU A 48 154.497 2.944 21.438 1.00 0.00 C ATOM 780 CG GLU A 48 155.175 2.799 22.792 1.00 0.00 C ATOM 781 CD GLU A 48 156.223 1.704 22.804 1.00 0.00 C ATOM 782 OE1 GLU A 48 156.174 0.826 21.918 1.00 0.00 O ATOM 783 OE2 GLU A 48 157.092 1.725 23.700 1.00 0.00 O ATOM 0 H GLU A 48 152.916 3.026 19.509 1.00 0.00 H new ATOM 0 HA GLU A 48 154.023 0.883 21.072 1.00 0.00 H new ATOM 0 HB2 GLU A 48 155.259 2.955 20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 48 153.987 3.906 21.398 1.00 0.00 H new ATOM 0 HG2 GLU A 48 155.641 3.746 23.064 1.00 0.00 H new ATOM 0 HG3 GLU A 48 154.422 2.585 23.550 1.00 0.00 H new ATOM 790 N ASN A 49 152.000 2.866 22.708 1.00 0.00 N ATOM 791 CA ASN A 49 151.009 2.930 23.777 1.00 0.00 C ATOM 792 C ASN A 49 150.487 4.352 23.936 1.00 0.00 C ATOM 793 O ASN A 49 149.292 4.606 23.797 1.00 0.00 O ATOM 794 CB ASN A 49 151.615 2.442 25.095 1.00 0.00 C ATOM 795 CG ASN A 49 150.743 1.409 25.782 1.00 0.00 C ATOM 796 OD1 ASN A 49 150.287 1.613 26.907 1.00 0.00 O ATOM 797 ND2 ASN A 49 150.507 0.290 25.106 1.00 0.00 N ATOM 0 H ASN A 49 152.295 3.777 22.356 1.00 0.00 H new ATOM 0 HA ASN A 49 150.175 2.280 23.512 1.00 0.00 H new ATOM 0 HB2 ASN A 49 152.599 2.014 24.903 1.00 0.00 H new ATOM 0 HB3 ASN A 49 151.761 3.292 25.762 1.00 0.00 H new ATOM 0 HD21 ASN A 49 149.928 -0.442 25.517 1.00 0.00 H new ATOM 0 HD22 ASN A 49 150.905 0.163 24.176 1.00 0.00 H new ATOM 804 N GLU A 50 151.397 5.279 24.214 1.00 0.00 N ATOM 805 CA GLU A 50 151.038 6.680 24.378 1.00 0.00 C ATOM 806 C GLU A 50 151.313 7.450 23.092 1.00 0.00 C ATOM 807 O GLU A 50 151.716 8.613 23.125 1.00 0.00 O ATOM 808 CB GLU A 50 151.819 7.300 25.539 1.00 0.00 C ATOM 809 CG GLU A 50 151.116 7.175 26.881 1.00 0.00 C ATOM 810 CD GLU A 50 150.708 8.517 27.454 1.00 0.00 C ATOM 811 OE1 GLU A 50 150.349 9.416 26.665 1.00 0.00 O ATOM 812 OE2 GLU A 50 150.746 8.671 28.694 1.00 0.00 O ATOM 0 H GLU A 50 152.391 5.083 24.330 1.00 0.00 H new ATOM 0 HA GLU A 50 149.973 6.739 24.603 1.00 0.00 H new ATOM 0 HB2 GLU A 50 152.797 6.822 25.604 1.00 0.00 H new ATOM 0 HB3 GLU A 50 151.993 8.355 25.326 1.00 0.00 H new ATOM 0 HG2 GLU A 50 150.231 6.549 26.766 1.00 0.00 H new ATOM 0 HG3 GLU A 50 151.775 6.669 27.586 1.00 0.00 H new ATOM 819 N ARG A 51 151.097 6.787 21.960 1.00 0.00 N ATOM 820 CA ARG A 51 151.323 7.398 20.655 1.00 0.00 C ATOM 821 C ARG A 51 152.801 7.729 20.465 1.00 0.00 C ATOM 822 O ARG A 51 153.154 8.854 20.107 1.00 0.00 O ATOM 823 CB ARG A 51 150.473 8.661 20.503 1.00 0.00 C ATOM 824 CG ARG A 51 149.127 8.414 19.845 1.00 0.00 C ATOM 825 CD ARG A 51 148.350 9.707 19.659 1.00 0.00 C ATOM 826 NE ARG A 51 147.927 10.279 20.936 1.00 0.00 N ATOM 827 CZ ARG A 51 147.570 11.551 21.096 1.00 0.00 C ATOM 828 NH1 ARG A 51 147.582 12.387 20.065 1.00 0.00 N ATOM 829 NH2 ARG A 51 147.199 11.989 22.292 1.00 0.00 N ATOM 0 H ARG A 51 150.765 5.823 21.921 1.00 0.00 H new ATOM 0 HA ARG A 51 151.028 6.684 19.886 1.00 0.00 H new ATOM 0 HB2 ARG A 51 150.311 9.100 21.487 1.00 0.00 H new ATOM 0 HB3 ARG A 51 151.027 9.393 19.914 1.00 0.00 H new ATOM 0 HG2 ARG A 51 149.277 7.936 18.877 1.00 0.00 H new ATOM 0 HG3 ARG A 51 148.545 7.723 20.455 1.00 0.00 H new ATOM 0 HD2 ARG A 51 148.969 10.429 19.126 1.00 0.00 H new ATOM 0 HD3 ARG A 51 147.474 9.518 19.038 1.00 0.00 H new ATOM 0 HE ARG A 51 147.904 9.668 21.752 1.00 0.00 H new ATOM 0 HH11 ARG A 51 147.866 12.056 19.143 1.00 0.00 H new ATOM 0 HH12 ARG A 51 147.307 13.361 20.195 1.00 0.00 H new ATOM 0 HH21 ARG A 51 147.188 11.351 23.088 1.00 0.00 H new ATOM 0 HH22 ARG A 51 146.925 12.964 22.416 1.00 0.00 H new ATOM 843 N GLU A 52 153.664 6.745 20.706 1.00 0.00 N ATOM 844 CA GLU A 52 155.103 6.945 20.557 1.00 0.00 C ATOM 845 C GLU A 52 155.577 6.551 19.164 1.00 0.00 C ATOM 846 O GLU A 52 156.642 6.978 18.717 1.00 0.00 O ATOM 847 CB GLU A 52 155.869 6.155 21.621 1.00 0.00 C ATOM 848 CG GLU A 52 155.986 6.880 22.951 1.00 0.00 C ATOM 849 CD GLU A 52 157.315 7.590 23.112 1.00 0.00 C ATOM 850 OE1 GLU A 52 158.309 7.139 22.505 1.00 0.00 O ATOM 851 OE2 GLU A 52 157.363 8.601 23.847 1.00 0.00 O ATOM 0 H GLU A 52 153.394 5.807 21.003 1.00 0.00 H new ATOM 0 HA GLU A 52 155.305 8.007 20.694 1.00 0.00 H new ATOM 0 HB2 GLU A 52 155.370 5.199 21.781 1.00 0.00 H new ATOM 0 HB3 GLU A 52 156.869 5.935 21.248 1.00 0.00 H new ATOM 0 HG2 GLU A 52 155.178 7.606 23.037 1.00 0.00 H new ATOM 0 HG3 GLU A 52 155.860 6.164 23.763 1.00 0.00 H new ATOM 858 N ILE A 53 154.780 5.743 18.483 1.00 0.00 N ATOM 859 CA ILE A 53 155.114 5.298 17.134 1.00 0.00 C ATOM 860 C ILE A 53 153.877 5.274 16.248 1.00 0.00 C ATOM 861 O ILE A 53 153.658 6.173 15.435 1.00 0.00 O ATOM 862 CB ILE A 53 155.814 3.910 17.137 1.00 0.00 C ATOM 863 CG1 ILE A 53 155.788 3.277 15.740 1.00 0.00 C ATOM 864 CG2 ILE A 53 155.190 2.974 18.164 1.00 0.00 C ATOM 865 CD1 ILE A 53 156.532 1.962 15.656 1.00 0.00 C ATOM 0 H ILE A 53 153.896 5.380 18.840 1.00 0.00 H new ATOM 0 HA ILE A 53 155.820 6.019 16.723 1.00 0.00 H new ATOM 0 HB ILE A 53 156.855 4.069 17.420 1.00 0.00 H new ATOM 0 HG12 ILE A 53 154.752 3.118 15.442 1.00 0.00 H new ATOM 0 HG13 ILE A 53 156.222 3.976 15.025 1.00 0.00 H new ATOM 0 HG21 ILE A 53 155.703 2.013 18.139 1.00 0.00 H new ATOM 0 HG22 ILE A 53 155.284 3.410 19.158 1.00 0.00 H new ATOM 0 HG23 ILE A 53 154.135 2.828 17.930 1.00 0.00 H new ATOM 0 HD11 ILE A 53 156.471 1.574 14.639 1.00 0.00 H new ATOM 0 HD12 ILE A 53 157.577 2.118 15.923 1.00 0.00 H new ATOM 0 HD13 ILE A 53 156.084 1.246 16.345 1.00 0.00 H new ATOM 877 N LYS A 54 153.078 4.245 16.419 1.00 0.00 N ATOM 878 CA LYS