USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 958 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 81 ASN :FLIP amide:sc= -0.745 F(o=-11!,f=-5.4) USER MOD Set 1.2: A 98 HIS : no HE2:sc= -4.67! C(o=-5.4!,f=-9.1!) USER MOD Set 1.3: A 106 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 56 THR OG1 : rot 160:sc= 0.13 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.113 K(o=0.016,f=-0.88) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -170:sc= -1.49 (180deg=-1.51) USER MOD Set 3.2: A 7 SER OG : rot 180:sc= -0.301 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.018 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -118:sc= 1.38 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -111:sc= -1.89! (180deg=-5.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -73:sc= 1.23 USER MOD Single : A 27 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 33 CYS SG : rot 170:sc= -2.31! USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= -0.423 (180deg=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ -111:sc= -0.599 (180deg=-2.87!) USER MOD Single : A 39 SER OG : rot -76:sc= 0.521 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 22:sc= -0.162 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= -0.121 (180deg=-0.724) USER MOD Single : A 69 MET CE :methyl 159:sc= -0.0877 (180deg=-0.809) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -0.421 (180deg=-1.97!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -19:sc= 0.207 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 170:sc= -0.306 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.29) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.217) USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.62 USER MOD Single : A 109 TYR OH : rot 90:sc= -2.29 USER MOD Single : A 110 SER OG : rot 57:sc= 1.05 USER MOD Single : A 113 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.23) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.744 -6.462 -2.545 1.00 21.53 N ATOM 2 CA MET A 1 5.640 -5.332 -2.367 1.00 73.01 C ATOM 3 C MET A 1 4.863 -4.073 -1.977 1.00 32.15 C ATOM 4 O MET A 1 3.758 -3.844 -2.467 1.00 20.14 O ATOM 5 CB MET A 1 6.404 -5.077 -3.667 1.00 65.35 C ATOM 6 CG MET A 1 7.647 -4.221 -3.414 1.00 11.00 C ATOM 7 SD MET A 1 8.947 -5.224 -2.713 1.00 51.44 S ATOM 8 CE MET A 1 9.989 -5.427 -4.148 1.00 71.13 C ATOM 0 H1 MET A 1 4.923 -7.167 -1.802 1.00 21.53 H new ATOM 0 H2 MET A 1 3.758 -6.136 -2.483 1.00 21.53 H new ATOM 0 H3 MET A 1 4.909 -6.892 -3.477 1.00 21.53 H new ATOM 0 HA MET A 1 6.339 -5.569 -1.565 1.00 73.01 H new ATOM 0 HB2 MET A 1 6.697 -6.027 -4.113 1.00 65.35 H new ATOM 0 HB3 MET A 1 5.753 -4.576 -4.383 1.00 65.35 H new ATOM 0 HG2 MET A 1 7.986 -3.772 -4.348 1.00 11.00 H new ATOM 0 HG3 MET A 1 7.403 -3.402 -2.737 1.00 11.00 H new ATOM 0 HE1 MET A 1 10.856 -6.034 -3.886 1.00 71.13 H new ATOM 0 HE2 MET A 1 9.426 -5.922 -4.940 1.00 71.13 H new ATOM 0 HE3 MET A 1 10.323 -4.450 -4.496 1.00 71.13 H new ATOM 18 N LYS A 2 5.471 -3.290 -1.098 1.00 10.11 N ATOM 19 CA LYS A 2 4.850 -2.060 -0.636 1.00 21.01 C ATOM 20 C LYS A 2 5.039 -0.970 -1.693 1.00 74.32 C ATOM 21 O LYS A 2 4.087 -0.588 -2.372 1.00 71.14 O ATOM 22 CB LYS A 2 5.385 -1.676 0.745 1.00 13.12 C ATOM 23 CG LYS A 2 4.609 -2.392 1.852 1.00 32.52 C ATOM 24 CD LYS A 2 3.406 -1.562 2.305 1.00 43.22 C ATOM 25 CE LYS A 2 3.859 -0.281 3.010 1.00 75.43 C ATOM 26 NZ LYS A 2 2.820 0.183 3.957 1.00 44.12 N ATOM 0 H LYS A 2 6.387 -3.483 -0.693 1.00 10.11 H new ATOM 0 HA LYS A 2 3.776 -2.199 -0.510 1.00 21.01 H new ATOM 0 HB2 LYS A 2 6.442 -1.932 0.813 1.00 13.12 H new ATOM 0 HB3 LYS A 2 5.308 -0.597 0.882 1.00 13.12 H new ATOM 0 HG2 LYS A 2 4.270 -3.364 1.493 1.00 32.52 H new ATOM 0 HG3 LYS A 2 5.267 -2.578 2.701 1.00 32.52 H new ATOM 0 HD2 LYS A 2 2.789 -1.308 1.443 1.00 43.22 H new ATOM 0 HD3 LYS A 2 2.785 -2.152 2.979 1.00 43.22 H new ATOM 0 HE2 LYS A 2 4.792 -0.463 3.544 1.00 75.43 H new ATOM 0 HE3 LYS A 2 4.060 0.496 2.272 1.00 75.43 H new ATOM 0 HZ1 LYS A 2 3.142 1.053 4.427 1.00 44.12 H new ATOM 0 HZ2 LYS A 2 1.939 0.376 3.439 1.00 44.12 H new ATOM 0 HZ3 LYS A 2 2.648 -0.553 4.671 1.00 44.12 H new ATOM 39 N SER A 3 6.273 -0.501 -1.799 1.00 51.35 N ATOM 40 CA SER A 3 6.598 0.537 -2.763 1.00 4.54 C ATOM 41 C SER A 3 6.318 0.041 -4.182 1.00 73.13 C ATOM 42 O SER A 3 6.973 -0.883 -4.661 1.00 60.25 O ATOM 43 CB SER A 3 8.059 0.972 -2.631 1.00 65.14 C ATOM 44 OG SER A 3 8.348 2.120 -3.424 1.00 42.32 O ATOM 0 H SER A 3 7.060 -0.820 -1.234 1.00 51.35 H new ATOM 0 HA SER A 3 5.969 1.403 -2.558 1.00 4.54 H new ATOM 0 HB2 SER A 3 8.280 1.189 -1.586 1.00 65.14 H new ATOM 0 HB3 SER A 3 8.710 0.151 -2.931 1.00 65.14 H new ATOM 0 HG SER A 3 9.024 1.892 -4.096 1.00 42.32 H new ATOM 50 N THR A 4 5.343 0.677 -4.815 1.00 74.52 N ATOM 51 CA THR A 4 4.967 0.311 -6.170 1.00 60.14 C ATOM 52 C THR A 4 5.688 1.203 -7.183 1.00 13.54 C ATOM 53 O THR A 4 5.513 1.045 -8.390 1.00 4.31 O ATOM 54 CB THR A 4 3.442 0.383 -6.274 1.00 63.21 C ATOM 55 OG1 THR A 4 3.097 1.539 -5.517 1.00 11.34 O ATOM 56 CG2 THR A 4 2.750 -0.766 -5.537 1.00 44.31 C ATOM 0 H THR A 4 4.802 1.443 -4.415 1.00 74.52 H new ATOM 0 HA THR A 4 5.275 -0.708 -6.404 1.00 60.14 H new ATOM 0 HB THR A 4 3.149 0.370 -7.324 1.00 63.21 H new ATOM 0 HG1 THR A 4 2.125 1.662 -5.533 1.00 11.34 H new ATOM 0 HG21 THR A 4 1.670 -0.667 -5.642 1.00 44.31 H new ATOM 0 HG22 THR A 4 3.071 -1.717 -5.963 1.00 44.31 H new ATOM 0 HG23 THR A 4 3.016 -0.733 -4.480 1.00 44.31 H new ATOM 64 N PHE A 5 6.482 2.122 -6.653 1.00 42.12 N ATOM 65 CA PHE A 5 7.230 3.040 -7.495 1.00 41.13 C ATOM 66 C PHE A 5 7.740 2.337 -8.755 1.00 23.11 C ATOM 67 O PHE A 5 7.847 2.953 -9.814 1.00 51.11 O ATOM 68 CB PHE A 5 8.428 3.524 -6.676 1.00 13.45 C ATOM 69 CG PHE A 5 9.582 2.522 -6.608 1.00 50.35 C ATOM 70 CD1 PHE A 5 9.395 1.308 -6.026 1.00 21.30 C ATOM 71 CD2 PHE A 5 10.795 2.846 -7.132 1.00 11.25 C ATOM 72 CE1 PHE A 5 10.466 0.378 -5.964 1.00 24.32 C ATOM 73 CE2 PHE A 5 11.866 1.916 -7.069 1.00 41.34 C ATOM 74 CZ PHE A 5 11.679 0.702 -6.487 1.00 23.41 C ATOM 0 H PHE A 5 6.624 2.250 -5.651 1.00 42.12 H new ATOM 0 HA PHE A 5 6.589 3.865 -7.806 1.00 41.13 H new ATOM 0 HB2 PHE A 5 8.795 4.456 -7.105 1.00 13.45 H new ATOM 0 HB3 PHE A 5 8.095 3.748 -5.663 1.00 13.45 H new ATOM 0 HD1 PHE A 5 8.432 1.051 -5.611 1.00 21.30 H new ATOM 0 HD2 PHE A 5 10.943 3.810 -7.596 1.00 11.25 H new ATOM 0 HE1 PHE A 5 10.318 -0.587 -5.502 1.00 24.32 H new ATOM 0 HE2 PHE A 5 12.829 2.173 -7.484 1.00 41.34 H new ATOM 0 HZ PHE A 5 12.494 -0.005 -6.440 1.00 23.41 H new ATOM 84 N LYS A 6 8.042 1.056 -8.598 1.00 11.40 N ATOM 85 CA LYS A 6 8.538 0.263 -9.709 1.00 62.24 C ATOM 86 C LYS A 6 7.422 0.081 -10.739 1.00 54.04 C ATOM 87 O LYS A 6 7.601 0.391 -11.916 1.00 62.42 O ATOM 88 CB LYS A 6 9.130 -1.055 -9.205 1.00 11.12 C ATOM 89 CG LYS A 6 10.011 -1.705 -10.273 1.00 71.25 C ATOM 90 CD LYS A 6 10.043 -3.226 -10.107 1.00 1.34 C ATOM 91 CE LYS A 6 8.922 -3.889 -10.909 1.00 31.12 C ATOM 92 NZ LYS A 6 7.602 -3.556 -10.328 1.00 20.11 N ATOM 0 H LYS A 6 7.953 0.548 -7.718 1.00 11.40 H new ATOM 0 HA LYS A 6 9.355 0.781 -10.211 1.00 62.24 H new ATOM 0 HB2 LYS A 6 9.718 -0.873 -8.305 1.00 11.12 H new ATOM 0 HB3 LYS A 6 8.326 -1.737 -8.928 1.00 11.12 H new ATOM 0 HG2 LYS A 6 9.634 -1.452 -11.264 1.00 71.25 H new ATOM 0 HG3 LYS A 6 11.023 -1.307 -10.206 1.00 71.25 H new ATOM 0 HD2 LYS A 6 11.008 -3.611 -10.437 1.00 1.34 H new ATOM 0 HD3 LYS A 6 9.941 -3.482 -9.053 1.00 1.34 H new ATOM 0 HE2 LYS A 6 8.964 -3.557 -11.946 1.00 31.12 H new ATOM 0 HE3 LYS A 6 9.061 -4.970 -10.915 1.00 31.12 H new ATOM 0 HZ1 LYS A 6 6.868 -4.143 -10.774 1.00 20.11 H new ATOM 0 HZ2 LYS A 6 7.617 -3.739 -9.304 1.00 20.11 H new ATOM 0 HZ3 LYS A 6 7.392 -2.552 -10.497 1.00 20.11 H new ATOM 105 N SER A 7 6.293 -0.420 -10.259 1.00 61.32 N ATOM 106 CA SER A 7 5.147 -0.647 -11.124 1.00 3.04 C ATOM 107 C SER A 7 4.339 0.644 -11.271 1.00 23.02 C ATOM 108 O SER A 7 4.284 1.226 -12.353 1.00 2.00 O ATOM 109 CB SER A 7 4.261 -1.769 -10.580 1.00 14.02 C ATOM 110 OG SER A 7 4.917 -3.033 -10.615 1.00 63.25 O ATOM 0 H SER A 7 6.147 -0.675 -9.282 1.00 61.32 H new ATOM 0 HA SER A 7 5.513 -0.953 -12.104 1.00 3.04 H new ATOM 0 HB2 SER A 7 3.973 -1.538 -9.554 1.00 14.02 H new ATOM 0 HB3 SER A 7 3.343 -1.821 -11.165 1.00 14.02 H new ATOM 0 HG SER A 7 4.319 -3.722 -10.258 1.00 63.25 H new ATOM 116 N GLU A 8 3.733 1.054 -10.167 1.00 34.35 N ATOM 117 CA GLU A 8 2.930 2.265 -10.159 1.00 1.00 C ATOM 118 C GLU A 8 3.593 3.346 -11.016 1.00 35.14 C ATOM 119 O GLU A 8 2.962 3.906 -11.911 1.00 65.35 O ATOM 120 CB GLU A 8 2.701 2.762 -8.730 1.00 73.23 C ATOM 121 CG GLU A 8 1.861 4.041 -8.723 1.00 22.14 C ATOM 122 CD GLU A 8 2.752 5.282 -8.805 1.00 42.03 C ATOM 123 OE1 GLU A 8 3.104 5.720 -9.911 1.00 11.23 O ATOM 124 OE2 GLU A 8 3.079 5.795 -7.668 1.00 12.42 O ATOM 0 H GLU A 8 3.782 0.569 -9.271 1.00 34.35 H new ATOM 0 HA GLU A 8 1.955 2.035 -10.589 1.00 1.00 H new ATOM 0 HB2 GLU A 8 2.198 1.989 -8.148 1.00 73.23 H new ATOM 0 HB3 GLU A 8 3.661 2.950 -8.248 1.00 73.23 H new ATOM 0 HG2 GLU A 8 1.168 4.030 -9.564 1.00 22.14 H new ATOM 0 HG3 GLU A 8 1.259 4.080 -7.815 1.00 22.14 H new ATOM 132 N TYR A 9 4.855 3.607 -10.710 1.00 60.01 N ATOM 133 CA TYR A 9 5.610 4.611 -11.441 1.00 33.11 C ATOM 134 C TYR A 9 6.651 3.958 -12.353 1.00 13.23 C ATOM 135 O TYR A 9 7.082 2.834 -12.103 1.00 73.43 O ATOM 136 CB TYR A 9 6.330 5.450 -10.383 1.00 72.33 C ATOM 137 CG TYR A 9 5.529 6.659 -9.897 1.00 52.10 C ATOM 138 CD1 TYR A 9 5.089 7.604 -10.801 1.00 53.23 C ATOM 139 CD2 TYR A 9 5.246 6.805 -8.554 1.00 4.11 C ATOM 140 CE1 TYR A 9 4.335 8.743 -10.344 1.00 31.54 C ATOM 141 CE2 TYR A 9 4.492 7.943 -8.096 1.00 45.42 C ATOM 142 CZ TYR A 9 4.074 8.856 -9.014 1.00 30.04 C ATOM 143 OH TYR A 9 3.362 9.931 -8.581 1.00 50.03 O ATOM 0 H TYR A 9 5.374 3.141 -9.966 1.00 60.01 H new ATOM 0 HA TYR A 9 4.948 5.208 -12.068 1.00 33.11 H new ATOM 0 HB2 TYR A 9 6.565 4.815 -9.529 1.00 72.33 H new ATOM 0 HB3 TYR A 9 7.279 5.797 -10.793 1.00 72.33 H new ATOM 0 HD1 TYR A 9 5.310 7.490 -11.852 1.00 53.23 H new ATOM 0 HD2 TYR A 9 5.590 6.065 -7.846 1.00 4.11 H new ATOM 0 HE1 TYR A 9 3.985 9.490 -11.041 1.00 31.54 H new ATOM 0 HE2 TYR A 9 4.264 8.069 -7.048 1.00 45.42 H new ATOM 0 HH TYR A 9 3.251 9.880 -7.609 1.00 50.03 H new ATOM 153 N PRO A 10 7.035 4.711 -13.418 1.00 55.40 N ATOM 154 CA PRO A 10 8.017 4.218 -14.368 1.00 52.23 C ATOM 155 C PRO A 10 9.427 4.273 -13.777 1.00 61.04 C ATOM 156 O PRO A 10 9.633 4.839 -12.705 1.00 41.20 O ATOM 157 CB PRO A 10 7.853 5.098 -15.596 1.00 53.54 C ATOM 158 CG PRO A 10 7.115 6.340 -15.123 1.00 52.45 C ATOM 159 CD PRO A 10 6.545 6.048 -13.745 1.00 24.40 C ATOM 0 HA PRO A 10 7.866 3.169 -14.623 1.00 52.23 H new ATOM 0 HB2 PRO A 10 8.822 5.358 -16.022 1.00 53.54 H new ATOM 0 HB3 PRO A 10 7.290 4.582 -16.374 1.00 53.54 H new ATOM 0 HG2 PRO A 10 7.791 7.194 -15.083 1.00 52.45 H new ATOM 0 HG3 PRO A 10 6.317 6.598 -15.819 1.00 52.45 H new ATOM 0 HD2 PRO A 10 6.881 6.783 -13.013 1.00 24.40 H new ATOM 0 HD3 PRO A 10 5.455 6.080 -13.752 1.00 24.40 H new ATOM 167 N PHE A 11 10.362 3.677 -14.503 1.00 73.10 N ATOM 168 CA PHE A 11 11.747 3.651 -14.064 1.00 73.12 C ATOM 169 C PHE A 11 12.500 4.889 -14.554 1.00 65.01 C ATOM 170 O PHE A 11 13.349 5.425 -13.843 1.00 52.30 O ATOM 171 CB PHE A 11 12.386 2.403 -14.677 1.00 5.42 C ATOM 172 CG PHE A 11 12.615 2.499 -16.187 1.00 22.14 C ATOM 173 CD1 PHE A 11 13.705 3.154 -16.669 1.00 53.32 C ATOM 174 CD2 PHE A 11 11.729 1.928 -17.046 1.00 51.30 C ATOM 175 CE1 PHE A 11 13.917 3.243 -18.070 1.00 60.25 C ATOM 176 CE2 PHE A 11 11.941 2.017 -18.447 1.00 62.22 C ATOM 177 CZ PHE A 11 13.031 2.672 -18.930 1.00 13.21 C ATOM 0 H PHE A 11 10.187 3.209 -15.392 1.00 73.10 H new ATOM 0 HA PHE A 11 11.793 3.639 -12.975 1.00 73.12 H new ATOM 0 HB2 PHE A 11 13.341 2.218 -14.186 1.00 5.42 H new ATOM 0 HB3 