A 54 151.851 4.080 15.649 1.00 0.00 C ATOM 879 C LYS A 54 152.139 4.080 14.150 1.00 0.00 C ATOM 880 O LYS A 54 151.734 4.991 13.427 1.00 0.00 O ATOM 881 CB LYS A 54 150.857 5.189 16.000 1.00 0.00 C ATOM 882 CG LYS A 54 149.679 4.706 16.831 1.00 0.00 C ATOM 883 CD LYS A 54 148.644 5.803 17.019 1.00 0.00 C ATOM 884 CE LYS A 54 147.819 5.582 18.278 1.00 0.00 C ATOM 885 NZ LYS A 54 146.386 5.328 17.966 1.00 0.00 N ATOM 0 H LYS A 54 153.253 3.498 17.091 1.00 0.00 H new ATOM 0 HA LYS A 54 151.413 3.116 15.907 1.00 0.00 H new ATOM 0 HB2 LYS A 54 151.379 5.975 16.546 1.00 0.00 H new ATOM 0 HB3 LYS A 54 150.483 5.636 15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 54 149.217 3.847 16.344 1.00 0.00 H new ATOM 0 HG3 LYS A 54 150.033 4.368 17.805 1.00 0.00 H new ATOM 0 HD2 LYS A 54 149.144 6.770 17.075 1.00 0.00 H new ATOM 0 HD3 LYS A 54 147.985 5.835 16.152 1.00 0.00 H new ATOM 0 HE2 LYS A 54 148.225 4.737 18.834 1.00 0.00 H new ATOM 0 HE3 LYS A 54 147.900 6.457 18.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 145.859 5.183 18.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 145.991 6.145 17.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 146.305 4.479 17.371 1.00 0.00 H new ATOM 899 N GLY A 55 152.836 3.049 13.688 1.00 0.00 N ATOM 900 CA GLY A 55 153.155 2.950 12.277 1.00 0.00 C ATOM 901 C GLY A 55 152.230 2.002 11.550 1.00 0.00 C ATOM 902 O GLY A 55 152.132 0.828 11.900 1.00 0.00 O ATOM 0 H GLY A 55 153.185 2.282 14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 55 153.092 3.938 11.821 1.00 0.00 H new ATOM 0 HA3 GLY A 55 154.185 2.611 12.161 1.00 0.00 H new ATOM 906 N TYR A 56 151.540 2.512 10.540 1.00 0.00 N ATOM 907 CA TYR A 56 150.608 1.695 9.777 1.00 0.00 C ATOM 908 C TYR A 56 151.175 1.332 8.408 1.00 0.00 C ATOM 909 O TYR A 56 151.211 2.162 7.500 1.00 0.00 O ATOM 910 CB TYR A 56 149.274 2.424 9.609 1.00 0.00 C ATOM 911 CG TYR A 56 149.405 3.848 9.114 1.00 0.00 C ATOM 912 CD1 TYR A 56 149.677 4.889 9.993 1.00 0.00 C ATOM 913 CD2 TYR A 56 149.247 4.155 7.767 1.00 0.00 C ATOM 914 CE1 TYR A 56 149.786 6.192 9.547 1.00 0.00 C ATOM 915 CE2 TYR A 56 149.358 5.455 7.312 1.00 0.00 C ATOM 916 CZ TYR A 56 149.627 6.470 8.206 1.00 0.00 C ATOM 917 OH TYR A 56 149.734 7.766 7.759 1.00 0.00 O ATOM 0 H TYR A 56 151.607 3.482 10.231 1.00 0.00 H new ATOM 0 HA TYR A 56 150.447 0.772 10.334 1.00 0.00 H new ATOM 0 HB2 TYR A 56 148.652 1.864 8.911 1.00 0.00 H new ATOM 0 HB3 TYR A 56 148.753 2.430 10.566 1.00 0.00 H new ATOM 0 HD1 TYR A 56 149.806 4.676 11.044 1.00 0.00 H new ATOM 0 HD2 TYR A 56 149.034 3.363 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 56 149.995 6.989 10.245 1.00 0.00 H new ATOM 0 HE2 TYR A 56 149.235 5.675 6.262 1.00 0.00 H new ATOM 0 HH TYR A 56 150.660 8.071 7.859 1.00 0.00 H new ATOM 927 N GLU A 57 151.602 0.081 8.266 1.00 0.00 N ATOM 928 CA GLU A 57 152.149 -0.400 7.003 1.00 0.00 C ATOM 929 C GLU A 57 151.048 -1.057 6.180 1.00 0.00 C ATOM 930 O GLU A 57 150.444 -2.042 6.605 1.00 0.00 O ATOM 931 CB GLU A 57 153.301 -1.380 7.257 1.00 0.00 C ATOM 932 CG GLU A 57 153.663 -2.239 6.053 1.00 0.00 C ATOM 933 CD GLU A 57 155.161 -2.414 5.893 1.00 0.00 C ATOM 934 OE1 GLU A 57 155.850 -2.599 6.917 1.00 0.00 O ATOM 935 OE2 GLU A 57 155.644 -2.368 4.742 1.00 0.00 O ATOM 0 H GLU A 57 151.580 -0.617 9.009 1.00 0.00 H new ATOM 0 HA GLU A 57 152.545 0.446 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 57 154.182 -0.817 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 57 153.032 -2.032 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 57 153.195 -3.218 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 57 153.255 -1.784 5.150 1.00 0.00 H new ATOM 942 N TYR A 58 150.778 -0.492 5.010 1.00 0.00 N ATOM 943 CA TYR A 58 149.730 -1.010 4.139 1.00 0.00 C ATOM 944 C TYR A 58 150.290 -1.910 3.040 1.00 0.00 C ATOM 945 O TYR A 58 151.424 -1.741 2.591 1.00 0.00 O ATOM 946 CB TYR A 58 148.943 0.145 3.515 1.00 0.00 C ATOM 947 CG TYR A 58 147.481 0.158 3.899 1.00 0.00 C ATOM 948 CD1 TYR A 58 146.544 -0.560 3.166 1.00 0.00 C ATOM 949 CD2 TYR A 58 147.037 0.888 4.993 1.00 0.00 C ATOM 950 CE1 TYR A 58 145.207 -0.552 3.514 1.00 0.00 C ATOM 951 CE2 TYR A 58 145.702 0.902 5.349 1.00 0.00 C ATOM 952 CZ TYR A 58 144.791 0.179 4.607 1.00 0.00 C ATOM 953 OH TYR A 58 143.461 0.191 4.958 1.00 0.00 O ATOM 0 H TYR A 58 151.269 0.323 4.643 1.00 0.00 H new ATOM 0 HA TYR A 58 149.065 -1.615 4.755 1.00 0.00 H new ATOM 0 HB2 TYR A 58 149.398 1.088 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 58 149.025 0.085 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 58 146.866 -1.134 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 58 147.748 1.455 5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 58 144.491 -1.115 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 58 145.374 1.476 6.203 1.00 0.00 H new ATOM 0 HH TYR A 58 143.211 -0.684 5.323 1.00 0.00 H new ATOM 963 N GLN A 59 149.467 -2.859 2.609 1.00 0.00 N ATOM 964 CA GLN A 59 149.831 -3.797 1.553 1.00 0.00 C ATOM 965 C GLN A 59 148.590 -4.163 0.746 1.00 0.00 C ATOM 966 O GLN A 59 147.898 -5.131 1.058 1.00 0.00 O ATOM 967 CB GLN A 59 150.463 -5.057 2.147 1.00 0.00 C ATOM 968 CG GLN A 59 151.586 -4.769 3.130 1.00 0.00 C ATOM 969 CD GLN A 59 152.518 -5.950 3.312 1.00 0.00 C ATOM 970 OE1 GLN A 59 152.086 -7.103 3.308 1.00 0.00 O ATOM 971 NE2 GLN A 59 153.806 -5.669 3.470 1.00 0.00 N ATOM 0 H GLN A 59 148.528 -3.000 2.982 1.00 0.00 H new ATOM 0 HA GLN A 59 150.562 -3.324 0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 59 149.690 -5.638 2.651 1.00 0.00 H new ATOM 0 HB3 GLN A 59 150.850 -5.676 1.337 1.00 0.00 H new ATOM 0 HG2 GLN A 59 152.158 -3.910 2.781 1.00 0.00 H new ATOM 0 HG3 GLN A 59 151.158 -4.496 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 59 154.120 -4.699 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 59 154.481 -6.423 3.595 1.00 0.00 H new ATOM 980 N LEU A 60 148.298 -3.362 -0.273 1.00 0.00 N ATOM 981 CA LEU A 60 147.128 -3.576 -1.102 1.00 0.00 C ATOM 982 C LEU A 60 147.500 -4.094 -2.488 1.00 0.00 C ATOM 983 O LEU A 60 148.538 -3.725 -3.038 1.00 0.00 O ATOM 984 CB LEU A 60 146.338 -2.270 -1.226 1.00 0.00 C ATOM 985 CG LEU A 60 144.832 -2.378 -0.975 1.00 0.00 C ATOM 986 CD1 LEU A 60 144.200 -3.378 -1.927 1.00 0.00 C ATOM 987 CD2 LEU A 60 144.562 -2.757 0.474 1.00 0.00 C ATOM 0 H LEU A 60 148.862 -2.556 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 60 146.512 -4.336 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 60 146.754 -1.547 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 60 146.493 -1.867 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 60 144.378 -1.405 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 60 143.129 -3.440 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 144.363 -3.055 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 60 144.653 -4.358 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 60 143.487 -2.830 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 60 145.028 -3.718 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 60 144.978 -1.995 1.133 1.00 0.00 H new ATOM 999 N TYR A 61 146.633 -4.926 -3.063 1.00 0.00 N ATOM 1000 CA TYR A 61 146.865 -5.461 -4.395 1.00 0.00 C ATOM 1001 C TYR A 61 146.126 -4.599 -5.406 1.00 0.00 C ATOM 1002 O TYR A 61 145.072 -4.977 -5.918 1.00 0.00 O ATOM 1003 CB TYR A 61 146.392 -6.911 -4.479 1.00 0.00 C ATOM 1004 CG TYR A 61 147.440 -7.919 -4.062 1.00 0.00 C ATOM 1005 CD1 TYR A 61 148.054 -7.835 -2.818 1.00 0.00 C ATOM 1006 CD2 TYR A 61 147.814 -8.952 -4.911 1.00 0.00 C ATOM 1007 CE1 TYR A 61 149.011 -8.754 -2.432 1.00 0.00 C ATOM 1008 CE2 TYR A 61 148.769 -9.876 -4.531 1.00 0.00 C ATOM 1009 CZ TYR A 61 149.365 -9.773 -3.292 1.00 0.00 C ATOM 1010 OH TYR A 61 150.318 -10.690 -2.911 1.00 0.00 O ATOM 0 H TYR A 61 145.767 -5.241 -2.625 1.00 0.00 H new ATOM 0 HA TYR A 61 147.933 -5.445 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 61 145.512 -7.034 -3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 61 146.083 -7.124 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 61 147.779 -7.039 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 61 147.351 -9.035 -5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 61 149.479 -8.675 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 61 149.047 -10.675 -5.202 1.00 0.00 H new ATOM 0 HH TYR A 61 150.450 -11.342 -3.630 1.00 0.00 H new ATOM 1020 N VAL A 62 146.678 -3.421 -5.654 1.00 0.00 N ATOM 1021 CA VAL A 62 146.078 -2.462 -6.566 1.00 0.00 C ATOM 1022 C VAL A 62 146.074 -2.962 -8.006 1.00 0.00 C ATOM 1023 O VAL A 62 146.927 -2.585 -8.799 1.00 0.00 O ATOM 1024 CB VAL A 62 146.813 -1.105 -6.499 1.00 0.00 C ATOM 1025 CG1 VAL A 62 146.550 -0.418 -5.167 1.00 0.00 C ATOM 1026 CG2 VAL A 62 148.309 -1.281 -6.715 1.00 0.00 C ATOM 0 H VAL A 62 147.550 -3.105 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 62 145.044 -2.334 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 62 146.425 -0.475 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 62 147.076 0.536 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 62 145.480 -0.246 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 62 146.905 -1.052 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 62 148.801 -0.310 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 62 148.714 -1.935 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 62 148.485 -1.725 -7.695 1.00 0.00 H new ATOM 1036 N TYR A 63 145.105 -3.797 -8.356 1.00 0.00 N ATOM 1037 CA TYR A 63 145.023 -4.296 -9.725 1.00 0.00 C ATOM 1038 C TYR A 63 144.681 -3.138 -10.657 1.00 0.00 C ATOM 1039 O TYR A 63 143.515 -2.914 -10.979 1.00 0.00 O ATOM 1040 CB TYR A 63 143.981 -5.421 -9.833 1.00 0.00 C ATOM 1041 CG TYR A 63 143.532 -5.723 -11.250 1.00 0.00 C ATOM 1042 CD1 TYR A 63 144.394 -5.559 -12.329 1.00 0.00 C ATOM 1043 CD2 TYR A 63 142.243 -6.175 -11.506 1.00 0.00 C ATOM 1044 CE1 TYR A 63 143.983 -5.836 -13.619 1.00 0.00 C ATOM 1045 CE2 TYR A 63 141.826 -6.454 -12.793 1.00 0.00 C ATOM 1046 CZ TYR A 63 142.699 -6.283 -13.845 1.00 0.00 C ATOM 1047 OH TYR A 63 142.288 -6.561 -15.129 1.00 0.00 O ATOM 0 H TYR A 63 144.378 -4.138 -7.727 1.00 0.00 H new ATOM 0 HA TYR A 63 145.985 -4.716 -10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 63 144.397 -6.328 -9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 63 143.109 -5.151 -9.238 1.00 0.00 H new ATOM 0 HD1 TYR A 63 145.401 -5.209 -12.156 1.00 0.00 H new ATOM 0 HD2 TYR A 63 141.555 -6.310 -10.684 1.00 0.00 H new ATOM 0 HE1 TYR A 63 144.665 -5.703 -14.446 1.00 0.00 H new ATOM 0 HE2 TYR A 63 140.821 -6.804 -12.974 1.00 0.00 H new ATOM 0 HH TYR A 63 141.357 -6.867 -15.116 1.00 0.00 H new ATOM 1057 N ALA A 64 145.699 -2.382 -11.066 1.00 0.00 N ATOM 1058 CA ALA A 64 145.467 -1.227 -11.930 1.00 0.00 C ATOM 1059 C ALA A 64 146.760 -0.681 -12.527 1.00 0.00 C ATOM 1060 O ALA A 64 147.781 -1.362 -12.560 1.00 0.00 O ATOM 1061 CB ALA A 64 144.740 -0.151 -11.135 1.00 0.00 C ATOM 0 H ALA A 64 146.675 -2.544 -10.818 1.00 0.00 H new ATOM 0 HA ALA A 64 144.851 -1.546 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA A 64 144.563 0.715 -11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 64 143.786 -0.542 -10.781 1.00 0.00 H new ATOM 0 HB3 ALA A 64 145.350 0.145 -10.282 1.00 0.00 H new ATOM 1067 N SER A 65 146.698 0.553 -13.023 1.00 0.00 N ATOM 1068 CA SER A 65 147.858 1.203 -13.639 1.00 0.00 C ATOM 1069 C SER A 65 148.140 0.625 -15.018 1.00 0.00 C ATOM 1070 O SER A 65 148.812 1.256 -15.833 1.00 0.00 O ATOM 1071 CB SER A 65 149.100 1.062 -12.752 1.00 0.00 C ATOM 1072 OG SER A 65 149.833 -0.109 -13.072 1.00 0.00 O ATOM 0 H SER A 65 145.855 1.126 -13.011 1.00 0.00 H new ATOM 0 HA SER A 65 147.622 2.262 -13.746 1.00 0.00 H new ATOM 0 HB2 SER A 65 149.738 1.937 -12.874 1.00 0.00 H new ATOM 0 HB3 SER A 65 148.800 1.030 -11.705 1.00 0.00 H new ATOM 0 HG SER A 65 149.411 -0.885 -12.647 1.00 0.00 H new ATOM 1078 N ASP A 66 147.623 -0.579 -15.264 1.00 0.00 N ATOM 1079 CA ASP A 66 147.807 -1.272 -16.531 1.00 0.00 C ATOM 1080 C ASP A 66 147.652 -2.780 -16.339 1.00 0.00 C ATOM 1081 O ASP A 66 147.439 -3.514 -17.303 1.00 0.00 O ATOM 1082 CB ASP A 66 149.178 -0.944 -17.137 1.00 0.00 C ATOM 1083 CG ASP A 66 149.601 -1.917 -18.223 1.00 0.00 C ATOM 1084 OD1 ASP A 66 149.948 -3.069 -17.885 1.00 0.00 O ATOM 1085 OD2 ASP A 66 149.583 -1.528 -19.409 1.00 0.00 O ATOM 0 H ASP A 66 147.065 -1.099 -14.587 1.00 0.00 H new ATOM 0 HA ASP A 66 147.039 -0.929 -17.224 1.00 0.00 H new ATOM 0 HB2 ASP A 66 149.153 0.064 -17.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 149.927 -0.945 -16.345 1.00 0.00 H new ATOM 1090 N LYS A 67 147.754 -3.232 -15.092 1.00 0.00 N ATOM 1091 CA LYS A 67 147.614 -4.654 -14.787 1.00 0.00 C ATOM 1092 C LYS A 67 147.605 -4.899 -13.282 1.00 0.00 C ATOM 1093 O LYS A 67 147.628 -3.961 -12.487 1.00 0.00 O ATOM 1094 CB LYS A 67 148.747 -5.452 -15.435 1.00 0.00 C ATOM 1095 CG LYS A 67 148.374 -6.061 -16.778 1.00 0.00 C ATOM 1096 CD LYS A 67 148.340 -7.583 -16.720 1.00 0.00 C ATOM 1097 CE LYS A 67 146.926 -8.116 -16.886 1.00 0.00 C ATOM 1098 NZ LYS A 67 146.891 -9.350 -17.719 1.00 0.00 N ATOM 0 H LYS A 67 147.932 -2.639 -14.281 1.00 0.00 H new ATOM 0 HA LYS A 67 146.660 -4.988 -15.194 1.00 0.00 H new ATOM 0 HB2 LYS A 67 149.609 -4.799 -15.569 1.00 0.00 H new ATOM 0 HB3 LYS A 67 149.053 -6.249 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 67 147.398 -5.687 -17.088 1.00 0.00 H new ATOM 0 HG3 LYS A 67 149.092 -5.742 -17.534 1.00 0.00 H new ATOM 0 HD2 LYS A 67 148.978 -7.992 -17.503 1.00 0.00 H new ATOM 0 HD3 LYS A 67 148.748 -7.921 -15.767 1.00 0.00 H new ATOM 0 HE2 LYS A 67 146.501 -8.328 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 67 146.301 -7.350 -17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 145.909 -9.681 -17.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 147.273 -9.142 -18.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 147.466 -10.090 -17.268 1.00 0.00 H new ATOM 1112 N LEU A 68 147.577 -6.173 -12.902 1.00 0.00 N ATOM 1113 CA LEU A 68 147.568 -6.554 -11.494 1.00 0.00 C ATOM 1114 C LEU A 68 148.862 -6.124 -10.812 1.00 0.00 C ATOM 1115 O LEU A 68 149.929 -6.667 -11.094 1.00 0.00 O ATOM 1116 CB LEU A 68 147.386 -8.069 -11.355 1.00 0.00 C ATOM 1117 CG LEU A 68 148.429 -8.917 -12.090 1.00 0.00 C ATOM 1118 CD1 LEU A 68 149.517 -9.374 -11.130 1.00 0.00 C ATOM 1119 CD2 LEU A 68 147.770 -10.115 -12.759 1.00 0.00 C ATOM 0 H LEU A 68 147.560 -6.960 -13.551 1.00 0.00 H new ATOM 0 HA LEU A 68 146.733 -6.048 -11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 68 147.411 -8.327 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 68 146.396 -8.336 -11.725 1.00 0.00 H new ATOM 0 HG LEU A 68 148.888 -8.302 -12.864 1.00 0.00 H new ATOM 0 HD11 LEU A 68 150.249 -9.975 -11.669 1.00 0.00 H new ATOM 0 HD12 LEU A 68 150.010 -8.503 -10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 68 149.072 -9.972 -10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 68 148.527 -10.705 -13.276 1.00 0.00 H new ATOM 0 HD22 LEU A 68 147.283 -10.731 -12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 68 147.028 -9.768 -13.478 1.00 0.00 H new ATOM 1131 N PHE A 69 148.767 -5.142 -9.918 1.00 0.00 N ATOM 1132 CA PHE A 69 149.943 -4.653 -9.216 1.00 0.00 C ATOM 1133 C PHE A 69 149.611 -4.287 -7.766 1.00 0.00 C ATOM 1134 O PHE A 69 148.505 -3.848 -7.458 1.00 0.00 O ATOM 1135 CB PHE A 69 150.554 -3.480 -9.993 1.00 0.00 C ATOM 1136 CG PHE A 69 150.010 -2.126 -9.660 1.00 0.00 C ATOM 1137 CD1 PHE A 69 148.797 -1.730 -10.170 1.00 0.00 C ATOM 1138 CD2 PHE A 69 150.721 -1.248 -8.864 1.00 0.00 C ATOM 1139 CE1 PHE A 69 148.284 -0.480 -9.894 1.00 0.00 C ATOM 1140 CE2 PHE A 69 150.216 0.006 -8.579 1.00 0.00 C ATOM 1141 CZ PHE A 69 148.995 0.391 -9.095 1.00 0.00 C ATOM 0 H PHE A 69 147.895 -4.676 -9.667 1.00 0.00 H new ATOM 0 HA PHE A 69 150.689 -5.446 -9.165 1.00 0.00 H new ATOM 0 HB2 PHE A 69 151.630 -3.472 -9.816 1.00 0.00 H new ATOM 0 HB3 PHE A 69 150.407 -3.658 -11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 69 148.237 -2.408 -10.797 1.00 0.00 H new ATOM 0 HD2 PHE A 69 151.678 -1.544 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 69 147.329 -0.184 -10.302 1.00 0.00 H new ATOM 0 HE2 PHE A 69 150.776 0.685 -7.953 1.00 0.00 H new ATOM 0 HZ PHE A 69 148.598 1.371 -8.874 1.00 0.00 H new ATOM 1151 N ARG A 70 150.566 -4.513 -6.871 1.00 0.00 N ATOM 1152 CA ARG A 70 150.367 -4.251 -5.460 1.00 0.00 C ATOM 1153 C ARG A 70 151.072 -2.973 -5.004 1.00 0.00 C ATOM 1154 O ARG A 70 152.160 -2.644 -5.477 1.00 0.00 O ATOM 1155 CB ARG A 70 150.852 -5.457 -4.641 1.00 0.00 C ATOM 1156 CG ARG A 70 151.183 -5.146 -3.187 1.00 0.00 C ATOM 1157 CD ARG A 70 152.680 -4.976 -2.984 1.00 0.00 C ATOM 1158 NE ARG A 70 153.352 -6.260 -2.782 1.00 0.00 N ATOM 1159 CZ ARG A 70 154.636 -6.480 -3.060 1.00 0.00 C ATOM 1160 NH1 ARG A 70 155.395 -5.506 -3.550 1.00 0.00 N ATOM 1161 NH2 ARG A 70 155.164 -7.676 -2.846 1.00 0.00 N ATOM 0 H ARG A 70 151.489 -4.879 -7.105 1.00 0.00 H new ATOM 0 HA ARG A 70 149.301 -4.099 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 70 150.084 -6.230 -4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 70 151.738 -5.872 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 70 150.667 -4.236 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 70 150.817 -5.950 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 70 153.109 -4.474 -3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 70 152.859 -4.333 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 70 152.804 -7.034 -2.405 1.00 0.00 H new ATOM 0 HH11 ARG A 70 154.995 -4.582 -3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 70 156.377 -5.682 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 70 154.587 -8.428 -2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 70 156.147 -7.845 -3.059 1.00 0.00 H new ATOM 1175 N ALA A 71 150.443 -2.277 -4.059 1.00 0.00 N ATOM 1176 CA ALA A 71 150.995 -1.052 -3.492 1.00 0.00 C ATOM 1177 C ALA A 71 151.306 -1.277 -2.019 1.00 0.00 C ATOM 1178 O ALA A 71 150.495 -1.868 -1.306 1.00 0.00 O ATOM 1179 CB ALA A 71 150.019 0.103 -3.664 1.00 0.00 C ATOM 0 H ALA A 71 149.540 -2.546 -3.667 1.00 0.00 H new ATOM 0 HA ALA A 71 151.915 -0.794 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 71 150.448 1.009 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 71 149.825 0.261 -4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 71 149.084 -0.132 -3.155 1.00 0.00 H new ATOM 1185 N ASP A 72 152.474 -0.835 -1.551 1.00 0.00 N ATOM 1186 CA ASP A 72 152.818 -1.049 -0.151 1.00 0.00 C ATOM 1187 C ASP A 72 153.174 0.254 0.548 1.00 0.00 C ATOM 1188 O ASP A 72 154.053 0.992 0.105 1.00 0.00 O ATOM 1189 CB ASP A 72 153.976 -2.042 -0.031 1.00 0.00 C ATOM 1190 CG ASP A 72 153.795 -3.003 1.128 1.00 0.00 C ATOM 1191 OD1 ASP A 72 154.042 -2.593 2.281 1.00 0.00 O ATOM 1192 OD2 ASP A 72 153.409 -4.163 0.880 1.00 0.00 O ATOM 0 H ASP A 72 153.176 -0.342 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 72 151.938 -1.462 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 72 154.064 -2.608 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 72 154.909 -1.494 0.097 1.00 0.00 H new ATOM 1197 N ILE A 73 152.493 0.517 1.654 1.00 0.00 N ATOM 1198 CA ILE A 73 152.738 1.718 2.436 1.00 0.00 C ATOM 1199 C ILE A 73 153.334 1.355 3.787 1.00 0.00 C ATOM 1200 O ILE A 73 153.113 0.260 4.301 1.00 0.00 O ATOM 1201 CB ILE A 73 151.451 2.543 2.663 1.00 0.00 C ATOM 1202 CG1 ILE A 73 150.430 2.285 1.552 1.00 0.00 C ATOM 1203 CG2 ILE A 73 151.781 4.025 2.740 1.00 0.00 C ATOM 1204 CD1 ILE A 73 149.100 2.967 1.789 1.00 0.00 C ATOM 0 H ILE A 73 151.764 -0.089 2.030 1.00 0.00 H new ATOM 0 HA ILE A 73 153.438 2.328 1.865 1.00 0.00 H new ATOM 0 HB ILE A 73 151.010 2.229 3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 73 150.842 2.628 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 73 150.268 1.211 1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 73 150.865 4.594 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 73 152.468 4.202 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 73 152.247 4.343 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 73 148.424 2.742 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 73 148.667 2.606 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 73 149.250 4.045 1.852 1.00 0.00 H new ATOM 1216 N SER A 74 154.087 2.280 4.359 1.00 0.00 N ATOM 1217 CA SER A 74 154.713 2.061 5.652 1.00 0.00 C ATOM 1218 C SER A 74 155.012 3.394 6.317 1.00 0.00 C ATOM 1219 O SER A 74 155.926 4.107 5.906 1.00 0.00 O ATOM 1220 CB SER A 74 156.001 1.252 5.493 1.00 0.00 C ATOM 1221 OG SER A 74 156.727 1.667 4.347 1.00 0.00 O ATOM 0 H SER A 74 154.280 3.193 3.946 1.00 0.00 H new ATOM 0 HA SER A 74 154.025 1.496 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 74 156.620 1.370 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 74 155.760 0.192 5.411 1.00 0.00 H new ATOM 0 HG SER A 74 156.805 2.644 4.346 1.00 0.00 H new ATOM 1227 N GLU A 75 154.235 3.732 7.340 1.00 0.00 N ATOM 1228 CA GLU A 75 154.417 4.989 8.050 1.00 0.00 C ATOM 1229 C GLU A 75 154.691 4.728 9.518 1.00 0.00 C ATOM 1230 O GLU A 75 153.778 4.776 10.334 1.00 0.00 O ATOM 1231 CB GLU A 75 153.169 5.866 7.904 1.00 0.00 C ATOM 1232 CG GLU A 75 152.492 5.749 6.546 1.00 0.00 C ATOM 1233 CD GLU A 75 151.923 7.067 6.057 1.00 0.00 C ATOM 1234 OE1 GLU A 75 151.994 8.061 6.810 1.00 0.00 O ATOM 1235 OE2 GLU A 75 151.404 7.105 4.922 1.00 0.00 O ATOM 0 H GLU A 75 153.474 3.153 7.695 1.00 0.00 H new ATOM 0 HA GLU A 75 155.270 5.511 7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 75 152.454 5.596 8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 75 153.446 6.907 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 75 153.212 5.377 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 75 151.690 5.013 6.607 1.00 0.00 H new ATOM 1242 N ASP A 76 155.947 4.442 9.860 1.00 0.00 N ATOM 1243 CA ASP A 76 156.291 4.164 11.238 1.00 0.00 C ATOM 1244 C ASP A 76 157.255 5.192 11.808 1.00 0.00 C ATOM 1245 O ASP A 76 157.593 6.181 11.159 1.00 0.00 O ATOM 1246 CB ASP A 76 156.891 2.761 11.374 1.00 0.00 C ATOM 1247 CG ASP A 76 155.987 1.684 