PHE A 11 11.750 1.543 -14.470 1.00 5.42 H new ATOM 0 HD1 PHE A 11 14.409 3.606 -15.986 1.00 53.32 H new ATOM 0 HD2 PHE A 11 10.864 1.407 -16.663 1.00 51.30 H new ATOM 0 HE1 PHE A 11 14.782 3.764 -18.453 1.00 60.25 H new ATOM 0 HE2 PHE A 11 11.237 1.565 -19.129 1.00 62.22 H new ATOM 0 HZ PHE A 11 13.193 2.739 -19.996 1.00 13.21 H new ATOM 187 N GLU A 12 12.164 5.307 -15.765 1.00 74.34 N ATOM 188 CA GLU A 12 12.798 6.472 -16.359 1.00 20.44 C ATOM 189 C GLU A 12 12.683 7.674 -15.420 1.00 2.31 C ATOM 190 O GLU A 12 13.510 8.584 -15.466 1.00 64.51 O ATOM 191 CB GLU A 12 12.195 6.786 -17.729 1.00 12.20 C ATOM 192 CG GLU A 12 12.832 5.923 -18.820 1.00 0.12 C ATOM 193 CD GLU A 12 12.756 6.616 -20.182 1.00 15.02 C ATOM 194 OE1 GLU A 12 13.797 6.935 -20.774 1.00 40.04 O ATOM 195 OE2 GLU A 12 11.561 6.820 -20.623 1.00 52.33 O ATOM 0 H GLU A 12 11.460 4.859 -16.352 1.00 74.34 H new ATOM 0 HA GLU A 12 13.855 6.251 -16.507 1.00 20.44 H new ATOM 0 HB2 GLU A 12 11.119 6.612 -17.705 1.00 12.20 H new ATOM 0 HB3 GLU A 12 12.343 7.840 -17.962 1.00 12.20 H new ATOM 0 HG2 GLU A 12 13.873 5.722 -18.568 1.00 0.12 H new ATOM 0 HG3 GLU A 12 12.324 4.960 -18.869 1.00 0.12 H new ATOM 203 N LYS A 13 11.651 7.640 -14.590 1.00 10.40 N ATOM 204 CA LYS A 13 11.417 8.716 -13.642 1.00 3.42 C ATOM 205 C LYS A 13 12.620 8.833 -12.703 1.00 50.53 C ATOM 206 O LYS A 13 13.361 9.813 -12.758 1.00 3.51 O ATOM 207 CB LYS A 13 10.087 8.510 -12.914 1.00 63.03 C ATOM 208 CG LYS A 13 8.923 9.074 -13.730 1.00 55.15 C ATOM 209 CD LYS A 13 8.660 10.538 -13.372 1.00 43.31 C ATOM 210 CE LYS A 13 9.734 11.450 -13.970 1.00 31.31 C ATOM 211 NZ LYS A 13 10.873 11.592 -13.035 1.00 74.51 N ATOM 0 H LYS A 13 10.967 6.884 -14.554 1.00 10.40 H new ATOM 0 HA LYS A 13 11.324 9.669 -14.163 1.00 3.42 H new ATOM 0 HB2 LYS A 13 9.928 7.447 -12.733 1.00 63.03 H new ATOM 0 HB3 LYS A 13 10.122 8.997 -11.939 1.00 63.03 H new ATOM 0 HG2 LYS A 13 9.146 8.991 -14.794 1.00 55.15 H new ATOM 0 HG3 LYS A 13 8.025 8.484 -13.545 1.00 55.15 H new ATOM 0 HD2 LYS A 13 7.678 10.836 -13.741 1.00 43.31 H new ATOM 0 HD3 LYS A 13 8.642 10.654 -12.288 1.00 43.31 H new ATOM 0 HE2 LYS A 13 10.083 11.039 -14.917 1.00 31.31 H new ATOM 0 HE3 LYS A 13 9.308 12.430 -14.186 1.00 31.31 H new ATOM 0 HZ1 LYS A 13 10.898 12.563 -12.663 1.00 74.51 H new ATOM 0 HZ2 LYS A 13 10.761 10.922 -12.247 1.00 74.51 H new ATOM 0 HZ3 LYS A 13 11.761 11.391 -13.537 1.00 74.51 H new ATOM 224 N ARG A 14 12.776 7.820 -11.864 1.00 41.12 N ATOM 225 CA ARG A 14 13.876 7.797 -10.915 1.00 41.01 C ATOM 226 C ARG A 14 15.212 7.945 -11.647 1.00 33.22 C ATOM 227 O ARG A 14 16.219 8.305 -11.040 1.00 43.11 O ATOM 228 CB ARG A 14 13.884 6.495 -10.112 1.00 74.43 C ATOM 229 CG ARG A 14 12.490 6.180 -9.566 1.00 32.54 C ATOM 230 CD ARG A 14 11.805 7.446 -9.047 1.00 71.24 C ATOM 231 NE ARG A 14 12.568 8.004 -7.908 1.00 73.34 N ATOM 232 CZ ARG A 14 12.049 8.848 -6.991 1.00 44.25 C ATOM 233 NH1 ARG A 14 10.760 9.240 -7.072 1.00 70.14 N ATOM 234 NH2 ARG A 14 12.822 9.285 -6.015 1.00 3.32 N ATOM 0 H ARG A 14 12.159 7.009 -11.822 1.00 41.12 H new ATOM 0 HA ARG A 14 13.739 8.633 -10.229 1.00 41.01 H new ATOM 0 HB2 ARG A 14 14.225 5.675 -10.745 1.00 74.43 H new ATOM 0 HB3 ARG A 14 14.592 6.576 -9.287 1.00 74.43 H new ATOM 0 HG2 ARG A 14 11.882 5.729 -10.350 1.00 32.54 H new ATOM 0 HG3 ARG A 14 12.567 5.448 -8.762 1.00 32.54 H new ATOM 0 HD2 ARG A 14 11.735 8.185 -9.845 1.00 71.24 H new ATOM 0 HD3 ARG A 14 10.786 7.216 -8.735 1.00 71.24 H new ATOM 0 HE ARG A 14 13.547 7.734 -7.810 1.00 73.34 H new ATOM 0 HH11 ARG A 14 10.170 8.898 -7.830 1.00 70.14 H new ATOM 0 HH12 ARG A 14 10.376 9.878 -6.375 1.00 70.14 H new ATOM 0 HH21 ARG A 14 13.795 8.985 -5.962 1.00 3.32 H new ATOM 0 HH22 ARG A 14 12.446 9.923 -5.314 1.00 3.32 H new ATOM 247 N LYS A 15 15.176 7.659 -12.940 1.00 4.10 N ATOM 248 CA LYS A 15 16.372 7.756 -13.761 1.00 35.33 C ATOM 249 C LYS A 15 16.805 9.220 -13.852 1.00 4.11 C ATOM 250 O LYS A 15 17.973 9.540 -13.634 1.00 12.12 O ATOM 251 CB LYS A 15 16.141 7.097 -15.122 1.00 63.42 C ATOM 252 CG LYS A 15 17.470 6.810 -15.824 1.00 62.32 C ATOM 253 CD LYS A 15 17.239 6.178 -17.198 1.00 61.42 C ATOM 254 CE LYS A 15 18.519 6.205 -18.036 1.00 71.53 C ATOM 255 NZ LYS A 15 18.622 7.478 -18.784 1.00 21.31 N ATOM 0 H LYS A 15 14.338 7.360 -13.440 1.00 4.10 H new ATOM 0 HA LYS A 15 17.195 7.208 -13.303 1.00 35.33 H new ATOM 0 HB2 LYS A 15 15.587 6.168 -14.991 1.00 63.42 H new ATOM 0 HB3 LYS A 15 15.529 7.748 -15.746 1.00 63.42 H new ATOM 0 HG2 LYS A 15 18.034 7.736 -15.936 1.00 62.32 H new ATOM 0 HG3 LYS A 15 18.073 6.142 -15.209 1.00 62.32 H new ATOM 0 HD2 LYS A 15 16.901 5.149 -17.077 1.00 61.42 H new ATOM 0 HD3 LYS A 15 16.447 6.714 -17.720 1.00 61.42 H new ATOM 0 HE2 LYS A 15 19.387 6.086 -17.388 1.00 71.53 H new ATOM 0 HE3 LYS A 15 18.523 5.366 -18.732 1.00 71.53 H new ATOM 0 HZ1 LYS A 15 19.496 7.480 -19.347 1.00 21.31 H new ATOM 0 HZ2 LYS A 15 17.802 7.576 -19.416 1.00 21.31 H new ATOM 0 HZ3 LYS A 15 18.640 8.274 -18.114 1.00 21.31 H new ATOM 268 N ALA A 16 15.842 10.070 -14.174 1.00 51.45 N ATOM 269 CA ALA A 16 16.110 11.493 -14.297 1.00 53.32 C ATOM 270 C ALA A 16 16.745 12.002 -13.001 1.00 75.04 C ATOM 271 O ALA A 16 17.689 12.789 -13.036 1.00 12.40 O ATOM 272 CB ALA A 16 14.813 12.229 -14.639 1.00 53.31 C ATOM 0 H ALA A 16 14.875 9.801 -14.354 1.00 51.45 H new ATOM 0 HA ALA A 16 16.815 11.682 -15.106 1.00 53.32 H new ATOM 0 HB1 ALA A 16 15.014 13.296 -14.731 1.00 53.31 H new ATOM 0 HB2 ALA A 16 14.418 11.851 -15.582 1.00 53.31 H new ATOM 0 HB3 ALA A 16 14.082 12.065 -13.848 1.00 53.31 H new ATOM 278 N GLU A 17 16.201 11.531 -11.889 1.00 15.01 N ATOM 279 CA GLU A 17 16.702 11.928 -10.584 1.00 51.32 C ATOM 280 C GLU A 17 18.106 11.363 -10.360 1.00 73.52 C ATOM 281 O GLU A 17 18.849 11.854 -9.512 1.00 33.31 O ATOM 282 CB GLU A 17 15.749 11.486 -9.472 1.00 74.24 C ATOM 283 CG GLU A 17 15.969 12.309 -8.202 1.00 35.04 C ATOM 284 CD GLU A 17 15.171 11.732 -7.030 1.00 5.11 C ATOM 285 OE1 GLU A 17 14.184 12.342 -6.592 1.00 25.53 O ATOM 286 OE2 GLU A 17 15.610 10.608 -6.573 1.00 73.03 O ATOM 0 H GLU A 17 15.418 10.878 -11.865 1.00 15.01 H new ATOM 0 HA GLU A 17 16.760 13.016 -10.555 1.00 51.32 H new ATOM 0 HB2 GLU A 17 14.718 11.596 -9.807 1.00 74.24 H new ATOM 0 HB3 GLU A 17 15.902 10.429 -9.256 1.00 74.24 H new ATOM 0 HG2 GLU A 17 17.030 12.323 -7.953 1.00 35.04 H new ATOM 0 HG3 GLU A 17 15.669 13.342 -8.377 1.00 35.04 H new ATOM 294 N SER A 18 18.427 10.337 -11.136 1.00 14.42 N ATOM 295 CA SER A 18 19.728 9.700 -11.033 1.00 21.53 C ATOM 296 C SER A 18 20.736 10.418 -11.932 1.00 73.04 C ATOM 297 O SER A 18 21.906 10.550 -11.578 1.00 21.00 O ATOM 298 CB SER A 18 19.646 8.218 -11.405 1.00 22.21 C ATOM 299 OG SER A 18 19.894 8.001 -12.791 1.00 41.25 O ATOM 0 H SER A 18 17.808 9.932 -11.838 1.00 14.42 H new ATOM 0 HA SER A 18 20.062 9.769 -9.998 1.00 21.53 H new ATOM 0 HB2 SER A 18 20.370 7.656 -10.815 1.00 22.21 H new ATOM 0 HB3 SER A 18 18.659 7.834 -11.149 1.00 22.21 H new ATOM 0 HG SER A 18 19.123 8.308 -13.313 1.00 41.25 H new ATOM 305 N GLU A 19 20.244 10.864 -13.079 1.00 61.52 N ATOM 306 CA GLU A 19 21.087 11.565 -14.033 1.00 12.25 C ATOM 307 C GLU A 19 21.638 12.849 -13.409 1.00 41.12 C ATOM 308 O GLU A 19 22.707 13.320 -13.793 1.00 44.43 O ATOM 309 CB GLU A 19 20.322 11.867 -15.323 1.00 32.24 C ATOM 310 CG GLU A 19 19.867 10.575 -16.005 1.00 52.10 C ATOM 311 CD GLU A 19 20.951 10.038 -16.941 1.00 5.11 C ATOM 312 OE1 GLU A 19 21.316 8.856 -16.854 1.00 11.02 O ATOM 313 OE2 GLU A 19 21.419 10.896 -17.783 1.00 10.30 O ATOM 0 H GLU A 19 19.272 10.753 -13.369 1.00 61.52 H new ATOM 0 HA GLU A 19 21.926 10.919 -14.291 1.00 12.25 H new ATOM 0 HB2 GLU A 19 19.455 12.489 -15.099 1.00 32.24 H new ATOM 0 HB3 GLU A 19 20.957 12.437 -16.002 1.00 32.24 H new ATOM 0 HG2 GLU A 19 19.629 9.825 -15.250 1.00 52.10 H new ATOM 0 HG3 GLU A 19 18.953 10.760 -16.569 1.00 52.10 H new ATOM 321 N ARG A 20 20.883 13.379 -12.458 1.00 24.53 N ATOM 322 CA ARG A 20 21.283 14.599 -11.777 1.00 61.34 C ATOM 323 C ARG A 20 22.275 14.281 -10.657 1.00 1.13 C ATOM 324 O ARG A 20 23.279 14.973 -10.497 1.00 45.13 O ATOM 325 CB ARG A 20 20.071 15.322 -11.187 1.00 3.24 C ATOM 326 CG ARG A 20 19.126 15.800 -12.291 1.00 32.42 C ATOM 327 CD ARG A 20 17.739 16.115 -11.727 1.00 30.14 C ATOM 328 NE ARG A 20 16.905 16.759 -12.765 1.00 54.32 N ATOM 329 CZ ARG A 20 15.585 17.007 -12.629 1.00 55.25 C ATOM 330 NH1 ARG A 20 14.936 16.666 -11.495 1.00 64.14 N ATOM 331 NH2 ARG A 20 14.937 17.588 -13.622 1.00 51.12 N ATOM 0 H ARG A 20 19.996 12.986 -12.143 1.00 24.53 H new ATOM 0 HA ARG A 20 21.757 15.249 -12.512 1.00 61.34 H new ATOM 0 HB2 ARG A 20 19.538 14.653 -10.511 1.00 3.24 H new ATOM 0 HB3 ARG A 20 20.404 16.174 -10.595 1.00 3.24 H new ATOM 0 HG2 ARG A 20 19.539 16.689 -12.768 1.00 32.42 H new ATOM 0 HG3 ARG A 20 19.044 15.033 -13.061 1.00 32.42 H new ATOM 0 HD2 ARG A 20 17.261 15.198 -11.382 1.00 30.14 H new ATOM 0 HD3 ARG A 20 17.830 16.772 -10.862 1.00 30.14 H new ATOM 0 HE ARG A 20 17.355 17.033 -13.638 1.00 54.32 H new ATOM 0 HH11 ARG A 20 15.443 16.217 -10.732 1.00 64.14 H new ATOM 0 HH12 ARG A 20 13.939 16.857 -11.401 1.00 64.14 H new ATOM 0 HH21 ARG A 20 15.434 17.842 -14.476 1.00 51.12 H new ATOM 0 HH22 ARG A 20 13.939 17.782 -13.535 1.00 51.12 H new ATOM 344 N ILE A 21 21.959 13.234 -9.909 1.00 71.01 N ATOM 345 CA ILE A 21 22.810 12.816 -8.808 1.00 11.21 C ATOM 346 C ILE A 21 24.149 12.325 -9.362 1.00 10.32 C ATOM 347 O ILE A 21 25.183 12.465 -8.710 1.00 71.13 O ATOM 348 CB ILE A 21 22.090 11.786 -7.936 1.00 22.34 C ATOM 349 CG1 ILE A 21 21.052 12.459 -7.035 1.00 62.32 C ATOM 350 CG2 ILE A 21 23.091 10.952 -7.133 1.00 1.11 C ATOM 351 CD1 ILE A 21 20.042 11.439 -6.506 1.00 30.12 C ATOM 0 H ILE A 21 21.125 12.663 -10.044 1.00 71.01 H new ATOM 0 HA ILE A 21 23.026 13.659 -8.152 1.00 11.21 H new ATOM 0 HB ILE A 21 21.552 11.101 -8.591 1.00 22.34 H new ATOM 0 HG12 ILE A 21 21.553 12.947 -6.199 1.00 62.32 H new ATOM 0 HG13 ILE A 21 20.531 13.237 -7.593 1.00 62.32 H new ATOM 0 HG21 ILE A 21 22.553 10.227 -6.522 1.00 1.11 H new ATOM 0 HG22 ILE A 21 23.758 10.426 -7.817 1.00 1.11 H new ATOM 0 HG23 ILE A 21 23.676 11.608 -6.488 1.00 1.11 H new ATOM 0 HD11 ILE A 21 19.316 11.943 -5.869 1.00 30.12 H new ATOM 0 HD12 ILE A 21 19.526 10.970 -7.344 1.00 30.12 H new ATOM 0 HD13 ILE A 21 20.564 10.676 -5.928 1.00 30.12 H new ATOM 363 N ALA A 22 24.087 11.760 -10.559 1.00 14.44 N ATOM 364 CA ALA A 22 25.281 11.248 -11.208 1.00 24.15 C ATOM 365 C ALA A 22 26.009 12.397 -11.907 1.00 44.52 C ATOM 366 O ALA A 22 27.233 12.500 -11.832 1.00 32.44 O ATOM 367 CB ALA A 22 24.896 10.127 -12.175 1.00 22.01 C ATOM 0 H ALA A 22 23.228 11.646 -11.096 1.00 14.44 H new ATOM 0 HA ALA A 22 25.965 10.823 -10.473 1.00 24.15 H new ATOM 0 HB1 ALA A 22 25.792 9.743 -12.662 1.00 22.01 H new ATOM 0 HB2 ALA A 22 24.409 9.322 -11.624 1.00 22.01 H new ATOM 0 HB3 ALA A 22 24.212 10.516 -12.929 1.00 22.01 H new ATOM 373 N ASP A 23 25.226 13.234 -12.572 1.00 61.24 N ATOM 374 CA ASP A 23 25.781 14.372 -13.285 1.00 51.10 C ATOM 375 C ASP A 23 26.581 15.238 -12.310 1.00 64.20 C ATOM 376 O ASP A 23 27.710 15.628 -12.604 1.00 3.22 O ATOM 377 CB ASP A 23 24.673 15.239 -13.886 1.00 72.35 C ATOM 378 CG ASP A 23 25.067 16.690 -14.166 1.00 51.40 C ATOM 379 OD1 ASP A 23 25.920 16.967 -15.023 1.00 32.15 O ATOM 380 OD2 ASP A 23 24.450 17.570 -13.452 1.00 21.12 O ATOM 0 H ASP A 23 24.212 13.147 -12.632 1.00 61.24 H new ATOM 0 HA ASP A 23 26.416 13.991 -14.085 1.00 51.10 H new ATOM 0 HB2 ASP A 23 24.341 14.782 -14.818 1.00 72.35 H new ATOM 0 HB3 ASP A 23 23.820 15.235 -13.207 1.00 72.35 H new ATOM 386 N ARG A 24 25.965 15.513 -11.170 1.00 25.43 N ATOM 387 CA ARG A 24 26.607 16.325 -10.150 1.00 34.04 C ATOM 388 C ARG A 24 27.600 15.483 -9.347 1.00 20.41 C ATOM 389 O ARG A 24 28.734 15.902 -9.119 1.00 55.43 O