10.808 1.00 0.00 C ATOM 1248 OD1 ASP A 76 155.795 1.657 9.574 1.00 0.00 O ATOM 1249 OD2 ASP A 76 155.471 0.867 11.598 1.00 0.00 O ATOM 0 H ASP A 76 156.728 4.399 9.205 1.00 0.00 H new ATOM 0 HA ASP A 76 155.366 4.220 11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 76 157.852 2.730 10.862 1.00 0.00 H new ATOM 0 HB3 ASP A 76 157.084 2.553 12.426 1.00 0.00 H new ATOM 1254 N TYR A 77 157.693 4.934 13.034 1.00 0.00 N ATOM 1255 CA TYR A 77 158.623 5.809 13.728 1.00 0.00 C ATOM 1256 C TYR A 77 159.635 4.972 14.503 1.00 0.00 C ATOM 1257 O TYR A 77 159.439 3.770 14.687 1.00 0.00 O ATOM 1258 CB TYR A 77 157.861 6.742 14.676 1.00 0.00 C ATOM 1259 CG TYR A 77 158.750 7.547 15.600 1.00 0.00 C ATOM 1260 CD1 TYR A 77 159.275 8.767 15.199 1.00 0.00 C ATOM 1261 CD2 TYR A 77 159.059 7.084 16.872 1.00 0.00 C ATOM 1262 CE1 TYR A 77 160.086 9.505 16.040 1.00 0.00 C ATOM 1263 CE2 TYR A 77 159.869 7.817 17.720 1.00 0.00 C ATOM 1264 CZ TYR A 77 160.381 9.026 17.298 1.00 0.00 C ATOM 1265 OH TYR A 77 161.188 9.758 18.137 1.00 0.00 O ATOM 0 H TYR A 77 157.413 4.114 13.572 1.00 0.00 H new ATOM 0 HA TYR A 77 159.155 6.419 12.998 1.00 0.00 H new ATOM 0 HB2 TYR A 77 157.255 7.428 14.084 1.00 0.00 H new ATOM 0 HB3 TYR A 77 157.173 6.148 15.278 1.00 0.00 H new ATOM 0 HD1 TYR A 77 159.046 9.146 14.214 1.00 0.00 H new ATOM 0 HD2 TYR A 77 158.661 6.137 17.204 1.00 0.00 H new ATOM 0 HE1 TYR A 77 160.487 10.453 15.713 1.00 0.00 H new ATOM 0 HE2 TYR A 77 160.099 7.445 18.707 1.00 0.00 H new ATOM 0 HH TYR A 77 161.296 9.280 18.986 1.00 0.00 H new ATOM 1275 N LYS A 78 160.723 5.601 14.941 1.00 0.00 N ATOM 1276 CA LYS A 78 161.768 4.899 15.679 1.00 0.00 C ATOM 1277 C LYS A 78 162.619 4.097 14.707 1.00 0.00 C ATOM 1278 O LYS A 78 162.578 2.866 14.690 1.00 0.00 O ATOM 1279 CB LYS A 78 161.162 3.984 16.750 1.00 0.00 C ATOM 1280 CG LYS A 78 161.692 4.249 18.151 1.00 0.00 C ATOM 1281 CD LYS A 78 162.473 3.063 18.693 1.00 0.00 C ATOM 1282 CE LYS A 78 163.010 3.342 20.088 1.00 0.00 C ATOM 1283 NZ LYS A 78 162.029 2.972 21.147 1.00 0.00 N ATOM 0 H LYS A 78 160.903 6.595 14.797 1.00 0.00 H new ATOM 0 HA LYS A 78 162.396 5.631 16.187 1.00 0.00 H new ATOM 0 HB2 LYS A 78 160.079 4.108 16.751 1.00 0.00 H new ATOM 0 HB3 LYS A 78 161.364 2.946 16.485 1.00 0.00 H new ATOM 0 HG2 LYS A 78 162.333 5.130 18.136 1.00 0.00 H new ATOM 0 HG3 LYS A 78 160.859 4.472 18.818 1.00 0.00 H new ATOM 0 HD2 LYS A 78 161.830 2.183 18.718 1.00 0.00 H new ATOM 0 HD3 LYS A 78 163.301 2.834 18.022 1.00 0.00 H new ATOM 0 HE2 LYS A 78 163.934 2.784 20.239 1.00 0.00 H new ATOM 0 HE3 LYS A 78 163.258 4.400 20.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 162.434 3.178 22.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 161.156 3.522 21.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 161.812 1.957 21.080 1.00 0.00 H new ATOM 1297 N THR A 79 163.361 4.814 13.871 1.00 0.00 N ATOM 1298 CA THR A 79 164.201 4.189 12.852 1.00 0.00 C ATOM 1299 C THR A 79 163.322 3.730 11.695 1.00 0.00 C ATOM 1300 O THR A 79 163.593 2.720 11.045 1.00 0.00 O ATOM 1301 CB THR A 79 164.981 3.004 13.431 1.00 0.00 C ATOM 1302 OG1 THR A 79 165.431 3.292 14.742 1.00 0.00 O ATOM 1303 CG2 THR A 79 166.190 2.621 12.605 1.00 0.00 C ATOM 0 H THR A 79 163.399 5.833 13.878 1.00 0.00 H new ATOM 0 HA THR A 79 164.927 4.920 12.495 1.00 0.00 H new ATOM 0 HB THR A 79 164.280 2.169 13.428 1.00 0.00 H new ATOM 0 HG1 THR A 79 165.925 2.523 15.095 1.00 0.00 H new ATOM 0 HG21 THR A 79 166.696 1.776 13.071 1.00 0.00 H new ATOM 0 HG22 THR A 79 165.871 2.344 11.600 1.00 0.00 H new ATOM 0 HG23 THR A 79 166.875 3.467 12.548 1.00 0.00 H new ATOM 1311 N ARG A 80 162.253 4.487 11.464 1.00 0.00 N ATOM 1312 CA ARG A 80 161.299 4.198 10.424 1.00 0.00 C ATOM 1313 C ARG A 80 161.193 5.348 9.441 1.00 0.00 C ATOM 1314 O ARG A 80 161.876 6.363 9.565 1.00 0.00 O ATOM 1315 CB ARG A 80 159.933 3.931 11.042 1.00 0.00 C ATOM 1316 CG ARG A 80 159.936 2.804 12.061 1.00 0.00 C ATOM 1317 CD ARG A 80 160.020 1.442 11.390 1.00 0.00 C ATOM 1318 NE ARG A 80 160.507 0.409 12.301 1.00 0.00 N ATOM 1319 CZ ARG A 80 159.753 -0.173 13.233 1.00 0.00 C ATOM 1320 NH1 ARG A 80 158.480 0.171 13.375 1.00 0.00 N ATOM 1321 NH2 ARG A 80 160.276 -1.102 14.020 1.00 0.00 N ATOM 0 H ARG A 80 162.032 5.324 12.004 1.00 0.00 H new ATOM 0 HA ARG A 80 161.642 3.316 9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 80 159.576 4.842 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 80 159.225 3.690 10.249 1.00 0.00 H new ATOM 0 HG2 ARG A 80 160.780 2.929 12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 80 159.031 2.857 12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 80 159.035 1.161 11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 80 160.682 1.504 10.526 1.00 0.00 H new ATOM 0 HE ARG A 80 161.481 0.116 12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 80 158.074 0.884 12.769 1.00 0.00 H new ATOM 0 HH12 ARG A 80 157.907 -0.278 14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 80 161.254 -1.370 13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 80 159.701 -1.549 14.734 1.00 0.00 H new ATOM 1335 N GLY A 81 160.306 5.178 8.480 1.00 0.00 N ATOM 1336 CA GLY A 81 160.074 6.198 7.484 1.00 0.00 C ATOM 1337 C GLY A 81 158.610 6.557 7.422 1.00 0.00 C ATOM 1338 O GLY A 81 157.957 6.671 8.459 1.00 0.00 O ATOM 0 H GLY A 81 159.735 4.340 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 81 160.662 7.085 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 81 160.409 5.844 6.509 1.00 0.00 H new ATOM 1342 N ARG A 82 158.082 6.715 6.216 1.00 0.00 N ATOM 1343 CA ARG A 82 156.674 7.043 6.039 1.00 0.00 C ATOM 1344 C ARG A 82 156.391 7.437 4.594 1.00 0.00 C ATOM 1345 O ARG A 82 156.817 8.499 4.141 1.00 0.00 O ATOM 1346 CB ARG A 82 156.255 8.173 6.990 1.00 0.00 C ATOM 1347 CG ARG A 82 154.907 8.794 6.658 1.00 0.00 C ATOM 1348 CD ARG A 82 154.404 9.675 7.791 1.00 0.00 C ATOM 1349 NE ARG A 82 154.640 11.093 7.527 1.00 0.00 N ATOM 1350 CZ ARG A 82 154.218 12.075 8.321 1.00 0.00 C ATOM 1351 NH1 ARG A 82 153.542 11.796 9.430 1.00 0.00 N ATOM 1352 NH2 ARG A 82 154.474 13.337 8.009 1.00 0.00 N ATOM 0 H ARG A 82 158.607 6.621 5.346 1.00 0.00 H new ATOM 0 HA ARG A 82 156.088 6.156 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 156.223 7.784 8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 82 157.017 8.952 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 82 154.993 9.386 5.746 1.00 0.00 H new ATOM 0 HG3 ARG A 82 154.181 8.005 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 82 153.337 9.506 7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 82 154.901 9.391 8.719 1.00 0.00 H new ATOM 0 HE ARG A 82 155.158 11.345 6.685 1.00 0.00 H new ATOM 0 HH11 ARG A 82 153.344 10.826 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 82 153.221 12.552 10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 82 154.995 13.557 7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 82 154.150 14.089 8.618 1.00 0.00 H new ATOM 1366 N LYS A 83 155.667 6.578 3.872 1.00 0.00 N ATOM 1367 CA LYS A 83 155.334 6.858 2.471 1.00 0.00 C ATOM 1368 C LYS A 83 154.778 5.639 1.740 1.00 0.00 C ATOM 1369 O LYS A 83 155.023 4.496 2.124 1.00 0.00 O ATOM 1370 CB LYS A 83 156.566 7.372 1.716 1.00 0.00 C ATOM 1371 CG LYS A 83 157.857 6.664 2.101 1.00 0.00 C ATOM 1372 CD LYS A 83 158.728 6.382 0.884 1.00 0.00 C ATOM 1373 CE LYS A 83 159.861 7.389 0.760 1.00 0.00 C ATOM 1374 NZ LYS A 83 161.165 6.726 0.483 1.00 0.00 N ATOM 0 H LYS A 83 155.304 5.694 4.227 1.00 0.00 H new ATOM 0 HA LYS A 83 154.557 7.622 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 83 156.401 7.252 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 83 156.677 8.440 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 83 158.411 7.278 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 83 157.622 5.727 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 83 159.141 5.376 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 83 158.115 6.410 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 83 159.635 8.093 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 83 159.936 7.967 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 161.911 7.446 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 161.394 6.072 1.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 161.102 6.195 -0.409 1.00 0.00 H new ATOM 1388 N LEU A 84 154.055 5.913 0.652 1.00 0.00 N ATOM 1389 CA LEU A 84 153.481 4.875 -0.198 1.00 0.00 C ATOM 1390 C LEU A 84 154.317 4.786 -1.469 1.00 0.00 C ATOM 1391 O LEU A 84 154.746 5.813 -1.996 1.00 0.00 O ATOM 1392 CB LEU A 84 152.025 5.196 -0.536 1.00 0.00 C ATOM 1393 CG LEU A 84 151.292 4.124 -1.343 1.00 0.00 C ATOM 1394 CD1 LEU A 84 149.803 4.149 -1.033 1.00 0.00 C ATOM 1395 CD2 LEU A 84 151.533 4.318 -2.833 1.00 0.00 C ATOM 0 H LEU A 84 153.853 6.862 0.338 1.00 0.00 H new ATOM 0 HA LEU A 84 153.493 3.919 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 84 151.481 5.363 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 84 151.996 6.132 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 84 151.686 3.149 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 84 149.297 3.380 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 84 149.649 3.959 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 84 149.394 5.126 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 84 151.003 3.546 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 84 151.168 5.299 -3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 84 152.601 4.248 -3.041 1.00 0.00 H new ATOM 1407 N LEU A 85 154.605 3.577 -1.938 1.00 0.00 N ATOM 1408 CA LEU A 85 155.459 3.434 -3.116 1.00 0.00 C ATOM 1409 C LEU A 85 155.277 2.099 -3.839 1.00 0.00 C ATOM 1410 O LEU A 85 154.789 2.062 -4.966 1.00 0.00 O ATOM 1411 CB LEU A 85 156.913 3.568 -2.672 1.00 0.00 C ATOM 1412 CG LEU A 85 157.186 3.086 -1.242 1.00 0.00 C ATOM 1413 CD1 LEU A 85 158.632 2.644 -1.092 1.00 0.00 C ATOM 1414 CD2 LEU A 85 156.860 4.184 -0.237 1.00 0.00 C ATOM 0 H LEU A 85 154.271 2.702 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 85 155.176 4.214 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 85 157.543 3.004 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 85 157.210 4.614 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 85 156.542 2.230 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 85 158.805 2.306 -0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 85 158.836 1.827 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 85 159.293 3.482 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 85 157.060 3.824 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 85 157.479 5.058 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 85 155.808 4.456 -0.324 1.00 0.00 H new ATOM 1426 N ARG A 86 155.712 1.014 -3.188 1.00 0.00 N ATOM 1427 CA ARG A 86 155.649 -0.339 -3.751 1.00 0.00 C ATOM 1428 C ARG A 86 154.630 -0.456 -4.881 1.00 0.00 C ATOM 1429 O ARG A 86 153.464 -0.737 -4.642 1.00 0.00 O ATOM 1430 CB ARG A 86 155.325 -1.348 -2.649 1.00 0.00 C ATOM 1431 CG ARG A 86 156.337 -2.476 -2.538 1.00 0.00 C ATOM 