ATOM 390 CB ARG A 24 25.573 16.929 -9.196 1.00 63.44 C ATOM 391 CG ARG A 24 26.077 18.246 -8.604 1.00 44.33 C ATOM 392 CD ARG A 24 27.551 18.141 -8.207 1.00 63.24 C ATOM 393 NE ARG A 24 27.936 19.302 -7.375 1.00 15.33 N ATOM 394 CZ ARG A 24 28.268 20.513 -7.871 1.00 74.14 C ATOM 395 NH1 ARG A 24 28.265 20.731 -9.204 1.00 1.04 N ATOM 396 NH2 ARG A 24 28.595 21.480 -7.035 1.00 11.12 N ATOM 0 H ARG A 24 25.028 15.188 -10.930 1.00 25.43 H new ATOM 0 HA ARG A 24 27.136 17.133 -10.655 1.00 34.04 H new ATOM 0 HB2 ARG A 24 24.638 17.100 -9.729 1.00 63.44 H new ATOM 0 HB3 ARG A 24 25.358 16.224 -8.393 1.00 63.44 H new ATOM 0 HG2 ARG A 24 25.949 19.048 -9.331 1.00 44.33 H new ATOM 0 HG3 ARG A 24 25.479 18.509 -7.731 1.00 44.33 H new ATOM 0 HD2 ARG A 24 27.723 17.216 -7.656 1.00 63.24 H new ATOM 0 HD3 ARG A 24 28.175 18.101 -9.100 1.00 63.24 H new ATOM 0 HE ARG A 24 27.952 19.180 -6.362 1.00 15.33 H new ATOM 0 HH11 ARG A 24 28.011 19.978 -9.843 1.00 1.04 H new ATOM 0 HH12 ARG A 24 28.517 21.649 -9.571 1.00 1.04 H new ATOM 0 HH21 ARG A 24 28.595 21.307 -6.030 1.00 11.12 H new ATOM 0 HH22 ARG A 24 28.848 22.401 -7.394 1.00 11.12 H new ATOM 409 N PHE A 25 27.139 14.309 -8.940 1.00 54.10 N ATOM 410 CA PHE A 25 27.973 13.404 -8.168 1.00 14.14 C ATOM 411 C PHE A 25 27.946 11.994 -8.760 1.00 32.51 C ATOM 412 O PHE A 25 27.272 11.108 -8.234 1.00 45.54 O ATOM 413 CB PHE A 25 27.394 13.361 -6.752 1.00 11.00 C ATOM 414 CG PHE A 25 26.785 14.686 -6.288 1.00 62.10 C ATOM 415 CD1 PHE A 25 27.593 15.693 -5.862 1.00 4.24 C ATOM 416 CD2 PHE A 25 25.436 14.856 -6.302 1.00 50.32 C ATOM 417 CE1 PHE A 25 27.028 16.923 -5.431 1.00 64.21 C ATOM 418 CE2 PHE A 25 24.871 16.086 -5.872 1.00 21.23 C ATOM 419 CZ PHE A 25 25.679 17.093 -5.445 1.00 42.23 C ATOM 0 H PHE A 25 26.198 13.964 -9.131 1.00 54.10 H new ATOM 0 HA PHE A 25 29.006 13.752 -8.175 1.00 14.14 H new ATOM 0 HB2 PHE A 25 26.629 12.586 -6.707 1.00 11.00 H new ATOM 0 HB3 PHE A 25 28.182 13.072 -6.057 1.00 11.00 H new ATOM 0 HD1 PHE A 25 28.664 15.558 -5.851 1.00 4.24 H new ATOM 0 HD2 PHE A 25 24.794 14.056 -6.640 1.00 50.32 H new ATOM 0 HE1 PHE A 25 27.670 17.723 -5.092 1.00 64.21 H new ATOM 0 HE2 PHE A 25 23.800 16.222 -5.884 1.00 21.23 H new ATOM 0 HZ PHE A 25 25.249 18.028 -5.117 1.00 42.23 H new ATOM 429 N PRO A 26 28.706 11.824 -9.875 1.00 21.34 N ATOM 430 CA PRO A 26 28.776 10.536 -10.544 1.00 32.00 C ATOM 431 C PRO A 26 29.648 9.556 -9.757 1.00 63.44 C ATOM 432 O PRO A 26 29.814 8.405 -10.160 1.00 53.34 O ATOM 433 CB PRO A 26 29.325 10.841 -11.928 1.00 52.21 C ATOM 434 CG PRO A 26 29.977 12.211 -11.825 1.00 75.43 C ATOM 435 CD PRO A 26 29.517 12.849 -10.525 1.00 14.31 C ATOM 0 HA PRO A 26 27.805 10.045 -10.615 1.00 32.00 H new ATOM 0 HB2 PRO A 26 30.049 10.086 -12.236 1.00 52.21 H new ATOM 0 HB3 PRO A 26 28.529 10.842 -12.672 1.00 52.21 H new ATOM 0 HG2 PRO A 26 31.063 12.119 -11.842 1.00 75.43 H new ATOM 0 HG3 PRO A 26 29.696 12.832 -12.675 1.00 75.43 H new ATOM 0 HD2 PRO A 26 30.365 13.136 -9.903 1.00 14.31 H new ATOM 0 HD3 PRO A 26 28.938 13.753 -10.711 1.00 14.31 H new ATOM 443 N ASN A 27 30.183 10.047 -8.649 1.00 62.14 N ATOM 444 CA ASN A 27 31.034 9.228 -7.803 1.00 4.44 C ATOM 445 C ASN A 27 30.258 8.820 -6.549 1.00 40.11 C ATOM 446 O ASN A 27 30.854 8.487 -5.526 1.00 44.12 O ATOM 447 CB ASN A 27 32.277 10.003 -7.358 1.00 33.21 C ATOM 448 CG ASN A 27 32.868 10.804 -8.519 1.00 43.13 C ATOM 449 OD1 ASN A 27 33.225 11.964 -8.389 1.00 72.34 O ATOM 450 ND2 ASN A 27 32.952 10.123 -9.659 1.00 3.52 N ATOM 0 H ASN A 27 30.044 11.002 -8.318 1.00 62.14 H new ATOM 0 HA ASN A 27 31.340 8.354 -8.378 1.00 4.44 H new ATOM 0 HB2 ASN A 27 32.017 10.677 -6.542 1.00 33.21 H new ATOM 0 HB3 ASN A 27 33.024 9.309 -6.973 1.00 33.21 H new ATOM 0 HD21 ASN A 27 33.333 10.570 -10.493 1.00 3.52 H new ATOM 0 HD22 ASN A 27 32.635 9.154 -9.699 1.00 3.52 H new ATOM 457 N ARG A 28 28.939 8.859 -6.670 1.00 2.12 N ATOM 458 CA ARG A 28 28.075 8.497 -5.559 1.00 50.22 C ATOM 459 C ARG A 28 27.218 7.284 -5.927 1.00 13.40 C ATOM 460 O ARG A 28 27.347 6.737 -7.021 1.00 24.12 O ATOM 461 CB ARG A 28 27.160 9.661 -5.171 1.00 64.22 C ATOM 462 CG ARG A 28 27.952 10.774 -4.483 1.00 1.51 C ATOM 463 CD ARG A 28 27.992 10.563 -2.968 1.00 15.30 C ATOM 464 NE ARG A 28 28.154 11.863 -2.280 1.00 1.52 N ATOM 465 CZ ARG A 28 28.375 11.996 -0.955 1.00 11.04 C ATOM 466 NH1 ARG A 28 28.461 10.907 -0.162 1.00 64.41 N ATOM 467 NH2 ARG A 28 28.505 13.207 -0.445 1.00 73.14 N ATOM 0 H ARG A 28 28.448 9.136 -7.520 1.00 2.12 H new ATOM 0 HA ARG A 28 28.712 8.252 -4.709 1.00 50.22 H new ATOM 0 HB2 ARG A 28 26.670 10.055 -6.061 1.00 64.22 H new ATOM 0 HB3 ARG A 28 26.374 9.304 -4.506 1.00 64.22 H new ATOM 0 HG2 ARG A 28 28.968 10.799 -4.877 1.00 1.51 H new ATOM 0 HG3 ARG A 28 27.499 11.740 -4.707 1.00 1.51 H new ATOM 0 HD2 ARG A 28 27.074 10.078 -2.636 1.00 15.30 H new ATOM 0 HD3 ARG A 28 28.816 9.899 -2.707 1.00 15.30 H new ATOM 0 HE ARG A 28 28.095 12.712 -2.842 1.00 1.52 H new ATOM 0 HH11 ARG A 28 28.359 9.975 -0.563 1.00 64.41 H new ATOM 0 HH12 ARG A 28 28.628 11.016 0.838 1.00 64.41 H new ATOM 0 HH21 ARG A 28 28.438 14.025 -1.050 1.00 73.14 H new ATOM 0 HH22 ARG A 28 28.672 13.324 0.554 1.00 73.14 H new ATOM 480 N ILE A 29 26.361 6.900 -4.992 1.00 51.33 N ATOM 481 CA ILE A 29 25.483 5.762 -5.204 1.00 55.34 C ATOM 482 C ILE A 29 24.114 6.057 -4.586 1.00 45.42 C ATOM 483 O ILE A 29 23.897 5.807 -3.402 1.00 24.33 O ATOM 484 CB ILE A 29 26.131 4.480 -4.679 1.00 70.25 C ATOM 485 CG1 ILE A 29 27.599 4.395 -5.103 1.00 32.43 C ATOM 486 CG2 ILE A 29 25.337 3.246 -5.114 1.00 14.42 C ATOM 487 CD1 ILE A 29 28.117 2.959 -5.000 1.00 34.40 C ATOM 0 H ILE A 29 26.256 7.357 -4.086 1.00 51.33 H new ATOM 0 HA ILE A 29 25.323 5.598 -6.270 1.00 55.34 H new ATOM 0 HB ILE A 29 26.111 4.508 -3.590 1.00 70.25 H new ATOM 0 HG12 ILE A 29 27.707 4.752 -6.127 1.00 32.43 H new ATOM 0 HG13 ILE A 29 28.202 5.049 -4.473 1.00 32.43 H new ATOM 0 HG21 ILE A 29 25.819 2.348 -4.727 1.00 14.42 H new ATOM 0 HG22 ILE A 29 24.322 3.310 -4.722 1.00 14.42 H new ATOM 0 HG23 ILE A 29 25.304 3.200 -6.203 1.00 14.42 H new ATOM 0 HD11 ILE A 29 29.162 2.926 -5.307 1.00 34.40 H new ATOM 0 HD12 ILE A 29 28.030 2.614 -3.970 1.00 34.40 H new ATOM 0 HD13 ILE A 29 27.528 2.312 -5.650 1.00 34.40 H new ATOM 499 N PRO A 30 23.204 6.600 -5.438 1.00 73.21 N ATOM 500 CA PRO A 30 21.863 6.932 -4.988 1.00 33.31 C ATOM 501 C PRO A 30 21.011 5.671 -4.825 1.00 61.12 C ATOM 502 O PRO A 30 20.548 5.099 -5.811 1.00 21.23 O ATOM 503 CB PRO A 30 21.319 7.884 -6.040 1.00 52.12 C ATOM 504 CG PRO A 30 22.189 7.687 -7.271 1.00 4.04 C ATOM 505 CD PRO A 30 23.425 6.910 -6.847 1.00 45.43 C ATOM 0 HA PRO A 30 21.854 7.400 -4.004 1.00 33.31 H new ATOM 0 HB2 PRO A 30 20.274 7.666 -6.261 1.00 52.12 H new ATOM 0 HB3 PRO A 30 21.362 8.916 -5.692 1.00 52.12 H new ATOM 0 HG2 PRO A 30 21.642 7.144 -8.042 1.00 4.04 H new ATOM 0 HG3 PRO A 30 22.471 8.650 -7.698 1.00 4.04 H new ATOM 0 HD2 PRO A 30 23.544 6.002 -7.438 1.00 45.43 H new ATOM 0 HD3 PRO A 30 24.331 7.501 -6.985 1.00 45.43 H new ATOM 513 N VAL A 31 20.830 5.275 -3.574 1.00 3.12 N ATOM 514 CA VAL A 31 20.042 4.093 -3.269 1.00 65.33 C ATOM 515 C VAL A 31 18.649 4.520 -2.805 1.00 34.32 C ATOM 516 O VAL A 31 18.477 5.613 -2.267 1.00 63.33 O ATOM 517 CB VAL A 31 20.775 3.226 -2.243 1.00 60.33 C ATOM 518 CG1 VAL A 31 19.796 2.324 -1.489 1.00 21.11 C ATOM 519 CG2 VAL A 31 21.878 2.401 -2.910 1.00 0.20 C ATOM 0 H VAL A 31 21.216 5.752 -2.759 1.00 3.12 H new ATOM 0 HA VAL A 31 19.913 3.479 -4.160 1.00 65.33 H new ATOM 0 HB VAL A 31 21.246 3.890 -1.518 1.00 60.33 H new ATOM 0 HG11 VAL A 31 20.342 1.718 -0.766 1.00 21.11 H new ATOM 0 HG12 VAL A 31 19.063 2.939 -0.967 1.00 21.11 H new ATOM 0 HG13 VAL A 31 19.284 1.671 -2.196 1.00 21.11 H new ATOM 0 HG21 VAL A 31 22.383 1.794 -2.159 1.00 0.20 H new ATOM 0 HG22 VAL A 31 21.439 1.751 -3.667 1.00 0.20 H new ATOM 0 HG23 VAL A 31 22.599 3.070 -3.380 1.00 0.20 H new ATOM 529 N ILE A 32 17.688 3.635 -3.029 1.00 63.11 N ATOM 530 CA ILE A 32 16.315 3.906 -2.640 1.00 52.43 C ATOM 531 C ILE A 32 15.830 2.805 -1.695 1.00 53.33 C ATOM 532 O ILE A 32 15.323 1.777 -2.142 1.00 40.52 O ATOM 533 CB ILE A 32 15.433 4.087 -3.878 1.00 4.32 C ATOM 534 CG1 ILE A 32 15.602 5.487 -4.471 1.00 40.42 C ATOM 535 CG2 ILE A 32 13.970 3.772 -3.560 1.00 24.13 C ATOM 536 CD1 ILE A 32 14.634 6.479 -3.821 1.00 65.43 C ATOM 0 H ILE A 32 17.834 2.729 -3.475 1.00 63.11 H new ATOM 0 HA ILE A 32 16.253 4.846 -2.092 1.00 52.43 H new ATOM 0 HB ILE A 32 15.758 3.375 -4.636 1.00 4.32 H new ATOM 0 HG12 ILE A 32 16.628 5.826 -4.326 1.00 40.42 H new ATOM 0 HG13 ILE A 32 15.427 5.454 -5.546 1.00 40.42 H new ATOM 0 HG21 ILE A 32 13.365 3.909 -4.457 1.00 24.13 H new ATOM 0 HG22 ILE A 32 13.886 2.740 -3.219 1.00 24.13 H new ATOM 0 HG23 ILE A 32 13.615 4.443 -2.777 1.00 24.13 H new ATOM 0 HD11 ILE A 32 14.775 7.466 -4.261 1.00 65.43 H new ATOM 0 HD12 ILE A 32 13.609 6.150 -3.989 1.00 65.43 H new ATOM 0 HD13 ILE A 32 14.828 6.528 -2.750 1.00 65.43 H new ATOM 548 N CYS A 33 16.002 3.058 -0.406 1.00 72.11 N ATOM 549 CA CYS A 33 15.588 2.101 0.606 1.00 71.22 C ATOM 550 C CYS A 33 14.106 2.331 0.907 1.00 12.44 C ATOM 551 O CYS A 33 13.697 3.452 1.207 1.00 13.03 O ATOM 552 CB CYS A 33 16.449 2.202 1.866 1.00 3.23 C ATOM 553 SG CYS A 33 16.689 0.541 2.596 1.00 51.04 S ATOM 0 H CYS A 33 16.422 3.912 -0.039 1.00 72.11 H new ATOM 0 HA CYS A 33 15.728 1.087 0.230 1.00 71.22 H new ATOM 0 HB2 CYS A 33 17.415 2.644 1.622 1.00 3.23 H new ATOM 0 HB3 CYS A 33 15.971 2.861 2.591 1.00 3.23 H new ATOM 0 HG CYS A 33 17.588 0.604 3.533 1.00 51.04 H new ATOM 559 N GLU A 34 13.342 1.253 0.817 1.00 34.24 N ATOM 560 CA GLU A 34 11.914 1.324 1.077 1.00 74.41 C ATOM 561 C GLU A 34 11.565 0.542 2.346 1.00 44.54 C ATOM 562 O GLU A 34 12.213 -0.454 2.662 1.00 34.43 O ATOM 563 CB GLU A 34 11.113 0.809 -0.121 1.00 14.22 C ATOM 564 CG GLU A 34 11.903 -0.247 -0.896 1.00 35.31 C ATOM 565 CD GLU A 34 10.985 -1.046 -1.824 1.00 43.02 C ATOM 566 OE1 GLU A 34 10.266 -1.944 -1.362 1.00 73.04 O ATOM 567 OE2 GLU A 34 11.036 -0.704 -3.067 1.00 65.52 O ATOM 0 H GLU A 34 13.685 0.325 0.568 1.00 34.24 H new ATOM 0 HA GLU A 34 11.644 2.369 1.232 1.00 74.41 H new ATOM 0 HB2 GLU A 34 10.171 0.383 0.223 1.00 14.22 H new ATOM 0 HB3 GLU A 34 10.865 1.640 -0.781 1.00 14.22 H new ATOM 0 HG2 GLU A 34 12.686 0.236 -1.481 1.00 35.31 H new ATOM 0 HG3 GLU A 34 12.397 -0.922 -0.197 1.00 35.31 H new ATOM 575 N LYS A 35 10.544 1.025 3.037 1.00 33.05 N ATOM 576 CA LYS A 35 10.102 0.384 4.265 1.00 54.55 C ATOM 577 C LYS A 35 9.477 -0.971 3.930 1.00 35.43 C ATOM 578 O LYS A 35 8.804 -1.114 2.911 1.00 75.33 O ATOM 579 CB LYS A 35 9.173 1.313 5.049 1.00 11.22 C ATOM 580 CG LYS A 35 8.150 0.511 5.856 1.00 13.43 C ATOM 581 CD LYS A 35 8.833 -0.288 6.968 1.00 51.31 C ATOM 582 CE LYS A 35 8.521 0.308 8.342 1.00 31.13 C ATOM 583 NZ LYS A 35 7.071 0.570 8.476 1.00 15.42 N ATOM 0 H LYS A 35 10.010 1.852 2.771 1.00 33.05 H new ATOM 0 HA LYS A 35 10.950 0.191 4.922 1.00 54.55 H new ATOM 0 HB2 LYS A 35 9.761 1.939 5.720 1.00 11.22 H new ATOM 0 HB3 LYS A 35 8.656 1.981 4.361 1.00 11.22 H new ATOM 0 HG2 LYS A 35 7.413 1.187 6.289 1.00 13.43 H new ATOM 0 HG3 LYS A 35 7.611 -0.167 5.195 1.00 13.43 H new ATOM 0 HD2 LYS A 35 8.499 -1.325 6.933 1.00 51.31 H new ATOM 0 HD3 LYS A 35 9.911 -0.294 6.807 1.00 51.31 H new ATOM 0 HE2 LYS A 35 8.847 -0.377 9.125 1.00 31.13 H new ATOM 0 HE3 LYS A 35 9.078 1.235 8.478 1.00 31.13 H new ATOM 0 HZ1 LYS A 35 6.779 0.411 9.462 1.00 15.42 H new ATOM 0 HZ2 LYS A 35 6.870 1.555 8.210 1.00 15.42 H new ATOM 0 HZ3 LYS A 35 6.543 -0.072 7.851 1.00 15.42 H new ATOM 596 N ALA A 36 9.721 -1.933 4.809 1.00 43.42 N ATOM 597 CA ALA A 36 9.191 -3.272 4.620 1.00 72.12 C ATOM 598 C ALA A 36 8.082 -3.526 5.643 1.00 52.21 C ATOM 599 O ALA A 36 8.353 -3.671 6.834 1.00 54.01 O ATOM 600 CB ALA A 36 10.327 -4.291 4.727 1.00 70.13 C ATOM 0 H ALA A 36 10.279 -1.811 5.654 1.00 43.42 H new ATOM 0 HA ALA A 36 8.754 -3.375 3.627 1.00 72.12 H new ATOM 0 HB1 ALA A 36 9.929 -5.296 4.585 1.00 70.13 H new ATOM 0 HB2 ALA A 36 11.074 -4.085 3.960 1.00 70.13 H new ATOM 0 HB3 ALA A 36 10.789 -4.219 5.712 1.00 70.13 H new ATOM 606 N GLU A 37 6.857 -3.571 5.141 1.00 74.42 N ATOM 607 CA GLU A 37 5.705 -3.805 5.996 1.00 25.13 C ATOM 608 C GLU A 37 5.945 -5.026 6.886 1.00 31.25 C ATOM 609 O GLU A 37 5.611 -5.011 8.070 1.00 3.33 O ATOM 610 CB GLU A 37 4.431 -3.973 5.167 1.00 51.33 C ATOM 611 CG GLU A 37 4.379 -5.356 4.515 1.00 41.25 C ATOM 612 CD GLU A 37 3.094 -5.531 3.702 1.00 25.11 C ATOM 613 OE1 GLU A 37 2.009 -5.680 4.283 1.00 1.10 O ATOM 614 OE2 GLU A 37 3.252 -5.508 2.422 1.00 55.21 O ATOM 0 H GLU A 37 6.637 -3.449 4.153 1.00 74.42 H new ATOM 0 HA GLU A 37 5.569 -2.933 6.636 1.00 25.13 H new ATOM 0 HB2 GLU A 37 3.557 -3.834 5.804 1.00 51.33 H new ATOM 0 HB3 GLU A 37 4.390 -3.202 4.397 1.00 51.33 H new ATOM 0 HG2 GLU A 37 5.245 -5.489 3.866 1.00 41.25 H new ATOM 0 HG3 GLU A 37 4.435 -6.127 5.284 1.00 41.25 H new ATOM 622 N LYS A 38 6.521 -6.055 6.283 1.00 61.14 N ATOM 623 CA LYS A 38 6.809 -7.282 7.006 1.00 71.12 C ATOM 624 C LYS A 38 7.421 -6.936 8.365 1.00 60.33 C ATOM 625 O LYS A 38 7.151 -7.607 9.360 1.00 63.12 O ATOM 626 CB LYS A 38 7.679 -8.212 6.158 1.00 22.11 C ATOM 627 CG LYS A 38 6.884 -8.789 4.985 1.00 41.53 C ATOM 628 CD LYS A 38 7.681 -9.878 4.265 1.00 45.24 C ATOM 629 CE LYS A 38 7.219 -10.028 2.814 1.00 52.40 C ATOM 630 NZ LYS A 38 7.972 -9.109 1.932 1.00 5.51 N ATOM 0 H LYS A 38 6.796 -6.064 5.301 1.00 61.14 H new ATOM 0 HA LYS A 38 5.890 -7.834 7.201 1.00 71.12 H new ATOM 0 HB2 LYS A 38 8.543 -7.664 5.782 1.00 22.11 H new ATOM 0 HB3 LYS A 38 8.061 -9.024 6.777 1.00 22.11 H new ATOM 0 HG2 LYS A 38 5.943 -9.202 5.347 1.00 41.53 H new ATOM 0 HG3 LYS A 38 6.634 -7.993 4.284 1.00 41.53 H new ATOM 0 HD2 LYS A 38 8.743 -9.632 4.289 1.00 45.24 H new ATOM 0 HD3 LYS A 38 7.562 -10.827 4.788 1.00 45.24 H new ATOM 0 HE2 LYS A 38 7.363 -11.057 2.485 1.00 52.40 H new ATOM 0 HE3 LYS A 38 6.152 -9.817 2.742 1.00 52.40 H new ATOM 0 HZ1 LYS A 38 7.336 -8.364 1.582 1.00 5.51 H new ATOM 0 HZ2 LYS A 38 8.751 -8.675 2.467 1.00 5.51 H new ATOM 0 HZ3 LYS A 38 8.359 -9.640 1.126 1.00 5.51 H new ATOM 643 N SER A 39 8.234 -5.890 8.363 1.00 54.21 N ATOM 644 CA SER A 39 8.886 -5.447 9.583 1.00 2.22 C ATOM 645 C SER A 39 7.850 -4.877 10.554 1.00 74.32 C ATOM 646 O SER A 39 6.678 -4.741 10.206 1.00 34.14 O ATOM 647 CB SER A 39 9.963 -4.402 9.284 1.00 62.32 C ATOM 648 OG SER A 39 9.457 -3.073 9.374 1.00 64.15 O ATOM 0 H SER A 39 8.456 -5.336 7.536 1.00 54.21 H new ATOM 0 HA SER A 39 9.370 -6.308 10.043 1.00 2.22 H new ATOM 0 HB2 SER A 39 10.790 -4.523 9.984 1.00 62.32 H new ATOM 0 HB3 SER A 39 10.364 -4.570 8.284 1.00 62.32 H new ATOM 0 HG SER A 39 8.928 -2.869 8.574 1.00 64.15 H new ATOM 654 N ASP A 40 8.319 -4.560 11.751 1.00 1.24 N ATOM 655 CA ASP A 40 7.447 -4.008 12.775 1.00 65.12 C ATOM 656 C ASP A 40 7.957 -2.624 13.181 1.00 42.35 C ATOM 657 O ASP A 40 7.378 -1.976 14.051 1.00 5.14 O ATOM 658 CB ASP A 40 7.436 -4.892 14.023 1.00 34.23 C ATOM 659 CG ASP A 40 6.141 -4.844 14.837 1.00 30.42 C ATOM 660 OD1 ASP A 40 6.104 -5.263 16.004 1.00 42.11 O ATOM 661 OD2 ASP A 40 5.126 -4.345 14.218 1.00 74.14 O ATOM 0 H ASP A 40 9.292 -4.675 12.036 1.00 1.24 H new ATOM 0 HA ASP A 40 6.439 -3.950 12.365 1.00 65.12 H new ATOM 0 HB2 ASP A 40 7.620 -5.923 13.721 1.00 34.23 H new ATOM 0 HB3 ASP A 40 8.264 -4.596 14.667 1.00 34.23 H new ATOM 667 N ILE A 41 9.035 -2.211 12.530 1.00 61.10 N ATOM 668 CA ILE A 41 9.629 -0.916 12.812 1.00 4.51 C ATOM 669 C ILE A 41 8.750 0.185 12.215 1.00 30.00 C ATOM 670 O ILE A 41 7.906 -0.084 11.361 1.00 24.34 O ATOM 671 CB ILE A 41 11.080 -0.874 12.327 1.00 30.43 C ATOM 672 CG1 ILE A 41 11.164 -0.347 10.893 1.00 21.44 C ATOM 673 CG2 ILE A 41 11.746 -2.244 12.475 1.00 43.22 C ATOM 674 CD1 ILE A 41 12.554 -0.589 10.301 1.00 30.11 C ATOM 0 H ILE A 41 9.512 -2.751 11.808 1.00 61.10 H new ATOM 0 HA ILE A 41 9.671 -0.743 13.887 1.00 4.51 H new ATOM 0 HB ILE A 41 11.632 -0.177 12.958 1.00 30.43 H new ATOM 0 HG12 ILE A 41 10.411 -0.839 10.276 1.00 21.44 H new ATOM 0 HG13 ILE A 41 10.940 0.720 10.880 1.00 21.44 H new ATOM 0 HG21 ILE A 41 12.776 -2.188 12.124 1.00 43.22 H new ATOM 0 HG22 ILE A 41 11.736 -2.542 13.523 1.00 43.22 H new ATOM 0 HG23 ILE A 41 11.201 -2.979 11.884 1.00 43.22 H new ATOM 0 HD11 ILE A 41 12.587 -0.205 9.281 1.00 30.11 H new ATOM 0 HD12 ILE A 41 13.302 -0.076 10.906 1.00 30.11 H new ATOM 0 HD13 ILE A 41 12.765 -1.658 10.293 1.00 30.11 H new ATOM 686 N PRO A 42 8.983 1.434 12.700 1.00 24.22 N ATOM 687 CA PRO A 42 8.222 2.576 12.224 1.00 44.22 C ATOM 688 C PRO A 42 8.681 2.996 10.826 1.00 51.12 C ATOM 689 O PRO A 42 9.849 2.832 10.476 1.00 12.23 O ATOM 690 CB PRO A 42 8.439 3.657 13.270 1.00 44.42 C ATOM 691 CG PRO A 42 9.678 3.243 14.047 1.00 30.43 C ATOM 692 CD PRO A 42 9.974 1.790 13.711 1.00 4.25 C ATOM 0 HA PRO A 42 7.160 2.357 12.112 1.00 44.22 H new ATOM 0 HB2 PRO A 42 8.579 4.631 12.802 1.00 44.42 H new ATOM 0 HB3 PRO A 42 7.575 3.742 13.929 1.00 44.42 H new ATOM 0 HG2 PRO A 42 10.524 3.876 13.782 1.00 30.43 H new ATOM 0 HG3 PRO A 42 9.514 3.362 15.118 1.00 30.43 H new ATOM 0 HD2 PRO A 42 10.988 1.670 13.331 1.00 4.25 H new ATOM 0 HD3 PRO A 42 9.887 1.154 14.592 1.00 4.25 H new ATOM 700 N GLU A 43 7.737 3.530 10.064 1.00 64.42 N ATOM 701 CA GLU A 43 8.030 3.974 8.712 1.00 51.42 C ATOM 702 C GLU A 43 8.895 5.236 8.743 1.00 13.25 C ATOM 703 O GLU A 43 9.103 5.824 9.804 1.00 62.41 O ATOM 704 CB GLU A 43 6.741 4.213 7.922 1.00 23.42 C ATOM 705 CG GLU A 43 6.966 3.988 6.425 1.00 31.25 C ATOM 706 CD GLU A 43 5.675 3.537 5.739 1.00 30.31 C ATOM 707 OE1 GLU A 43 5.540 2.355 5.387 1.00 11.35 O ATOM 708 OE2 GLU A 43 4.792 4.463 5.576 1.00 61.14 O ATOM 0 H GLU A 43 6.769 3.665 10.357 1.00 64.42 H new ATOM 0 HA GLU A 43 8.588 3.187 8.205 1.00 51.42 H new ATOM 0 HB2 GLU A 43 5.960 3.542 8.281 1.00 23.42 H new ATOM 0 HB3 GLU A 43 6.390 5.231 8.092 1.00 23.42 H new ATOM 0 HG2 GLU A 43 7.324 4.909 5.965 1.00 31.25 H new ATOM 0 HG3 GLU A 43 7.742 3.236 6.279 1.00 31.25 H new ATOM 716 N ILE A 44 9.375 5.616 7.568 1.00 32.34 N ATOM 717 CA ILE A 44 10.212 6.797 7.448 1.00 2.03 C ATOM 718 C ILE A 44 9.466 7.867 6.648 1.00 21.41 C ATOM 719 O ILE A 44 8.287 7.704 6.337 1.00 43.34 O ATOM 720 CB ILE A 44 11.576 6.429 6.861 1.00 43.32 C ATOM 721 CG1 ILE A 44 11.432 5.387 5.750 1.00 52.44 C ATOM 722 CG2 ILE A 44 12.539 5.969 7.957 1.00 61.40 C ATOM 723 CD1 ILE A 44 12.762 5.171 5.024 1.00 14.34 C ATOM 0 H ILE A 44 9.200 5.126 6.690 1.00 32.34 H new ATOM 0 HA ILE A 44 10.418 7.220 8.431 1.00 2.03 H new ATOM 0 HB ILE A 44 12.006 7.323 6.410 1.00 43.32 H new ATOM 0 HG12 ILE A 44 11.088 4.444 6.174 1.00 52.44 H new ATOM 0 HG13 ILE A 44 10.674 5.712 5.038 1.00 52.44 H new ATOM 0 HG21 ILE A 44 13.501 5.714 7.512 1.00 61.40 H new ATOM 0 HG22 ILE A 44 12.676 6.772 8.682 1.00 61.40 H new ATOM 0 HG23 ILE A 44 12.127 5.093 8.459 1.00 61.40 H new ATOM 0 HD11 ILE A 44 12.631 4.426 4.239 1.00 14.34 H new ATOM 0 HD12 ILE A 44 13.091 6.111 4.581 1.00 14.34 H new ATOM 0 HD13 ILE A 44 13.512 4.823 5.734 1.00 14.34 H new ATOM 735 N ASP A 45 10.184 8.936 6.338 1.00 13.32 N ATOM 736 CA ASP A 45 9.604 10.032 5.580 1.00 4.43 C ATOM 737 C ASP A 45 9.508 9.633 4.107 1.00 63.25 C ATOM 738 O ASP A 45 8.424 9.643 3.526 1.00 12.52 O ATOM 739 CB ASP A 45 10.474 11.287 5.674 1.00 4.32 C ATOM 740 CG ASP A 45 9.789 12.584 5.238 1.00 72.44 C ATOM 741 OD1 ASP A 45 8.555 12.650 5.134 1.00 70.24 O ATOM 742 OD2 ASP A 45 10.587 13.568 4.996 1.00 30.21 O ATOM 0 H ASP A 45 11.162 9.067 6.598 1.00 13.32 H new ATOM 0 HA ASP A 45 8.618 10.244 5.994 1.00 4.43 H new ATOM 0 HB2 ASP A 45 10.811 11.401 6.704 1.00 4.32 H new ATOM 0 HB3 ASP A 45 11.364 11.140 5.062 1.00 4.32 H new ATOM 748 N LYS A 46 10.657 9.290 3.543 1.00 25.23 N ATOM 749 CA LYS A 46 10.717 8.888 2.148 1.00 34.53 C ATOM 750 C LYS A 46 11.955 8.018 1.925 1.00 64.11 C ATOM 751 O LYS A 46 12.644 7.655 2.878 1.00 52.44 O ATOM 752 CB LYS A 46 10.652 10.113 1.234 1.00 22.32 C ATOM 753 CG LYS A 46 12.006 10.822 1.172 1.00 5.21 C ATOM 754 CD LYS A 46 12.367 11.436 2.527 1.00 74.15 C ATOM 755 CE LYS A 46 13.334 12.609 2.357 1.00 24.31 C ATOM 756 NZ LYS A 46 13.755 13.128 3.677 1.00 10.45 N ATOM 0 H LYS A 46 11.555 9.282 4.028 1.00 25.23 H new ATOM 0 HA LYS A 46 9.850 8.280 1.889 1.00 34.53 H new ATOM 0 HB2 LYS A 46 10.351 9.808 0.232 1.00 22.32 H new ATOM 0 HB3 LYS A 46 9.892 10.804 1.599 1.00 22.32 H new ATOM 0 HG2 LYS A 46 12.778 10.113 0.873 1.00 5.21 H new ATOM 0 HG3 LYS A 46 11.977 11.602 0.411 1.00 5.21 H new ATOM 0 HD2 LYS A 46 11.461 11.776 3.029 1.00 74.15 H new ATOM 0 HD3 LYS A 46 12.819 10.677 3.165 1.00 74.15 H new ATOM 0 HE2 LYS A 46 14.208 12.288 1.790 1.00 24.31 H new ATOM 0 HE3 LYS A 46 12.855 13.403 1.783 1.00 24.31 H new ATOM 0 HZ1 LYS A 46 14.411 13.924 3.544 1.00 10.45 H new ATOM 0 HZ2 LYS A 46 12.920 13.452 4.205 1.00 10.45 H new ATOM 0 HZ3 LYS A 46 14.230 12.373 4.211 1.00 10.45 H new ATOM 769 N ARG A 47 12.201 7.708 0.660 1.00 5.34 N ATOM 770 CA ARG A 47 13.345 6.888 0.300 1.00 63.03 C ATOM 771 C ARG A 47 14.323 7.690 -0.562 1.00 74.45 C ATOM 772 O ARG A 47 14.057 7.942 -1.737 1.00 21.13 O ATOM 773 CB ARG A 47 12.907 5.638 -0.466 1.00 41.12 C ATOM 774 CG ARG A 47 11.950 6.000 -1.604 1.00 64.22 C ATOM 775 CD ARG A 47 10.507 5.649 -1.239 1.00 15.21 C ATOM 776 NE ARG A 47 9.570 6.364 -2.135 1.00 21.31 N ATOM 777 CZ ARG A 47 8.257 6.539 -1.874 1.00 22.45 C ATOM 778 NH1 ARG A 47 7.714 6.051 -0.738 1.00 11.22 N ATOM 779 NH2 ARG A 47 7.513 7.193 -2.745 1.00 53.21 N ATOM 0 H ARG A 47 11.628 8.010 -0.128 1.00 5.34 H new ATOM 0 HA ARG A 47 13.837 6.581 1.223 1.00 63.03 H new ATOM 0 HB2 ARG A 47 13.782 5.129 -0.870 1.00 41.12 H new ATOM 0 HB3 ARG A 47 12.420 4.941 0.216 1.00 41.12 H new ATOM 0 HG2 ARG A 47 12.025 7.065 -1.822 1.00 64.22 H new ATOM 0 HG3 ARG A 47 12.239 5.468 -2.510 1.00 64.22 H new ATOM 0 HD2 ARG A 47 10.353 4.573 -1.322 1.00 15.21 H new ATOM 0 HD3 ARG A 47 10.309 5.920 -0.202 1.00 15.21 H new ATOM 0 HE ARG A 47 9.940 6.749 -3.004 1.00 21.31 H new ATOM 0 HH11 ARG A 47 8.297 5.546 -0.070 1.00 11.22 H new ATOM 0 HH12 ARG A 47 6.721 6.187 -0.548 1.00 11.22 H new ATOM 0 HH21 ARG A 47 7.931 7.558 -3.601 1.00 53.21 H new ATOM 0 HH22 ARG A 47 6.519 7.334 -2.563 1.00 53.21 H new ATOM 792 N LYS A 48 15.433 8.068 0.054 1.00 72.32 N ATOM 793 CA LYS A 48 16.451 8.835 -0.643 1.00 0.53 C ATOM 794 C LYS A 48 17.789 8.676 0.082 1.00 30.41 C ATOM 795 O LYS A 48 18.010 9.286 1.127 1.00 40.23 O ATOM 796 CB LYS A 48 16.008 10.291 -0.803 1.00 4.34 C ATOM 797 CG LYS A 48 16.628 10.918 -2.053 1.00 55.44 C ATOM 798 CD LYS A 48 16.102 12.338 -2.273 1.00 14.34 C ATOM 799 CE LYS A 48 16.867 13.345 -1.412 1.00 14.35 C ATOM 800 NZ LYS A 48 16.631 14.724 -1.894 1.00 14.51 N ATOM 0 H LYS A 48 15.650 7.857 1.028 1.00 72.32 H new ATOM 0 HA LYS A 48 16.589 8.454 -1.655 1.00 0.53 H new ATOM 0 HB2 LYS A 48 14.921 10.339 -0.869 1.00 4.34 H new ATOM 0 HB3 LYS A 48 16.300 10.863 0.078 1.00 4.34 H new ATOM 0 HG2 LYS A 48 17.713 10.940 -1.953 1.00 55.44 H new ATOM 0 HG3 LYS A 48 16.400 10.303 -2.924 1.00 55.44 H new ATOM 0 HD2 LYS A 48 16.198 12.606 -3.325 1.00 14.34 H new ATOM 0 HD3 LYS A 48 15.040 12.378 -2.030 1.00 14.34 H new ATOM 0 HE2 LYS A 48 16.551 13.258 -0.373 1.00 14.35 H new ATOM 0 HE3 LYS A 48 17.933 13.121 -1.441 1.00 14.35 H new ATOM 0 HZ1 LYS A 48 17.157 15.395 -1.299 1.00 14.51 H new ATOM 0 HZ2 LYS A 48 16.954 14.808 -2.879 1.00 14.51 H new ATOM 0 HZ3 LYS A 48 15.615 14.940 -1.844 1.00 14.51 H new ATOM 813 N TYR A 49 18.647 7.851 -0.501 1.00 53.32 N ATOM 814 CA TYR A 49 19.957 7.603 0.076 1.00 50.30 C ATOM 815 C TYR A 49 21.064 7.851 -0.951 1.00 21.23 C ATOM 816 O TYR A 49 20.971 7.398 -2.091 1.00 12.53 O ATOM 817 CB TYR A 49 19.969 6.127 0.475 1.00 21.54 C ATOM 818 CG TYR A 49 18.862 5.738 1.458 1.00 41.45 C ATOM 819 CD1 TYR A 49 17.542 5.771 1.057 1.00 14.41 C ATOM 820 CD2 TYR A 49 19.184 5.355 2.744 1.00 53.42 C ATOM 821 CE1 TYR A 49 16.500 5.406 1.981 1.00 14.15 C ATOM 822 CE2 TYR A 49 18.142 4.990 3.668 1.00 13.11 C ATOM 823 CZ TYR A 49 16.851 5.033 3.241 1.00 1.53 C ATOM 824 OH TYR A 49 15.867 4.689 4.114 1.00 31.53 O ATOM 0 H TYR A 49 18.460 7.346 -1.367 1.00 53.32 H new ATOM 0 HA TYR A 49 20.136 8.266 0.922 1.00 50.30 H new ATOM 0 HB2 TYR A 49 19.873 5.518 -0.424 1.00 21.54 H new ATOM 0 HB3 TYR A 49 20.935 5.889 0.920 1.00 21.54 H new ATOM 0 HD1 TYR A 49 17.291 6.071 0.050 1.00 14.41 H new ATOM 0 HD2 TYR A 49 20.217 5.329 3.057 1.00 53.42 H new ATOM 0 HE1 TYR A 49 15.463 5.428 1.680 1.00 14.15 H new ATOM 0 HE2 TYR A 49 18.380 4.689 4.678 1.00 13.11 H new ATOM 0 HH TYR A 49 15.065 4.427 3.616 1.00 31.53 H new ATOM 834 N LEU A 50 22.087 8.568 -0.509 1.00 52.24 N ATOM 835 CA LEU A 50 23.211 8.881 -1.376 1.00 14.33 C ATOM 836 C LEU A 50 24.516 8.560 -0.646 1.00 4.11 C ATOM 837 O LEU A 50 24.969 9.336 0.194 1.00 2.02 O ATOM 838 CB LEU A 50 23.121 10.327 -1.868 1.00 51.12 C ATOM 839 CG LEU A 50 24.064 10.706 -3.012 1.00 24.24 C ATOM 840 CD1 LEU A 50 24.005 9.671 -4.137 1.00 51.21 C ATOM 841 CD2 LEU A 50 23.773 12.120 -3.517 1.00 41.22 C ATOM 0 H LEU A 50 22.161 8.941 0.437 1.00 52.24 H new ATOM 0 HA LEU A 50 23.186 8.261 -2.272 1.00 14.33 H new ATOM 0 HB2 LEU A 50 22.097 10.517 -2.189 1.00 51.12 H new ATOM 0 HB3 LEU A 50 23.319 10.990 -1.026 1.00 51.12 H new ATOM 0 HG LEU A 50 25.084 10.706 -2.628 1.00 24.24 H new ATOM 0 HD11 LEU A 50 24.684 9.964 -4.937 1.00 51.21 H new ATOM 0 HD12 LEU A 50 24.300 8.696 -3.750 1.00 51.21 H new ATOM 0 HD13 LEU A 50 22.989 9.615 -4.527 1.00 51.21 H new ATOM 0 HD21 LEU A 50 24.457 12.364 -4.330 1.00 41.22 H new ATOM 0 HD22 LEU A 50 22.746 12.173 -3.879 1.00 41.22 H new ATOM 0 HD23 LEU A 50 23.908 12.832 -2.703 1.00 41.22 H new ATOM 853 N VAL A 51 25.085 7.415 -0.993 1.00 71.13 N ATOM 854 CA VAL A 51 26.330 6.982 -0.382 1.00 33.52 C ATOM 855 C VAL A 51 27.443 7.002 -1.431 1.00 52.34 C ATOM 856 O VAL A 51 27.176 6.889 -2.627 1.00 20.53 O ATOM 857 CB VAL A 51 26.144 5.608 0.266 1.00 62.33 C ATOM 858 CG1 VAL A 51 25.871 5.741 1.765 1.00 33.11 C ATOM 859 CG2 VAL A 51 25.030 4.821 -0.427 1.00 71.03 C ATOM 0 H VAL A 51 24.706 6.774 -1.690 1.00 71.13 H new ATOM 0 HA VAL A 51 26.622 7.666 0.415 1.00 33.52 H new ATOM 0 HB VAL A 51 27.073 5.051 0.143 1.00 62.33 H new ATOM 0 HG11 VAL A 51 25.743 4.750 2.201 1.00 33.11 H new ATOM 0 HG12 VAL A 51 26.712 6.242 2.245 1.00 33.11 H new ATOM 0 HG13 VAL A 51 24.964 6.325 1.919 1.00 33.11 H new ATOM 0 HG21 VAL A 51 24.919 3.849 0.053 1.00 71.03 H new ATOM 0 HG22 VAL A 51 24.093 5.373 -0.351 1.00 71.03 H new ATOM 0 HG23 VAL A 51 25.284 4.680 -1.478 1.00 71.03 H new ATOM 869 N PRO A 52 28.699 7.152 -0.934 1.00 5.25 N ATOM 870 CA PRO A 52 29.854 7.189 -1.815 1.00 1.32 C ATOM 871 C PRO A 52 30.190 5.791 -2.337 1.00 45.01 C ATOM 872 O PRO A 52 29.597 4.804 -1.905 1.00 64.21 O ATOM 873 CB PRO A 52 30.969 7.795 -0.977 1.00 72.34 C ATOM 874 CG PRO A 52 30.531 7.644 0.470 1.00 2.35 C ATOM 875 CD PRO A 52 29.053 7.290 0.476 1.00 22.23 C ATOM 0 HA PRO A 52 29.680 7.784 -2.712 1.00 1.32 H new ATOM 0 HB2 PRO A 52 31.914 7.282 -1.155 1.00 72.34 H new ATOM 0 HB3 PRO A 52 31.123 8.844 -1.231 1.00 72.34 H new ATOM 0 HG2 PRO A 52 31.112 6.866 0.965 1.00 2.35 H new ATOM 0 HG3 PRO A 52 30.704 8.569 1.020 1.00 2.35 H new ATOM 0 HD2 PRO A 52 28.870 6.365 1.023 1.00 22.23 H new ATOM 0 HD3 PRO A 52 28.461 8.068 0.958 1.00 22.23 H new ATOM 883 N ALA A 53 31.141 5.751 -3.259 1.00 42.50 N ATOM 884 CA ALA A 53 31.564 4.491 -3.845 1.00 33.43 C ATOM 885 C ALA A 53 32.704 3.903 -3.011 1.00 61.20 C ATOM 886 O ALA A 53 33.439 3.036 -3.482 1.00 32.34 O ATOM 887 CB ALA A 53 31.964 4.714 -5.304 1.00 52.24 C ATOM 0 H ALA A 53 31.631 6.572 -3.615 1.00 42.50 H new ATOM 0 HA ALA A 53 30.745 3.771 -3.839 1.00 33.43 H new ATOM 0 HB1 ALA A 53 32.281 3.768 -5.743 1.00 52.24 H new ATOM 0 HB2 ALA A 53 31.111 5.104 -5.860 1.00 52.24 H new ATOM 0 HB3 ALA A 53 32.785 5.429 -5.351 1.00 52.24 H new ATOM 893 N ASP A 54 32.816 4.398 -1.787 1.00 42.34 N ATOM 894 CA ASP A 54 33.855 3.933 -0.884 1.00 14.02 C ATOM 895 C ASP A 54 33.212 3.444 0.416 1.00 62.22 C ATOM 896 O ASP A 54 33.911 3.049 1.348 1.00 42.51 O ATOM 897 CB ASP A 54 34.827 5.061 -0.535 1.00 1.31 C ATOM 898 CG ASP A 54 35.848 5.395 -1.624 1.00 42.04 C ATOM 899 OD1 ASP A 54 36.146 4.565 -2.496 1.00 51.34 O ATOM 900 OD2 ASP A 54 36.353 6.580 -1.554 1.00 24.14 O ATOM 0 H ASP A 54 32.204 5.116 -1.400 1.00 42.34 H new ATOM 0 HA ASP A 54 34.399 3.129 -1.381 1.00 14.02 H new ATOM 0 HB2 ASP A 54 34.252 5.959 -0.310 1.00 1.31 H new ATOM 0 HB3 ASP A 54 35.364 4.790 0.374 1.00 1.31 H new ATOM 906 N LEU A 55 31.888 3.485 0.436 1.00 1.30 N ATOM 907 CA LEU A 55 31.144 3.051 1.606 1.00 55.22 C ATOM 908 C LEU A 55 30.744 1.584 1.435 1.00 3.13 C ATOM 909 O LEU A 55 30.649 1.089 0.313 1.00 14.52 O ATOM 910 CB LEU A 55 29.959 3.985 1.864 1.00 22.21 C ATOM 911 CG LEU A 55 28.945 3.510 2.907 1.00 65.41 C ATOM 912 CD1 LEU A 55 28.310 4.696 3.634 1.00 11.20 C ATOM 913 CD2 LEU A 55 27.895 2.596 2.273 1.00 35.24 C ATOM 0 H LEU A 55 31.311 3.812 -0.339 1.00 1.30 H new ATOM 0 HA LEU A 55 31.768 3.110 2.498 1.00 55.22 H new ATOM 0 HB2 LEU A 55 30.347 4.954 2.179 1.00 22.21 H new ATOM 0 HB3 LEU A 55 29.434 4.143 0.922 1.00 22.21 H new ATOM 0 HG LEU A 55 29.475 2.921 3.656 1.00 65.41 H new ATOM 0 HD11 LEU A 55 27.593 4.331 4.370 1.00 11.20 H new ATOM 0 HD12 LEU A 55 29.086 5.272 4.138 1.00 11.20 H new ATOM 0 HD13 LEU A 55 27.797 5.333 2.913 1.00 11.20 H new ATOM 0 HD21 LEU A 55 27.186 2.272 3.035 1.00 35.24 H new ATOM 0 HD22 LEU A 55 27.364 3.139 1.491 1.00 35.24 H new ATOM 0 HD23 LEU A 55 28.385 1.724 1.840 1.00 35.24 H new ATOM 925 N THR A 56 30.522 0.929 2.565 1.00 10.35 N ATOM 926 CA THR A 56 30.135 -0.471 2.555 1.00 22.33 C ATOM 927 C THR A 56 28.670 -0.623 2.968 1.00 52.11 C ATOM 928 O THR A 56 28.077 0.304 3.519 1.00 63.41 O ATOM 929 CB THR A 56 31.103 -1.236 3.460 1.00 5.32 C ATOM 930 OG1 THR A 56 30.689 -0.893 4.780 1.00 63.11 O ATOM 931 CG2 THR A 56 32.535 -0.703 3.369 1.00 52.22 C ATOM 0 H THR A 56 30.603 1.342 3.494 1.00 10.35 H new ATOM 0 HA THR A 56 30.203 -0.892 1.552 1.00 22.33 H new ATOM 0 HB THR A 56 31.091 -2.293 3.193 1.00 5.32 H new ATOM 0 HG1 THR A 56 31.025 -1.562 5.412 1.00 63.11 H new ATOM 0 HG21 THR A 56 33.181 -1.280 4.030 1.00 52.22 H new ATOM 0 HG22 THR A 56 32.892 -0.793 2.343 1.00 52.22 H new ATOM 0 HG23 THR A 56 32.553 0.345 3.668 1.00 52.22 H new ATOM 939 N VAL A 57 28.127 -1.798 2.685 1.00 23.15 N ATOM 940 CA VAL A 57 26.742 -2.083 3.020 1.00 24.14 C ATOM 941 C VAL A 57 26.503 -1.763 4.497 1.00 22.23 C ATOM 942 O VAL A 57 25.551 -1.064 4.838 1.00 13.52 O ATOM 943 CB VAL A 57 26.404 -3.531 2.660 1.00 61.01 C ATOM 944 CG1 VAL A 57 25.025 -3.922 3.196 1.00 43.43 C ATOM 945 CG2 VAL A 57 26.488 -3.754 1.149 1.00 44.25 C ATOM 0 H VAL A 57 28.621 -2.564 2.227 1.00 23.15 H new ATOM 0 HA VAL A 57 26.071 -1.452 2.438 1.00 24.14 H new ATOM 0 HB VAL A 57 27.143 -4.176 3.136 1.00 61.01 H new ATOM 0 HG11 VAL A 57 24.810 -4.956 2.926 1.00 43.43 H new ATOM 0 HG12 VAL A 57 25.014 -3.820 4.281 1.00 43.43 H new ATOM 0 HG13 VAL A 57 24.268 -3.269 2.763 1.00 43.43 H new ATOM 0 HG21 VAL A 57 26.243 -4.791 0.920 1.00 44.25 H new ATOM 0 HG22 VAL A 57 25.782 -3.095 0.644 1.00 44.25 H new ATOM 0 HG23 VAL A 57 27.499 -3.535 0.805 1.00 44.25 H new ATOM 955 N GLY A 58 27.384 -2.291 5.334 1.00 2.13 N ATOM 956 CA GLY A 58 27.281 -2.070 6.767 1.00 72.42 C ATOM 957 C GLY A 58 26.852 -0.633 7.071 1.00 60.42 C ATOM 958 O GLY A 58 25.837 -0.411 7.728 1.00 14.23 O ATOM 0 H GLY A 58 28.172 -2.871 5.048 1.00 2.13 H new ATOM 0 HA2 GLY A 58 26.560 -2.767 7.195 1.00 72.42 H new ATOM 0 HA3 GLY A 58 28.242 -2.274 7.240 1.00 72.42 H new ATOM 962 N GLN A 59 27.647 0.304 6.578 1.00 44.42 N ATOM 963 CA GLN A 59 27.363 1.714 6.788 1.00 30.35 C ATOM 964 C GLN A 59 25.882 2.001 6.531 1.00 63.41 C ATOM 965 O GLN A 59 25.231 2.678 7.324 1.00 53.40 O ATOM 966 CB GLN A 59 28.253 2.591 5.906 1.00 70.34 C ATOM 967 CG GLN A 59 29.706 2.113 5.946 1.00 1.42 C ATOM 968 CD GLN A 59 30.107 1.696 7.363 1.00 74.55 C ATOM 969 OE1 GLN A 59 30.069 2.474 8.301 1.00 34.13 O ATOM 970 NE2 GLN A 59 30.491 0.426 7.464 1.00 42.43 N ATOM 0 H GLN A 59 28.488 0.115 6.033 1.00 44.42 H new ATOM 0 HA GLN A 59 27.586 1.958 7.827 1.00 30.35 H new ATOM 0 HB2 GLN A 59 27.888 2.570 4.879 1.00 70.34 H new ATOM 0 HB3 GLN A 59 28.198 3.626 6.243 1.00 70.34 H new ATOM 0 HG2 GLN A 59 29.835 1.272 5.265 1.00 1.42 H new ATOM 0 HG3 GLN A 59 30.364 2.909 5.597 1.00 1.42 H new ATOM 0 HE21 GLN A 59 30.499 -0.172 6.637 1.00 42.43 H new ATOM 0 HE22 GLN A 59 30.777 0.050 8.368 1.00 42.43 H new ATOM 979 N PHE A 60 25.394 1.470 5.419 1.00 3.41 N ATOM 980 CA PHE A 60 24.003 1.661 5.047 1.00 13.02 C ATOM 981 C PHE A 60 23.070 1.264 6.193 1.00 75.32 C ATOM 982 O PHE A 60 22.177 2.025 6.563 1.00 32.53 O ATOM 983 CB PHE A 60 23.732 0.752 3.846 1.00 2.44 C ATOM 984 CG PHE A 60 22.506 1.155 3.025 1.00 14.12 C ATOM 985 CD1 PHE A 60 22.562 2.239 2.206 1.00 12.31 C ATOM 986 CD2 PHE A 60 21.359 0.429 3.114 1.00 22.14 C ATOM 987 CE1 PHE A 60 21.423 2.613 1.444 1.00 44.10 C ATOM 988 CE2 PHE A 60 20.221 0.803 2.352 1.00 32.33 C ATOM 989 CZ PHE A 60 20.277 1.887 1.533 1.00 30.02 C ATOM 0 H PHE A 60 25.937 0.908 4.764 1.00 3.41 H new ATOM 0 HA PHE A 60 23.821 2.710 4.812 1.00 13.02 H new ATOM 0 HB2 PHE A 60 24.608 0.754 3.197 1.00 2.44 H new ATOM 0 HB3 PHE A 60 23.600 -0.270 4.200 1.00 2.44 H new ATOM 0 HD1 PHE A 60 23.472 2.816 2.135 1.00 12.31 H new ATOM 0 HD2 PHE A 60 21.314 -0.432 3.764 1.00 22.14 H new ATOM 0 HE1 PHE A 60 21.467 3.474 0.794 1.00 44.10 H new ATOM 0 HE2 PHE A 60 19.311 0.226 2.423 1.00 32.33 H new ATOM 0 HZ PHE A 60 19.411 2.171 0.953 1.00 30.02 H new ATOM 999 N VAL A 61 23.308 0.073 6.722 1.00 61.20 N ATOM 1000 CA VAL A 61 22.500 -0.435 7.818 1.00 42.21 C ATOM 1001 C VAL A 61 22.384 0.640 8.900 1.00 15.32 C ATOM 1002 O VAL A 61 21.376 0.713 9.602 1.00 21.33 O ATOM 1003 CB VAL A 61 23.090 -1.747 8.339 1.00 4.54 C ATOM 1004 CG1 VAL A 61 22.132 -2.429 9.317 1.00 14.31 C ATOM 1005 CG2 VAL A 61 23.453 -2.682 7.184 1.00 3.13 C ATOM 0 H VAL A 61 24.049 -0.555 6.412 1.00 61.20 H new ATOM 0 HA VAL A 61 21.490 -0.662 7.475 1.00 42.21 H new ATOM 0 HB VAL A 61 24.007 -1.511 8.879 1.00 4.54 H new ATOM 0 HG11 VAL A 61 22.576 -3.359 9.672 1.00 14.31 H new ATOM 0 HG12 VAL A 61 21.946 -1.769 10.164 1.00 14.31 H new ATOM 0 HG13 VAL A 61 21.190 -2.646 8.813 1.00 14.31 H new ATOM 0 HG21 VAL A 61 23.870 -3.607 7.582 1.00 3.13 H new ATOM 0 HG22 VAL A 61 22.558 -2.908 6.604 1.00 3.13 H new ATOM 0 HG23 VAL A 61 24.190 -2.199 6.542 1.00 3.13 H new ATOM 1015 N TYR A 62 23.428 1.449 9.001 1.00 22.12 N ATOM 1016 CA TYR A 62 23.456 2.517 9.986 1.00 34.21 C ATOM 1017 C TYR A 62 22.713 3.753 9.475 1.00 34.04 C ATOM 1018 O TYR A 62 22.124 4.496 10.259 1.00 21.14 O ATOM 1019 CB TYR A 62 24.931 2.869 10.185 1.00 41.41 C ATOM 1020 CG TYR A 62 25.252 3.448 11.564 1.00 2.22 C ATOM 1021 CD1 TYR A 62 24.804 2.809 12.702 1.00 14.12 C ATOM 1022 CD2 TYR A 62 25.990 4.610 11.671 1.00 64.54 C ATOM 1023 CE1 TYR A 62 25.106 3.354 14.000 1.00 32.15 C ATOM 1024 CE2 TYR A 62 26.293 5.154 12.969 1.00 54.32 C ATOM 1025 CZ TYR A 62 25.835 4.500 14.070 1.00 64.33 C ATOM 1026 OH TYR A 62 26.121 5.014 15.296 1.00 52.22 O ATOM 0 H TYR A 62 24.262 1.386 8.416 1.00 22.12 H new ATOM 0 HA TYR A 62 22.974 2.199 10.911 1.00 34.21 H new ATOM 0 HB2 TYR A 62 25.532 1.973 10.030 1.00 41.41 H new ATOM 0 HB3 TYR A 62 25.228 3.588 9.422 1.00 41.41 H new ATOM 0 HD1 TYR A 62 24.227 1.900 12.619 1.00 14.12 H new ATOM 0 