1432 CD ARG A 86 157.306 -2.247 -1.390 1.00 0.00 C ATOM 1433 NE ARG A 86 157.725 -3.500 -0.766 1.00 0.00 N ATOM 1434 CZ ARG A 86 158.656 -4.305 -1.273 1.00 0.00 C ATOM 1435 NH1 ARG A 86 159.268 -3.993 -2.408 1.00 0.00 N ATOM 1436 NH2 ARG A 86 158.976 -5.426 -0.642 1.00 0.00 N ATOM 0 H ARG A 86 156.119 1.050 -2.253 1.00 0.00 H new ATOM 0 HA ARG A 86 156.628 -0.556 -4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 86 155.271 -0.825 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 86 154.339 -1.773 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 86 155.814 -3.421 -2.391 1.00 0.00 H new ATOM 0 HG3 ARG A 86 156.892 -2.561 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 86 158.183 -1.714 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 86 156.836 -1.609 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 86 157.278 -3.774 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 86 159.026 -3.132 -2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 86 159.980 -4.614 -2.791 1.00 0.00 H new ATOM 0 HH21 ARG A 86 158.509 -5.671 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 86 159.689 -6.044 -1.030 1.00 0.00 H new ATOM 1450 N PHE A 87 155.090 -0.241 -6.109 1.00 0.00 N ATOM 1451 CA PHE A 87 154.223 -0.327 -7.280 1.00 0.00 C ATOM 1452 C PHE A 87 154.629 -1.502 -8.164 1.00 0.00 C ATOM 1453 O PHE A 87 155.316 -1.327 -9.170 1.00 0.00 O ATOM 1454 CB PHE A 87 154.286 0.978 -8.081 1.00 0.00 C ATOM 1455 CG PHE A 87 153.013 1.778 -8.039 1.00 0.00 C ATOM 1456 CD1 PHE A 87 152.412 2.091 -6.829 1.00 0.00 C ATOM 1457 CD2 PHE A 87 152.418 2.217 -9.211 1.00 0.00 C ATOM 1458 CE1 PHE A 87 151.243 2.829 -6.791 1.00 0.00 C ATOM 1459 CE2 PHE A 87 151.249 2.954 -9.179 1.00 0.00 C ATOM 1460 CZ PHE A 87 150.662 3.259 -7.967 1.00 0.00 C ATOM 0 H PHE A 87 156.060 -0.006 -6.320 1.00 0.00 H new ATOM 0 HA PHE A 87 153.200 -0.486 -6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 87 155.102 1.590 -7.697 1.00 0.00 H new ATOM 0 HB3 PHE A 87 154.524 0.745 -9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 87 152.862 1.755 -5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 87 152.873 1.980 -10.161 1.00 0.00 H new ATOM 0 HE1 PHE A 87 150.785 3.069 -5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 87 150.796 3.290 -10.100 1.00 0.00 H new ATOM 0 HZ PHE A 87 149.748 3.834 -7.939 1.00 0.00 H new ATOM 1470 N ASN A 88 154.203 -2.701 -7.780 1.00 0.00 N ATOM 1471 CA ASN A 88 154.526 -3.908 -8.535 1.00 0.00 C ATOM 1472 C ASN A 88 154.110 -3.768 -9.997 1.00 0.00 C ATOM 1473 O ASN A 88 153.632 -2.715 -10.419 1.00 0.00 O ATOM 1474 CB ASN A 88 153.840 -5.124 -7.912 1.00 0.00 C ATOM 1475 CG ASN A 88 154.724 -6.356 -7.924 1.00 0.00 C ATOM 1476 OD1 ASN A 88 154.318 -7.420 -8.388 1.00 0.00 O ATOM 1477 ND2 ASN A 88 155.942 -6.215 -7.412 1.00 0.00 N ATOM 0 H ASN A 88 153.633 -2.864 -6.950 1.00 0.00 H new ATOM 0 HA ASN A 88 155.606 -4.049 -8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 88 153.558 -4.892 -6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 88 152.919 -5.336 -8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 88 156.582 -7.009 -7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 88 156.237 -5.313 -7.038 1.00 0.00 H new ATOM 1484 N GLY A 89 154.298 -4.836 -10.764 1.00 0.00 N ATOM 1485 CA GLY A 89 153.938 -4.816 -12.169 1.00 0.00 C ATOM 1486 C GLY A 89 153.385 -6.148 -12.647 1.00 0.00 C ATOM 1487 O GLY A 89 152.387 -6.629 -12.112 1.00 0.00 O ATOM 0 H GLY A 89 154.694 -5.717 -10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 89 153.196 -4.036 -12.340 1.00 0.00 H new ATOM 0 HA3 GLY A 89 154.815 -4.557 -12.762 1.00 0.00 H new ATOM 1491 N PRO A 90 154.015 -6.776 -13.656 1.00 0.00 N ATOM 1492 CA PRO A 90 153.560 -8.065 -14.187 1.00 0.00 C ATOM 1493 C PRO A 90 153.392 -9.113 -13.091 1.00 0.00 C ATOM 1494 O PRO A 90 153.568 -8.823 -11.908 1.00 0.00 O ATOM 1495 CB PRO A 90 154.680 -8.472 -15.148 1.00 0.00 C ATOM 1496 CG PRO A 90 155.318 -7.190 -15.553 1.00 0.00 C ATOM 1497 CD PRO A 90 155.217 -6.283 -14.358 1.00 0.00 C ATOM 0 HA PRO A 90 152.582 -7.988 -14.662 1.00 0.00 H new ATOM 0 HB2 PRO A 90 155.397 -9.134 -14.662 1.00 0.00 H new ATOM 0 HB3 PRO A 90 154.285 -9.008 -16.011 1.00 0.00 H new ATOM 0 HG2 PRO A 90 156.358 -7.345 -15.839 1.00 0.00 H new ATOM 0 HG3 PRO A 90 154.811 -6.757 -16.416 1.00 0.00 H new ATOM 0 HD2 PRO A 90 156.105 -6.347 -13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 90 155.110 -5.239 -14.653 1.00 0.00 H new ATOM 1505 N VAL A 91 153.050 -10.334 -13.494 1.00 0.00 N ATOM 1506 CA VAL A 91 152.858 -11.423 -12.545 1.00 0.00 C ATOM 1507 C VAL A 91 154.160 -11.762 -11.826 1.00 0.00 C ATOM 1508 O VAL A 91 154.346 -11.285 -10.686 1.00 0.00 O ATOM 1509 CB VAL A 91 152.329 -12.690 -13.243 1.00 0.00 C ATOM 1510 CG1 VAL A 91 151.947 -13.746 -12.218 1.00 0.00 C ATOM 1511 CG2 VAL A 91 151.146 -12.351 -14.138 1.00 0.00 C ATOM 1512 OXT VAL A 91 154.983 -12.499 -12.408 1.00 0.00 O ATOM 0 H VAL A 91 152.901 -10.592 -14.469 1.00 0.00 H new ATOM 0 HA VAL A 91 152.121 -11.081 -11.818 1.00 0.00 H new ATOM 0 HB VAL A 91 153.124 -13.097 -13.868 1.00 0.00 H new ATOM 0 HG11 VAL A 91 151.576 -14.633 -12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 91 152.822 -14.010 -11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 91 151.169 -13.353 -11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 91 150.785 -13.258 -14.623 1.00 0.00 H new ATOM 0 HG22 VAL A 91 150.347 -11.919 -13.536 1.00 0.00 H new ATOM 0 HG23 VAL A 91 151.458 -11.633 -14.897 1.00 0.00 H new TER 1522 VAL A 91