HD2 TYR A 62 26.340 5.111 10.781 1.00 64.54 H new ATOM 0 HE1 TYR A 62 24.761 2.864 14.898 1.00 32.15 H new ATOM 0 HE2 TYR A 62 26.871 6.061 13.066 1.00 54.32 H new ATOM 0 HH TYR A 62 26.649 5.833 15.192 1.00 52.22 H new ATOM 1036 N VAL A 63 22.764 3.935 8.164 1.00 12.00 N ATOM 1037 CA VAL A 63 22.103 5.068 7.539 1.00 11.34 C ATOM 1038 C VAL A 63 20.609 5.027 7.869 1.00 43.14 C ATOM 1039 O VAL A 63 20.042 6.020 8.322 1.00 3.00 O ATOM 1040 CB VAL A 63 22.384 5.074 6.035 1.00 34.03 C ATOM 1041 CG1 VAL A 63 21.307 5.855 5.280 1.00 50.43 C ATOM 1042 CG2 VAL A 63 23.777 5.633 5.740 1.00 54.43 C ATOM 0 H VAL A 63 23.253 3.317 7.517 1.00 12.00 H new ATOM 0 HA VAL A 63 22.497 6.005 7.933 1.00 11.34 H new ATOM 0 HB VAL A 63 22.357 4.042 5.684 1.00 34.03 H new ATOM 0 HG11 VAL A 63 21.530 5.844 4.213 1.00 50.43 H new ATOM 0 HG12 VAL A 63 20.335 5.393 5.452 1.00 50.43 H new ATOM 0 HG13 VAL A 63 21.288 6.885 5.636 1.00 50.43 H new ATOM 0 HG21 VAL A 63 23.951 5.626 4.664 1.00 54.43 H new ATOM 0 HG22 VAL A 63 23.845 6.655 6.112 1.00 54.43 H new ATOM 0 HG23 VAL A 63 24.528 5.016 6.233 1.00 54.43 H new ATOM 1052 N ILE A 64 20.015 3.868 7.628 1.00 74.13 N ATOM 1053 CA ILE A 64 18.598 3.684 7.893 1.00 52.21 C ATOM 1054 C ILE A 64 18.325 3.933 9.378 1.00 71.33 C ATOM 1055 O ILE A 64 17.436 4.707 9.728 1.00 34.10 O ATOM 1056 CB ILE A 64 18.135 2.310 7.404 1.00 11.31 C ATOM 1057 CG1 ILE A 64 18.032 2.278 5.878 1.00 73.52 C ATOM 1058 CG2 ILE A 64 16.822 1.903 8.076 1.00 22.23 C ATOM 1059 CD1 ILE A 64 19.418 2.326 5.233 1.00 5.43 C ATOM 0 H ILE A 64 20.489 3.047 7.252 1.00 74.13 H new ATOM 0 HA ILE A 64 18.008 4.410 7.334 1.00 52.21 H new ATOM 0 HB ILE A 64 18.886 1.574 7.692 1.00 11.31 H new ATOM 0 HG12 ILE A 64 17.512 1.373 5.564 1.00 73.52 H new ATOM 0 HG13 ILE A 64 17.437 3.123 5.532 1.00 73.52 H new ATOM 0 HG21 ILE A 64 16.515 0.923 7.711 1.00 22.23 H new ATOM 0 HG22 ILE A 64 16.964 1.860 9.156 1.00 22.23 H new ATOM 0 HG23 ILE A 64 16.050 2.636 7.841 1.00 22.23 H new ATOM 0 HD11 ILE A 64 19.315 2.302 4.148 1.00 5.43 H new ATOM 0 HD12 ILE A 64 19.926 3.244 5.529 1.00 5.43 H new ATOM 0 HD13 ILE A 64 20.002 1.466 5.561 1.00 5.43 H new ATOM 1071 N ARG A 65 19.107 3.261 10.211 1.00 55.34 N ATOM 1072 CA ARG A 65 18.960 3.400 11.650 1.00 63.43 C ATOM 1073 C ARG A 65 18.748 4.868 12.023 1.00 5.11 C ATOM 1074 O ARG A 65 18.101 5.171 13.025 1.00 65.55 O ATOM 1075 CB ARG A 65 20.193 2.867 12.382 1.00 24.02 C ATOM 1076 CG ARG A 65 19.942 2.782 13.889 1.00 31.10 C ATOM 1077 CD ARG A 65 21.110 2.097 14.602 1.00 12.51 C ATOM 1078 NE ARG A 65 21.650 1.008 13.758 1.00 14.13 N ATOM 1079 CZ ARG A 65 21.081 -0.211 13.640 1.00 1.35 C ATOM 1080 NH1 ARG A 65 19.948 -0.506 14.313 1.00 64.20 N ATOM 1081 NH2 ARG A 65 21.649 -1.109 12.858 1.00 63.11 N ATOM 0 H ARG A 65 19.844 2.620 9.917 1.00 55.34 H new ATOM 0 HA ARG A 65 18.091 2.817 11.953 1.00 63.43 H new ATOM 0 HB2 ARG A 65 20.451 1.881 11.997 1.00 24.02 H new ATOM 0 HB3 ARG A 65 21.045 3.518 12.188 1.00 24.02 H new ATOM 0 HG2 ARG A 65 19.801 3.784 14.295 1.00 31.10 H new ATOM 0 HG3 ARG A 65 19.022 2.229 14.077 1.00 31.10 H new ATOM 0 HD2 ARG A 65 21.893 2.824 14.816 1.00 12.51 H new ATOM 0 HD3 ARG A 65 20.777 1.695 15.559 1.00 12.51 H new ATOM 0 HE ARG A 65 22.505 1.189 13.233 1.00 14.13 H new ATOM 0 HH11 ARG A 65 19.516 0.194 14.916 1.00 64.20 H new ATOM 0 HH12 ARG A 65 19.524 -1.429 14.219 1.00 64.20 H new ATOM 0 HH21 ARG A 65 22.505 -0.878 12.354 1.00 63.11 H new ATOM 0 HH22 ARG A 65 21.232 -2.035 12.758 1.00 63.11 H new ATOM 1094 N LYS A 66 19.306 5.742 11.198 1.00 70.23 N ATOM 1095 CA LYS A 66 19.186 7.171 11.429 1.00 42.43 C ATOM 1096 C LYS A 66 17.812 7.647 10.954 1.00 34.11 C ATOM 1097 O LYS A 66 17.130 8.389 11.660 1.00 71.15 O ATOM 1098 CB LYS A 66 20.353 7.919 10.780 1.00 22.50 C ATOM 1099 CG LYS A 66 21.487 8.142 11.783 1.00 14.02 C ATOM 1100 CD LYS A 66 22.639 7.166 11.535 1.00 13.22 C ATOM 1101 CE LYS A 66 23.914 7.634 12.238 1.00 24.04 C ATOM 1102 NZ LYS A 66 23.582 8.393 13.465 1.00 53.14 N ATOM 0 H LYS A 66 19.842 5.488 10.369 1.00 70.23 H new ATOM 0 HA LYS A 66 19.249 7.390 12.495 1.00 42.43 H new ATOM 0 HB2 LYS A 66 20.724 7.351 9.927 1.00 22.50 H new ATOM 0 HB3 LYS A 66 20.007 8.879 10.398 1.00 22.50 H new ATOM 0 HG2 LYS A 66 21.851 9.167 11.704 1.00 14.02 H new ATOM 0 HG3 LYS A 66 21.110 8.015 12.798 1.00 14.02 H new ATOM 0 HD2 LYS A 66 22.364 6.174 11.895 1.00 13.22 H new ATOM 0 HD3 LYS A 66 22.821 7.078 10.464 1.00 13.22 H new ATOM 0 HE2 LYS A 66 24.533 6.773 12.492 1.00 24.04 H new ATOM 0 HE3 LYS A 66 24.499 8.259 11.564 1.00 24.04 H new ATOM 0 HZ1 LYS A 66 24.418 8.440 14.081 1.00 53.14 H new ATOM 0 HZ2 LYS A 66 23.287 9.357 13.208 1.00 53.14 H new ATOM 0 HZ3 LYS A 66 22.807 7.917 13.969 1.00 53.14 H new ATOM 1115 N ARG A 67 17.445 7.200 9.762 1.00 65.02 N ATOM 1116 CA ARG A 67 16.164 7.571 9.185 1.00 65.53 C ATOM 1117 C ARG A 67 15.022 7.139 10.107 1.00 62.15 C ATOM 1118 O ARG A 67 13.978 7.787 10.152 1.00 53.02 O ATOM 1119 CB ARG A 67 15.973 6.926 7.810 1.00 13.33 C ATOM 1120 CG ARG A 67 16.648 7.757 6.717 1.00 75.44 C ATOM 1121 CD ARG A 67 17.981 7.133 6.299 1.00 71.01 C ATOM 1122 NE ARG A 67 18.462 7.758 5.047 1.00 52.33 N ATOM 1123 CZ ARG A 67 18.911 9.028 4.959 1.00 3.30 C ATOM 1124 NH1 ARG A 67 18.945 9.820 6.052 1.00 41.11 N ATOM 1125 NH2 ARG A 67 19.317 9.484 3.789 1.00 42.24 N ATOM 0 H ARG A 67 18.013 6.584 9.180 1.00 65.02 H new ATOM 0 HA ARG A 67 16.152 8.655 9.070 1.00 65.53 H new ATOM 0 HB2 ARG A 67 16.390 5.919 7.816 1.00 13.33 H new ATOM 0 HB3 ARG A 67 14.909 6.830 7.594 1.00 13.33 H new ATOM 0 HG2 ARG A 67 15.989 7.830 5.852 1.00 75.44 H new ATOM 0 HG3 ARG A 67 16.815 8.772 7.077 1.00 75.44 H new ATOM 0 HD2 ARG A 67 18.719 7.268 7.090 1.00 71.01 H new ATOM 0 HD3 ARG A 67 17.860 6.059 6.156 1.00 71.01 H new ATOM 0 HE ARG A 67 18.454 7.194 4.197 1.00 52.33 H new ATOM 0 HH11 ARG A 67 18.630 9.460 6.953 1.00 41.11 H new ATOM 0 HH12 ARG A 67 19.286 10.778 5.977 1.00 41.11 H new ATOM 0 HH21 ARG A 67 19.289 8.879 2.968 1.00 42.24 H new ATOM 0 HH22 ARG A 67 19.659 10.441 3.706 1.00 42.24 H new ATOM 1138 N ILE A 68 15.259 6.047 10.819 1.00 44.23 N ATOM 1139 CA ILE A 68 14.263 5.521 11.737 1.00 44.42 C ATOM 1140 C ILE A 68 14.707 5.795 13.175 1.00 24.42 C ATOM 1141 O ILE A 68 13.970 5.517 14.120 1.00 52.13 O ATOM 1142 CB ILE A 68 13.994 4.044 11.446 1.00 22.54 C ATOM 1143 CG1 ILE A 68 15.243 3.358 10.887 1.00 13.42 C ATOM 1144 CG2 ILE A 68 12.787 3.878 10.522 1.00 75.42 C ATOM 1145 CD1 ILE A 68 15.046 1.843 10.805 1.00 43.33 C ATOM 0 H ILE A 68 16.126 5.512 10.779 1.00 44.23 H new ATOM 0 HA ILE A 68 13.308 6.028 11.596 1.00 44.42 H new ATOM 0 HB ILE A 68 13.750 3.550 12.386 1.00 22.54 H new ATOM 0 HG12 ILE A 68 15.467 3.753 9.896 1.00 13.42 H new ATOM 0 HG13 ILE A 68 16.101 3.583 11.521 1.00 13.42 H new ATOM 0 HG21 ILE A 68 12.618 2.818 10.331 1.00 75.42 H new ATOM 0 HG22 ILE A 68 11.904 4.307 10.996 1.00 75.42 H new ATOM 0 HG23 ILE A 68 12.977 4.390 9.579 1.00 75.42 H new ATOM 0 HD11 ILE A 68 15.948 1.380 10.405 1.00 43.33 H new ATOM 0 HD12 ILE A 68 14.846 1.448 11.801 1.00 43.33 H new ATOM 0 HD13 ILE A 68 14.203 1.621 10.151 1.00 43.33 H new ATOM 1157 N MET A 69 15.911 6.335 13.297 1.00 52.33 N ATOM 1158 CA MET A 69 16.462 6.649 14.604 1.00 11.00 C ATOM 1159 C MET A 69 16.166 5.531 15.606 1.00 2.53 C ATOM 1160 O MET A 69 15.697 5.793 16.713 1.00 41.31 O ATOM 1161 CB MET A 69 15.860 7.961 15.110 1.00 1.42 C ATOM 1162 CG MET A 69 14.339 7.854 15.239 1.00 62.34 C ATOM 1163 SD MET A 69 13.696 9.284 16.090 1.00 55.41 S ATOM 1164 CE MET A 69 14.184 10.569 14.951 1.00 61.23 C ATOM 0 H MET A 69 16.520 6.563 12.511 1.00 52.33 H new ATOM 0 HA MET A 69 17.543 6.749 14.508 1.00 11.00 H new ATOM 0 HB2 MET A 69 16.293 8.215 16.077 1.00 1.42 H new ATOM 0 HB3 MET A 69 16.114 8.770 14.425 1.00 1.42 H new ATOM 0 HG2 MET A 69 13.887 7.775 14.250 1.00 62.34 H new ATOM 0 HG3 MET A 69 14.075 6.947 15.784 1.00 62.34 H new ATOM 0 HE1 MET A 69 13.566 11.452 15.113 1.00 61.23 H new ATOM 0 HE2 MET A 69 15.231 10.823 15.116 1.00 61.23 H new ATOM 0 HE3 MET A 69 14.053 10.217 13.928 1.00 61.23 H new ATOM 1174 N LEU A 70 16.453 4.309 15.183 1.00 53.22 N ATOM 1175 CA LEU A 70 16.223 3.151 16.029 1.00 24.24 C ATOM 1176 C LEU A 70 17.284 3.112 17.131 1.00 23.32 C ATOM 1177 O LEU A 70 18.366 3.676 16.976 1.00 22.05 O ATOM 1178 CB LEU A 70 16.164 1.875 15.187 1.00 22.12 C ATOM 1179 CG LEU A 70 14.766 1.322 14.905 1.00 52.05 C ATOM 1180 CD1 LEU A 70 13.750 2.455 14.748 1.00 13.03 C ATOM 1181 CD2 LEU A 70 14.779 0.392 13.689 1.00 0.44 C ATOM 0 H LEU A 70 16.843 4.096 14.265 1.00 53.22 H new ATOM 0 HA LEU A 70 15.253 3.225 16.521 1.00 24.24 H new ATOM 0 HB2 LEU A 70 16.655 2.069 14.234 1.00 22.12 H new ATOM 0 HB3 LEU A 70 16.744 1.103 15.693 1.00 22.12 H new ATOM 0 HG LEU A 70 14.455 0.726 15.763 1.00 52.05 H new ATOM 0 HD11 LEU A 70 12.764 2.035 14.548 1.00 13.03 H new ATOM 0 HD12 LEU A 70 13.715 3.042 15.666 1.00 13.03 H new ATOM 0 HD13 LEU A 70 14.046 3.097 13.918 1.00 13.03 H new ATOM 0 HD21 LEU A 70 13.773 0.013 13.510 1.00 0.44 H new ATOM 0 HD22 LEU A 70 15.120 0.944 12.813 1.00 0.44 H new ATOM 0 HD23 LEU A 70 15.454 -0.443 13.877 1.00 0.44 H new ATOM 1193 N PRO A 71 16.928 2.422 18.248 1.00 10.30 N ATOM 1194 CA PRO A 71 17.837 2.302 19.375 1.00 12.22 C ATOM 1195 C PRO A 71 18.956 1.303 19.073 1.00 13.15 C ATOM 1196 O PRO A 71 18.900 0.586 18.076 1.00 31.30 O ATOM 1197 CB PRO A 71 16.961 1.878 20.543 1.00 2.52 C ATOM 1198 CG PRO A 71 15.685 1.328 19.929 1.00 75.12 C ATOM 1199 CD PRO A 71 15.655 1.741 18.466 1.00 1.34 C ATOM 0 HA PRO A 71 18.354 3.235 19.600 1.00 12.22 H new ATOM 0 HB2 PRO A 71 17.459 1.123 21.151 1.00 2.52 H new ATOM 0 HB3 PRO A 71 16.747 2.723 21.197 1.00 2.52 H new ATOM 0 HG2 PRO A 71 15.655 0.242 20.020 1.00 75.12 H new ATOM 0 HG3 PRO A 71 14.811 1.716 20.453 1.00 75.12 H new ATOM 0 HD2 PRO A 71 15.552 0.875 17.812 1.00 1.34 H new ATOM 0 HD3 PRO A 71 14.812 2.400 18.258 1.00 1.34 H new ATOM 1207 N PRO A 72 19.972 1.288 19.977 1.00 11.12 N ATOM 1208 CA PRO A 72 21.102 0.389 19.818 1.00 61.03 C ATOM 1209 C PRO A 72 20.715 -1.047 20.177 1.00 62.10 C ATOM 1210 O PRO A 72 21.545 -1.953 20.109 1.00 53.22 O ATOM 1211 CB PRO A 72 22.186 0.956 20.720 1.00 20.40 C ATOM 1212 CG PRO A 72 21.475 1.875 21.699 1.00 34.15 C ATOM 1213 CD PRO A 72 20.072 2.124 21.170 1.00 33.33 C ATOM 0 HA PRO A 72 21.451 0.330 18.787 1.00 61.03 H new ATOM 0 HB2 PRO A 72 22.714 0.159 21.245 1.00 20.40 H new ATOM 0 HB3 PRO A 72 22.930 1.503 20.141 1.00 20.40 H new ATOM 0 HG2 PRO A 72 21.435 1.420 22.689 1.00 34.15 H new ATOM 0 HG3 PRO A 72 22.017 2.815 21.802 1.00 34.15 H new ATOM 0 HD2 PRO A 72 19.317 1.853 21.908 1.00 33.33 H new ATOM 0 HD3 PRO A 72 19.920 3.176 20.930 1.00 33.33 H new ATOM 1221 N GLU A 73 19.455 -1.210 20.552 1.00 71.43 N ATOM 1222 CA GLU A 73 18.948 -2.521 20.922 1.00 51.14 C ATOM 1223 C GLU A 73 18.275 -3.188 19.720 1.00 31.15 C ATOM 1224 O GLU A 73 18.364 -4.403 19.550 1.00 31.14 O ATOM 1225 CB GLU A 73 17.983 -2.422 22.105 1.00 5.42 C ATOM 1226 CG GLU A 73 18.559 -1.531 23.208 1.00 12.21 C ATOM 1227 CD GLU A 73 17.932 -1.863 24.564 1.00 41.12 C ATOM 1228 OE1 GLU A 73 16.760 -1.535 24.802 1.00 3.31 O ATOM 1229 OE2 GLU A 73 18.708 -2.486 25.385 1.00 13.10 O ATOM 0 H GLU A 73 18.770 -0.456 20.608 1.00 71.43 H new ATOM 0 HA GLU A 73 19.790 -3.140 21.233 1.00 51.14 H new ATOM 0 HB2 GLU A 73 17.028 -2.018 21.768 1.00 5.42 H new ATOM 0 HB3 GLU A 73 17.786 -3.418 22.502 1.00 5.42 H new ATOM 0 HG2 GLU A 73 19.640 -1.664 23.261 1.00 12.21 H new ATOM 0 HG3 GLU A 73 18.378 -0.484 22.966 1.00 12.21 H new ATOM 1237 N LYS A 74 17.617 -2.364 18.918 1.00 34.34 N ATOM 1238 CA LYS A 74 16.929 -2.859 17.738 1.00 31.50 C ATOM 1239 C LYS A 74 17.936 -3.554 16.820 1.00 65.21 C ATOM 1240 O LYS A 74 19.130 -3.589 17.116 1.00 71.32 O ATOM 1241 CB LYS A 74 16.153 -1.730 17.057 1.00 71.31 C ATOM 1242 CG LYS A 74 14.680 -1.750 17.471 1.00 60.03 C ATOM 1243 CD LYS A 74 13.785 -2.138 16.292 1.00 34.55 C ATOM 1244 CE LYS A 74 13.221 -3.549 16.474 1.00 64.42 C ATOM 1245 NZ LYS A 74 12.619 -3.698 17.818 1.00 65.44 N ATOM 0 H LYS A 74 17.546 -1.357 19.062 1.00 34.34 H new ATOM 0 HA LYS A 74 16.184 -3.604 18.016 1.00 31.50 H new ATOM 0 HB2 LYS A 74 16.596 -0.769 17.320 1.00 71.31 H new ATOM 0 HB3 LYS A 74 16.232 -1.831 15.975 1.00 71.31 H new ATOM 0 HG2 LYS A 74 14.538 -2.457 18.288 1.00 60.03 H new ATOM 0 HG3 LYS A 74 14.390 -0.768 17.845 1.00 60.03 H new ATOM 0 HD2 LYS A 74 12.966 -1.424 16.202 1.00 34.55 H new ATOM 0 HD3 LYS A 74 14.356 -2.087 15.365 1.00 34.55 H new ATOM 0 HE2 LYS A 74 12.471 -3.748 15.709 1.00 64.42 H new ATOM 0 HE3 LYS A 74 14.015 -4.284 16.341 1.00 64.42 H new ATOM 0 HZ1 LYS A 74 11.769 -4.294 17.754 1.00 65.44 H new ATOM 0 HZ2 LYS A 74 13.306 -4.143 18.459 1.00 65.44 H new ATOM 0 HZ3 LYS A 74 12.358 -2.761 18.187 1.00 65.44 H new ATOM 1258 N ALA A 75 17.419 -4.090 15.724 1.00 11.22 N ATOM 1259 CA ALA A 75 18.258 -4.782 14.761 1.00 44.42 C ATOM 1260 C ALA A 75 17.584 -4.750 13.388 1.00 42.02 C ATOM 1261 O ALA A 75 16.576 -5.421 13.172 1.00 41.23 O ATOM 1262 CB ALA A 75 18.525 -6.208 15.247 1.00 52.32 C ATOM 0 H ALA A 75 16.429 -4.059 15.482 1.00 11.22 H new ATOM 0 HA ALA A 75 19.223 -4.285 14.666 1.00 44.42 H new ATOM 0 HB1 ALA A 75 19.155 -6.727 14.524 1.00 52.32 H new ATOM 0 HB2 ALA A 75 19.032 -6.175 16.212 1.00 52.32 H new ATOM 0 HB3 ALA A 75 17.579 -6.740 15.352 1.00 52.32 H new ATOM 1268 N ILE A 76 18.168 -3.964 12.495 1.00 11.34 N ATOM 1269 CA ILE A 76 17.636 -3.836 11.149 1.00 2.32 C ATOM 1270 C ILE A 76 18.565 -4.554 10.168 1.00 1.12 C ATOM 1271 O ILE A 76 19.785 -4.520 10.325 1.00 73.33 O ATOM 1272 CB ILE A 76 17.397 -2.364 10.805 1.00 24.20 C ATOM 1273 CG1 ILE A 76 16.173 -2.204 9.902 1.00 60.15 C ATOM 1274 CG2 ILE A 76 18.649 -1.735 10.191 1.00 44.33 C ATOM 1275 CD1 ILE A 76 15.569 -0.805 10.039 1.00 3.02 C ATOM 0 H ILE A 76 19.004 -3.409 12.678 1.00 11.34 H new ATOM 0 HA ILE A 76 16.661 -4.318 11.077 1.00 2.32 H new ATOM 0 HB ILE A 76 17.187 -1.826 11.730 1.00 24.20 H new ATOM 0 HG12 ILE A 76 16.456 -2.381 8.865 1.00 60.15 H new ATOM 0 HG13 ILE A 76 15.425 -2.954 10.161 1.00 60.15 H new ATOM 0 HG21 ILE A 76 18.453 -0.689 9.956 1.00 44.33 H new ATOM 0 HG22 ILE A 76 19.474 -1.799 10.901 1.00 44.33 H new ATOM 0 HG23 ILE A 76 18.914 -2.269 9.278 1.00 44.33 H new ATOM 0 HD11 ILE A 76 14.700 -0.718 9.386 1.00 3.02 H new ATOM 0 HD12 ILE A 76 15.264 -0.640 11.072 1.00 3.02 H new ATOM 0 HD13 ILE A 76 16.311 -0.059 9.756 1.00 3.02 H new ATOM 1287 N PHE A 77 17.953 -5.187 9.178 1.00 13.24 N ATOM 1288 CA PHE A 77 18.710 -5.912 8.172 1.00 14.10 C ATOM 1289 C PHE A 77 18.391 -5.394 6.768 1.00 70.42 C ATOM 1290 O PHE A 77 17.238 -5.100 6.458 1.00 74.34 O ATOM 1291 CB PHE A 77 18.290 -7.380 8.269 1.00 63.11 C ATOM 1292 CG PHE A 77 18.431 -7.976 9.671 1.00 33.11 C ATOM 1293 CD1 PHE A 77 19.596 -8.569 10.044 1.00 23.04 C ATOM 1294 CD2 PHE A 77 17.390 -7.913 10.544 1.00 12.32 C ATOM 1295 CE1 PHE A 77 19.727 -9.122 11.346 1.00 74.12 C ATOM 1296 CE2 PHE A 77 17.520 -8.466 11.845 1.00 1.25 C ATOM 1297 CZ PHE A 77 18.686 -9.059 12.219 1.00 53.32 C ATOM 0 H PHE A 77 16.941 -5.213 9.051 1.00 13.24 H new ATOM 0 HA PHE A 77 19.778 -5.782 8.344 1.00 14.10 H new ATOM 0 HB2 PHE A 77 17.252 -7.472 7.949 1.00 63.11 H new ATOM 0 HB3 PHE A 77 18.891 -7.966 7.574 1.00 63.11 H new ATOM 0 HD1 PHE A 77 20.422 -8.620 9.350 1.00 23.04 H new ATOM 0 HD2 PHE A 77 16.464 -7.442 10.247 1.00 12.32 H new ATOM 0 HE1 PHE A 77 20.653 -9.592 11.642 1.00 74.12 H new ATOM 0 HE2 PHE A 77 16.693 -8.416 12.538 1.00 1.25 H new ATOM 0 HZ PHE A 77 18.785 -9.480 13.209 1.00 53.32 H new ATOM 1307 N ILE A 78 19.434 -5.299 5.956 1.00 11.03 N ATOM 1308 CA ILE A 78 19.280 -4.822 4.592 1.00 33.14 C ATOM 1309 C ILE A 78 19.153 -6.020 3.649 1.00 20.01 C ATOM 1310 O ILE A 78 19.951 -6.954 3.715 1.00 1.31 O ATOM 1311 CB ILE A 78 20.419 -3.869 4.226 1.00 11.31 C ATOM 1312 CG1 ILE A 78 20.858 -3.047 5.440 1.00 54.22 C ATOM 1313 CG2 ILE A 78 20.031 -2.981 3.042 1.00 3.51 C ATOM 1314 CD1 ILE A 78 19.650 -2.613 6.274 1.00 64.13 C ATOM 0 H ILE A 78 20.389 -5.544 6.217 1.00 11.03 H new ATOM 0 HA ILE A 78 18.364 -4.239 4.493 1.00 33.14 H new ATOM 0 HB ILE A 78 21.277 -4.465 3.914 1.00 11.31 H new ATOM 0 HG12 ILE A 78 21.537 -3.636 6.056 1.00 54.22 H new ATOM 0 HG13 ILE A 78 21.410 -2.168 5.108 1.00 54.22 H new ATOM 0 HG21 ILE A 78 20.858 -2.313 2.802 1.00 3.51 H new ATOM 0 HG22 ILE A 78 19.806 -3.605 2.177 1.00 3.51 H new ATOM 0 HG23 ILE A 78 19.152 -2.391 3.302 1.00 3.51 H new ATOM 0 HD11 ILE A 78 19.990 -2.031 7.130 1.00 64.13 H new ATOM 0 HD12 ILE A 78 18.985 -2.004 5.662 1.00 64.13 H new ATOM 0 HD13 ILE A 78 19.114 -3.495 6.625 1.00 64.13 H new ATOM 1326 N PHE A 79 18.144 -5.954 2.793 1.00 30.41 N ATOM 1327 CA PHE A 79 17.903 -7.022 1.838 1.00 75.15 C ATOM 1328 C PHE A 79 17.828 -6.475 0.411 1.00 42.43 C ATOM 1329 O PHE A 79 16.951 -5.673 0.095 1.00 53.33 O ATOM 1330 CB PHE A 79 16.556 -7.651 2.201 1.00 71.15 C ATOM 1331 CG PHE A 79 16.613 -8.589 3.408 1.00 15.12 C ATOM 1332 CD1 PHE A 79 16.982 -9.887 3.244 1.00 23.40 C ATOM 1333 CD2 PHE A 79 16.293 -8.124 4.646 1.00 70.14 C ATOM 1334 CE1 PHE A 79 17.035 -10.758 4.365 1.00 52.32 C ATOM 1335 CE2 PHE A 79 16.345 -8.994 5.766 1.00 24.54 C ATOM 1336 CZ PHE A 79 16.715 -10.293 5.602 1.00 2.13 C ATOM 0 H PHE A 79 17.484 -5.178 2.741 1.00 30.41 H new ATOM 0 HA PHE A 79 18.716 -7.747 1.879 1.00 75.15 H new ATOM 0 HB2 PHE A 79 15.839 -6.856 2.405 1.00 71.15 H new ATOM 0 HB3 PHE A 79 16.182 -8.205 1.340 1.00 71.15 H new ATOM 0 HD1 PHE A 79 17.235 -10.256 2.261 1.00 23.40 H new ATOM 0 HD2 PHE A 79 15.999 -7.093 4.776 1.00 70.14 H new ATOM 0 HE1 PHE A 79 17.329 -11.789 4.235 1.00 52.32 H new ATOM 0 HE2 PHE A 79 16.091 -8.625 6.749 1.00 24.54 H new ATOM 0 HZ PHE A 79 16.755 -10.955 6.454 1.00 2.13 H new ATOM 1346 N VAL A 80 18.761 -6.930 -0.413 1.00 11.31 N ATOM 1347 CA VAL A 80 18.812 -6.496 -1.799 1.00 1.54 C ATOM 1348 C VAL A 80 18.431 -7.664 -2.709 1.00 60.52 C ATOM 1349 O VAL A 80 18.949 -8.770 -2.556 1.00 40.43 O ATOM 1350 CB VAL A 80 20.193 -5.917 -2.115 1.00 13.30 C ATOM 1351 CG1 VAL A 80 21.172 -7.022 -2.515 1.00 21.05 C ATOM 1352 CG2 VAL A 80 20.102 -4.845 -3.203 1.00 14.10 C ATOM 0 H VAL A 80 19.488 -7.595 -0.147 1.00 11.31 H new ATOM 0 HA VAL A 80 18.091 -5.698 -1.976 1.00 1.54 H new ATOM 0 HB VAL A 80 20.573 -5.444 -1.210 1.00 13.30 H new ATOM 0 HG11 VAL A 80 22.146 -6.584 -2.734 1.00 21.05 H new ATOM 0 HG12 VAL A 80 21.271 -7.734 -1.696 1.00 21.05 H new ATOM 0 HG13 VAL A 80 20.798 -7.536 -3.400 1.00 21.05 H new ATOM 0 HG21 VAL A 80 21.097 -4.450 -3.409 1.00 14.10 H new ATOM 0 HG22 VAL A 80 19.691 -5.283 -4.112 1.00 14.10 H new ATOM 0 HG23 VAL A 80 19.454 -4.037 -2.864 1.00 14.10 H new ATOM 1362 N ASN A 81 17.529 -7.381 -3.637 1.00 15.43 N ATOM 1363 CA ASN A 81 17.072 -8.395 -4.572 1.00 0.40 C ATOM 1364 C ASN A 81 16.774 -9.688 -3.810 1.00 40.43 C ATOM 1365 O ASN A 81 17.436 -10.703 -4.021 1.00 0.25 O ATOM 1366 CB ASN A 81 18.144 -8.700 -5.620 1.00 51.31 C ATOM 1367 CG ASN A 81 18.277 -7.549 -6.620 1.00 35.12 C ATOM 1368 OD1 ASN A 81 18.700 -6.410 -6.080 1.00 12.22 O flip ATOM 1369 ND2 ASN A 81 18.012 -7.687 -7.803 1.00 50.32 N flip ATOM 0 H ASN A 81 17.102 -6.463 -3.762 1.00 15.43 H new ATOM 0 HA ASN A 81 16.178 -8.018 -5.069 1.00 0.40 H new ATOM 0 HB2 ASN A 81 19.101 -8.871 -5.127 1.00 51.31 H new ATOM 0 HB3 ASN A 81 17.890 -9.618 -6.149 1.00 51.31 H new ATOM 0 HD21 ASN A 81 17.692 -8.590 -8.152 1.00 50.32 H new ATOM 0 HD22 ASN A 81 18.111 -6.899 -8.443 1.00 50.32 H new ATOM 1376 N ASP A 82 15.777 -9.608 -2.941 1.00 62.41 N ATOM 1377 CA ASP A 82 15.383 -10.760 -2.147 1.00 4.20 C ATOM 1378 C ASP A 82 16.636 -11.505 -1.681 1.00 72.14 C ATOM 1379 O ASP A 82 16.640 -12.733 -1.607 1.00 42.11 O ATOM 1380 CB ASP A 82 14.533 -11.731 -2.969 1.00 4.24 C ATOM 1381 CG ASP A 82 13.211 -11.157 -3.483 1.00 25.41 C ATOM 1382 OD1 ASP A 82 13.193 -10.180 -4.246 1.00 1.25 O ATOM 1383 OD2 ASP A 82 12.154 -11.765 -3.063 1.00 53.03 O ATOM 0 H ASP A 82 15.230 -8.764 -2.769 1.00 62.41 H new ATOM 0 HA ASP A 82 14.801 -10.402 -1.298 1.00 4.20 H new ATOM 0 HB2 ASP A 82 15.120 -12.072 -3.822 1.00 4.24 H new ATOM 0 HB3 ASP A 82 14.318 -12.608 -2.359 1.00 4.24 H new ATOM 1389 N THR A 83 17.668 -10.731 -1.380 1.00 23.41 N ATOM 1390 CA THR A 83 18.924 -11.303 -0.924 1.00 32.04 C ATOM 1391 C THR A 83 19.473 -10.506 0.261 1.00 21.12 C ATOM 1392 O THR A 83 18.870 -9.521 0.684 1.00 3.13 O ATOM 1393 CB THR A 83 19.880 -11.356 -2.116 1.00 45.34 C ATOM 1394 OG1 THR A 83 20.425 -12.672 -2.067 1.00 53.31 O ATOM 1395 CG2 THR A 83 21.095 -10.443 -1.934 1.00 30.23 C ATOM 0 H THR A 83 17.661 -9.713 -1.443 1.00 23.41 H new ATOM 0 HA THR A 83 18.785 -12.319 -0.556 1.00 32.04 H new ATOM 0 HB THR A 83 19.345 -11.072 -3.022 1.00 45.34 H new ATOM 0 HG1 THR A 83 21.055 -12.793 -2.807 1.00 53.31 H new ATOM 0 HG21 THR A 83 21.741 -10.519 -2.809 1.00 30.23 H new ATOM 0 HG22 THR A 83 20.761 -9.412 -1.818 1.00 30.23 H new ATOM 0 HG23 THR A 83 21.649 -10.747 -1.046 1.00 30.23 H new ATOM 1403 N LEU A 84 20.611 -10.962 0.763 1.00 22.23 N ATOM 1404 CA LEU A 84 21.249 -10.304 1.891 1.00 33.10 C ATOM 1405 C LEU A 84 22.762 -10.272 1.669 1.00 61.25 C ATOM 1406 O LEU A 84 23.449 -11.264 1.907 1.00 3.03 O ATOM 1407 CB LEU A 84 20.834 -10.970 3.204 1.00 21.35 C ATOM 1408 CG LEU A 84 20.989 -10.119 4.466 1.00 30.14 C ATOM 1409 CD1 LEU A 84 19.707 -9.339 4.762 1.00 34.03 C ATOM 1410 CD2 LEU A 84 21.426 -10.977 5.656 1.00 54.40 C ATOM 0 H LEU A 84 21.108 -11.779 0.409 1.00 22.23 H new ATOM 0 HA LEU A 84 20.916 -9.269 1.966 1.00 33.10 H new ATOM 0 HB2 LEU A 84 19.790 -11.274 3.120 1.00 21.35 H new ATOM 0 HB3 LEU A 84 21.422 -11.880 3.329 1.00 21.35 H new ATOM 0 HG LEU A 84 21.778 -9.387 4.290 1.00 30.14 H new ATOM 0 HD11 LEU A 84 19.844 -8.742 5.664 1.00 34.03 H new ATOM 0 HD12 LEU A 84 19.479 -8.681 3.923 1.00 34.03 H new ATOM 0 HD13 LEU A 84 18.883 -10.037 4.910 1.00 34.03 H new ATOM 0 HD21 LEU A 84 21.529 -10.348 6.540 1.00 54.40 H new ATOM 0 HD22 LEU A 84 20.678 -11.747 5.844 1.00 54.40 H new ATOM 0 HD23 LEU A 84 22.383 -11.448 5.433 1.00 54.40 H new ATOM 1422 N PRO A 85 23.250 -9.092 1.202 1.00 53.45 N ATOM 1423 CA PRO A 85 24.669 -8.917 0.944 1.00 30.41 C ATOM 1424 C PRO A 85 25.448 -8.762 2.252 1.00 44.15 C ATOM 1425 O PRO A 85 24.862 -8.502 3.301 1.00 51.52 O ATOM 1426 CB PRO A 85 24.759 -7.692 0.049 1.00 1.04 C ATOM 1427 CG PRO A 85 23.440 -6.955 0.218 1.00 63.12 C ATOM 1428 CD PRO A 85 22.466 -7.896 0.907 1.00 14.33 C ATOM 0 HA PRO A 85 25.118 -9.782 0.456 1.00 30.41 H new ATOM 0 HB2 PRO A 85 25.599 -7.060 0.336 1.00 1.04 H new ATOM 0 HB3 PRO A 85 24.916 -7.979 -0.991 1.00 1.04 H new ATOM 0 HG2 PRO A 85 23.581 -6.051 0.810 1.00 63.12 H new ATOM 0 HG3 PRO A 85 23.050 -6.644 -0.751 1.00 63.12 H new ATOM 0 HD2 PRO A 85 22.064 -7.452 1.818 1.00 14.33 H new ATOM 0 HD3 PRO A 85 21.617 -8.128 0.263 1.00 14.33 H new ATOM 1436 N PRO A 86 26.793 -8.932 2.143 1.00 63.44 N ATOM 1437 CA PRO A 86 27.659 -8.814 3.303 1.00 1.43 C ATOM 1438 C PRO A 86 27.842 -7.348 3.703 1.00 24.11 C ATOM 1439 O PRO A 86 27.578 -6.447 2.909 1.00 43.41 O ATOM 1440 CB PRO A 86 28.960 -9.485 2.894 1.00 0.21 C ATOM 1441 CG PRO A 86 28.940 -9.541 1.375 1.00 2.02 C ATOM 1442 CD PRO A 86 27.523 -9.242 0.916 1.00 15.42 C ATOM 0 HA PRO A 86 27.242 -9.292 4.189 1.00 1.43 H new ATOM 0 HB2 PRO A 86 29.820 -8.920 3.253 1.00 0.21 H new ATOM 0 HB3 PRO A 86 29.035 -10.485 3.321 1.00 0.21 H new ATOM 0 HG2 PRO A 86 29.638 -8.815 0.957 1.00 2.02 H new ATOM 0 HG3 PRO A 86 29.255 -10.524 1.025 1.00 2.02 H new ATOM 0 HD2 PRO A 86 27.501 -8.404 0.220 1.00 15.42 H new ATOM 0 HD3 PRO A 86 27.085 -10.097 0.400 1.00 15.42 H new ATOM 1450 N THR A 87 28.293 -7.156 4.934 1.00 44.41 N ATOM 1451 CA THR A 87 28.515 -5.815 5.449 1.00 63.04 C ATOM 1452 C THR A 87 29.844 -5.259 4.933 1.00 50.11 C ATOM 1453 O THR A 87 30.209 -4.126 5.243 1.00 51.12 O ATOM 1454 CB THR A 87 28.433 -5.875 6.975 1.00 22.12 C ATOM 1455 OG1 THR A 87 28.748 -4.549 7.392 1.00 34.42 O ATOM 1456 CG2 THR A 87 29.543 -6.732 7.588 1.00 42.40 C ATOM 0 H THR A 87 28.511 -7.906 5.590 1.00 44.41 H new ATOM 0 HA THR A 87 27.750 -5.124 5.095 1.00 63.04 H new ATOM 0 HB THR A 87 27.462 -6.273 7.271 1.00 22.12 H new ATOM 0 HG1 THR A 87 29.205 -4.077 6.665 1.00 34.42 H new ATOM 0 HG21 THR A 87 29.439 -6.741 8.673 1.00 42.40 H new ATOM 0 HG22 THR A 87 29.468 -7.751 7.208 1.00 42.40 H new ATOM 0 HG23 THR A 87 30.514 -6.315 7.320 1.00 42.40 H new ATOM 1464 N ALA A 88 30.531 -6.082 4.155 1.00 60.04 N ATOM 1465 CA ALA A 88 31.811 -5.687 3.593 1.00 45.31 C ATOM 1466 C ALA A 88 31.615 -5.258 2.137 1.00 34.43 C ATOM 1467 O ALA A 88 32.341 -4.403 1.635 1.00 41.44 O ATOM 1468 CB ALA A 88 32.808 -6.840 3.732 1.00 52.53 C ATOM 0 H ALA A 88 30.225 -7.021 3.900 1.00 60.04 H new ATOM 0 HA ALA A 88 32.220 -4.835 4.135 1.00 45.31 H new ATOM 0 HB1 ALA A 88 33.768 -6.543 3.310 1.00 52.53 H new ATOM 0 HB2 ALA A 88 32.935 -7.086 4.786 1.00 52.53 H new ATOM 0 HB3 ALA A 88 32.432 -7.713 3.199 1.00 52.53 H new ATOM 1474 N ALA A 89 30.628 -5.873 1.501 1.00 22.23 N ATOM 1475 CA ALA A 89 30.327 -5.566 0.113 1.00 35.35 C ATOM 1476 C ALA A 89 30.404 -4.053 -0.098 1.00 61.02 C ATOM 1477 O ALA A 89 30.005 -3.280 0.771 1.00 0.22 O ATOM 1478 CB ALA A 89 28.954 -6.136 -0.249 1.00 35.03 C ATOM 0 H ALA A 89 30.027 -6.582 1.921 1.00 22.23 H new ATOM 0 HA ALA A 89 31.058 -6.029 -0.550 1.00 35.35 H new ATOM 0 HB1 ALA A 89 28.728 -5.906 -1.290 1.00 35.03 H new ATOM 0 HB2 ALA A 89 28.960 -7.217 -0.109 1.00 35.03 H new ATOM 0 HB3 ALA A 89 28.194 -5.692 0.394 1.00 35.03 H new ATOM 1484 N LEU A 90 30.921 -3.676 -1.258 1.00 54.34 N ATOM 1485 CA LEU A 90 31.056 -2.269 -1.595 1.00 53.34 C ATOM 1486 C LEU A 90 29.835 -1.823 -2.403 1.00 43.32 C ATOM 1487 O LEU A 90 29.389 -2.532 -3.304 1.00 23.35 O ATOM 1488 CB LEU A 90 32.388 -2.013 -2.302 1.00 42.43 C ATOM 1489 CG LEU A 90 33.079 -0.688 -1.972 1.00 53.33 C ATOM 1490 CD1 LEU A 90 33.269 -0.530 -0.462 1.00 51.35 C ATOM 1491 CD2 LEU A 90 34.399 -0.553 -2.733 1.00 61.14 C ATOM 0 H LEU A 90 31.251 -4.320 -1.976 1.00 54.34 H new ATOM 0 HA LEU A 90 31.080 -1.661 -0.691 1.00 53.34 H new ATOM 0 HB2 LEU A 90 33.070 -2.827 -2.055 1.00 42.43 H new ATOM 0 HB3 LEU A 90 32.219 -2.054 -3.378 1.00 42.43 H new ATOM 0 HG LEU A 90 32.433 0.125 -2.302 1.00 53.33 H new ATOM 0 HD11 LEU A 90 33.762 0.420 -0.255 1.00 51.35 H new ATOM 0 HD12 LEU A 90 32.297 -0.549 0.031 1.00 51.35 H new ATOM 0 HD13 LEU A 90 33.883 -1.348 -0.085 1.00 51.35 H new ATOM 0 HD21 LEU A 90 34.869 0.397 -2.480 1.00 61.14 H new ATOM 0 HD22 LEU A 90 35.064 -1.372 -2.457 1.00 61.14 H new ATOM 0 HD23 LEU A 90 34.206 -0.588 -3.805 1.00 61.14 H new ATOM 1503 N MET A 91 29.330 -0.649 -2.052 1.00 73.42 N ATOM 1504 CA MET A 91 28.170 -0.100 -2.733 1.00 74.44 C ATOM 1505 C MET A 91 28.467 0.140 -4.215 1.00 14.31 C ATOM 1506 O MET A 91 27.554 0.381 -5.003 1.00 51.35 O ATOM 1507 CB MET A 91 27.766 1.219 -2.072 1.00 44.24 C ATOM 1508 CG MET A 91 27.547 1.035 -0.569 1.00 64.03 C ATOM 1509 SD MET A 91 26.402 -0.303 -0.279 1.00 25.23 S ATOM 1510 CE MET A 91 24.855 0.565 -0.475 1.00 20.32 C ATOM 0 H MET A 91 29.703 -0.063 -1.305 1.00 73.42 H new ATOM 0 HA MET A 91 27.354 -0.818 -2.657 1.00 74.44 H new ATOM 0 HB2 MET A 91 28.541 1.967 -2.241 1.00 44.24 H new ATOM 0 HB3 MET A 91 26.853 1.596 -2.533 1.00 44.24 H new ATOM 0 HG2 MET A 91 28.497 0.825 -0.078 1.00 64.03 H new ATOM 0 HG3 MET A 91 27.160 1.957 -0.134 1.00 64.03 H new ATOM 0 HE1 MET A 91 24.027 -0.128 -0.326 1.00 20.32 H new ATOM 0 HE2 MET A 91 24.793 1.368 0.259 1.00 20.32 H new ATOM 0 HE3 MET A 91 24.799 0.986 -1.479 1.00 20.32 H new ATOM 1520 N SER A 92 29.747 0.067 -4.548 1.00 73.45 N ATOM 1521 CA SER A 92 30.175 0.273 -5.921 1.00 44.54 C ATOM 1522 C SER A 92 29.919 -0.990 -6.746 1.00 4.15 C ATOM 1523 O SER A 92 29.334 -0.923 -7.825 1.00 70.13 O ATOM 1524 CB SER A 92 31.655 0.657 -5.984 1.00 40.53 C ATOM 1525 OG SER A 92 32.504 -0.430 -5.629 1.00 24.14 O ATOM 0 H SER A 92 30.501 -0.132 -3.891 1.00 73.45 H new ATOM 0 HA SER A 92 29.595 1.095 -6.340 1.00 44.54 H new ATOM 0 HB2 SER A 92 31.900 0.994 -6.991 1.00 40.53 H new ATOM 0 HB3 SER A 92 31.841 1.496 -5.313 1.00 40.53 H new ATOM 0 HG SER A 92 33.434 -0.199 -5.835 1.00 24.14 H new ATOM 1531 N ALA A 93 30.371 -2.112 -6.205 1.00 33.12 N ATOM 1532 CA ALA A 93 30.198 -3.389 -6.877 1.00 12.14 C ATOM 1533 C ALA A 93 28.730 -3.811 -6.790 1.00 72.21 C ATOM 1534 O ALA A 93 28.205 -4.438 -7.709 1.00 43.03 O ATOM 1535 CB ALA A 93 31.140 -4.423 -6.257 1.00 74.51 C ATOM 0 H ALA A 93 30.857 -2.163 -5.309 1.00 33.12 H new ATOM 0 HA ALA A 93 30.455 -3.306 -7.933 1.00 12.14 H new ATOM 0 HB1 ALA A 93 31.011 -5.381 -6.761 1.00 74.51 H new ATOM 0 HB2 ALA A 93 32.172 -4.090 -6.370 1.00 74.51 H new ATOM 0 HB3 ALA A 93 30.910 -4.536 -5.198 1.00 74.51 H new ATOM 1541 N ILE A 94 28.108 -3.451 -5.677 1.00 2.21 N ATOM 1542 CA ILE A 94 26.711 -3.785 -5.458 1.00 51.54 C ATOM 1543 C ILE A 94 25.853 -3.088 -6.517 1.00 2.13 C ATOM 1544 O ILE A 94 25.174 -3.747 -7.302 1.00 54.22 O ATOM 1545 CB ILE A 94 26.300 -3.457 -4.021 1.00 64.53 C ATOM 1546 CG1 ILE A 94 27.042 -4.348 -3.023 1.00 23.51 C ATOM 1547 CG2 ILE A 94 24.782 -3.546 -3.851 1.00 25.20 C ATOM 1548 CD1 ILE A 94 26.478 -5.771 -3.033 1.00 4.31 C ATOM 0 H ILE A 94 28.546 -2.931 -4.917 1.00 2.21 H new ATOM 0 HA ILE A 94 26.553 -4.857 -5.573 1.00 51.54 H new ATOM 0 HB ILE A 94 26.587 -2.427 -3.809 1.00 64.53 H new ATOM 0 HG12 ILE A 94 28.103 -4.372 -3.271 1.00 23.51 H new ATOM 0 HG13 ILE A 94 26.958 -3.927 -2.021 1.00 23.51 H new ATOM 0 HG21 ILE A 94 24.517 -3.308 -2.821 1.00 25.20 H new ATOM 0 HG22 ILE A 94 24.298 -2.837 -4.523 1.00 25.20 H new ATOM 0 HG23 ILE A 94 24.448 -4.556 -4.088 1.00 25.20 H new ATOM 0 HD11 ILE A 94 27.023 -6.383 -2.315 1.00 4.31 H new ATOM 0 HD12 ILE A 94 25.423 -5.746 -2.761 1.00 4.31 H new ATOM 0 HD13 ILE A 94 26.586 -6.198 -4.030 1.00 4.31 H new ATOM 1560 N TYR A 95 25.913 -1.764 -6.503 1.00 73.42 N ATOM 1561 CA TYR A 95 25.150 -0.971 -7.452 1.00 72.30 C ATOM 1562 C TYR A 95 25.480 -1.371 -8.892 1.00 30.15 C ATOM 1563 O TYR A 95 24.690 -1.130 -9.803 1.00 43.02 O ATOM 1564 CB TYR A 95 25.577 0.481 -7.228 1.00 22.52 C ATOM 1565 CG TYR A 95 25.051 1.454 -8.284 1.00 14.32 C ATOM 1566 CD1 TYR A 95 25.550 1.414 -9.570 1.00 34.21 C ATOM 1567 CD2 TYR A 95 24.076 2.373 -7.950 1.00 44.53 C ATOM 1568 CE1 TYR A 95 25.054 2.330 -10.564 1.00 0.43 C ATOM 1569 CE2 TYR A 95 23.581 3.290 -8.944 1.00 52.02 C ATOM 1570 CZ TYR A 95 24.094 3.223 -10.202 1.00 1.32 C ATOM 1571 OH TYR A 95 23.626 4.089 -11.141 1.00 30.05 O ATOM 0 H TYR A 95 26.478 -1.221 -5.850 1.00 73.42 H new ATOM 0 HA TYR A 95 24.080 -1.120 -7.304 1.00 72.30 H new ATOM 0 HB2 TYR A 95 25.230 0.804 -6.246 1.00 22.52 H new ATOM 0 HB3 TYR A 95 26.666 0.531 -7.213 1.00 22.52 H new ATOM 0 HD1 TYR A 95 26.313 0.695 -9.831 1.00 34.21 H new ATOM 0 HD2 TYR A 95 23.685 2.404 -6.944 1.00 44.53 H new ATOM 0 HE1 TYR A 95 25.436 2.309 -11.574 1.00 0.43 H new ATOM 0 HE2 TYR A 95 22.820 4.015 -8.696 1.00 52.02 H new ATOM 0 HH TYR A 95 22.943 4.667 -10.741 1.00 30.05 H new ATOM 1581 N GLN A 96 26.648 -1.976 -9.051 1.00 2.42 N ATOM 1582 CA GLN A 96 27.093 -2.411 -10.364 1.00 34.21 C ATOM 1583 C GLN A 96 26.195 -3.537 -10.881 1.00 62.14 C ATOM 1584 O GLN A 96 25.885 -3.592 -12.070 1.00 40.45 O ATOM 1585 CB GLN A 96 28.558 -2.850 -10.329 1.00 72.01 C ATOM 1586 CG GLN A 96 29.469 -1.766 -10.909 1.00 12.14 C ATOM 1587 CD GLN A 96 30.865 -1.833 -10.286 1.00 50.34 C ATOM 1588 OE1 GLN A 96 31.502 -2.872 -10.238 1.00 61.11 O ATOM 1589 NE2 GLN A 96 31.303 -0.669 -9.815 1.00 23.04 N ATOM 0 H GLN A 96 27.300 -2.175 -8.292 1.00 2.42 H new ATOM 0 HA GLN A 96 27.018 -1.568 -11.050 1.00 34.21 H new ATOM 0 HB2 GLN A 96 28.852 -3.066 -9.302 1.00 72.01 H new ATOM 0 HB3 GLN A 96 28.678 -3.773 -10.896 1.00 72.01 H new ATOM 0 HG2 GLN A 96 29.543 -1.888 -11.990 1.00 12.14 H new ATOM 0 HG3 GLN A 96 29.033 -0.784 -10.728 1.00 12.14 H new ATOM 0 HE21 GLN A 96 30.718 0.163 -9.888 1.00 23.04 H new ATOM 0 HE22 GLN A 96 32.224 -0.608 -9.381 1.00 23.04 H new ATOM 1598 N GLU A 97 25.803 -4.408 -9.963 1.00 43.10 N ATOM 1599 CA GLU A 97 24.948 -5.529 -10.312 1.00 33.43 C ATOM 1600 C GLU A 97 23.556 -5.344 -9.704 1.00 72.12 C ATOM 1601 O GLU A 97 22.675 -6.181 -9.895 1.00 71.11 O ATOM 1602 CB GLU A 97 25.570 -6.854 -9.864 1.00 14.52 C ATOM 1603 CG GLU A 97 26.559 -7.375 -10.908 1.00 21.55 C ATOM 1604 CD GLU A 97 26.645 -8.903 -10.866 1.00 2.50 C ATOM 1605 OE1 GLU A 97 27.348 -9.461 -10.010 1.00 54.30 O ATOM 1606 OE2 GLU A 97 25.948 -9.513 -11.764 1.00 3.51 O ATOM 0 H GLU A 97 26.062 -4.360 -8.978 1.00 43.10 H new ATOM 0 HA GLU A 97 24.848 -5.561 -11.397 1.00 33.43 H new ATOM 0 HB2 GLU A 97 26.081 -6.716 -8.911 1.00 14.52 H new ATOM 0 HB3 GLU A 97 24.785 -7.592 -9.701 1.00 14.52 H new ATOM 0 HG2 GLU A 97 26.249 -7.052 -11.902 1.00 21.55 H new ATOM 0 HG3 GLU A 97 27.545 -6.946 -10.727 1.00 21.55 H new ATOM 1614 N HIS A 98 23.401 -4.242 -8.985 1.00 31.42 N ATOM 1615 CA HIS A 98 22.131 -3.937 -8.348 1.00 40.41 C ATOM 1616 C HIS A 98 21.590 -2.613 -8.892 1.00 52.01 C ATOM 1617 O HIS A 98 20.848 -1.912 -8.206 1.00 34.54 O ATOM 1618 CB HIS A 98 22.273 -3.938 -6.825 1.00 11.12 C ATOM 1619 CG HIS A 98 22.540 -5.302 -6.234 1.00 53.20 C ATOM 1620 ND1 HIS A 98 21.527 -6.177 -5.881 1.00 3.23 N ATOM 1621 CD2 HIS A 98 23.713 -5.932 -5.940 1.00 2.44 C ATOM 1622 CE1 HIS A 98 22.078 -7.280 -5.396 1.00 1.24 C ATOM 1623 NE2 HIS A 98 23.433 -7.126 -5.433 1.00 11.35 N ATOM 0 H HIS A 98 24.134 -3.550 -8.829 1.00 31.42 H new ATOM 0 HA HIS A 98 21.404 -4.713 -8.587 1.00 40.41 H new ATOM 0 HB2 HIS A 98 23.085 -3.267 -6.546 1.00 11.12 H new ATOM 0 HB3 HIS A 98 21.361 -3.535 -6.385 1.00 11.12 H new ATOM 0 HD1 HIS A 98 20.527 -6.002 -5.978 1.00 3.23 H new ATOM 0 HD2 HIS A 98 24.703 -5.528 -6.094 1.00 2.44 H new ATOM 0 HE1 HIS A 98 21.548 -8.149 -5.035 1.00 1.24 H new ATOM 1631 N LYS A 99 21.983 -2.310 -10.121 1.00 34.32 N ATOM 1632 CA LYS A 99 21.546 -1.083 -10.765 1.00 62.20 C ATOM 1633 C LYS A 99 20.423 -1.403 -11.754 1.00 4.20 C ATOM 1634 O LYS A 99 20.544 -2.326 -12.558 1.00 52.21 O ATOM 1635 CB LYS A 99 22.736 -0.358 -11.398 1.00 74.32 C ATOM 1636 CG LYS A 99 22.287 0.501 -12.582 1.00 71.01 C ATOM 1637 CD LYS A 99 22.376 -0.283 -13.893 1.00 54.21 C ATOM 1638 CE LYS A 99 23.774 -0.172 -14.504 1.00 73.44 C ATOM 1639 NZ LYS A 99 23.702 -0.251 -15.981 1.00 33.24 N ATOM 0 H LYS A 99 22.599 -2.893 -10.687 1.00 34.32 H new ATOM 0 HA LYS A 99 21.135 -0.391 -10.029 1.00 62.20 H new ATOM 0 HB2 LYS A 99 23.223 0.270 -10.652 1.00 74.32 H new ATOM 0 HB3 LYS A 99 23.475 -1.087 -11.732 1.00 74.32 H new ATOM 0 HG2 LYS A 99 21.262 0.837 -12.424 1.00 71.01 H new ATOM 0 HG3 LYS A 99 22.909 1.394 -12.645 1.00 71.01 H new ATOM 0 HD2 LYS A 99 22.137 -1.331 -13.711 1.00 54.21 H new ATOM 0 HD3 LYS A 99 21.636 0.095 -14.598 1.00 54.21 H new ATOM 0 HE2 LYS A 99 24.234 0.770 -14.206 1.00 73.44 H new ATOM 0 HE3 LYS A 99 24.409 -0.971 -14.122 1.00 73.44 H new ATOM 0 HZ1 LYS A 99 24.659 -0.174 -16.380 1.00 33.24 H new ATOM 0 HZ2 LYS A 99 23.283 -1.161 -16.260 1.00 33.24 H new ATOM 0 HZ3 LYS A 99 23.113 0.527 -16.342 1.00 33.24 H new ATOM 1652 N ASP A 100 19.357 -0.622 -11.662 1.00 1.10 N ATOM 1653 CA ASP A 100 18.214 -0.810 -12.539 1.00 33.24 C ATOM 1654 C ASP A 100 18.394 0.043 -13.795 1.00 40.54 C ATOM 1655 O ASP A 100 19.395 0.745 -13.935 1.00 54.13 O ATOM 1656 CB ASP A 100 16.917 -0.375 -11.854 1.00 12.15 C ATOM 1657 CG ASP A 100 15.652 -1.067 -12.365 1.00 54.40 C ATOM 1658 OD1 ASP A 100 14.554 -0.875 -11.820 1.00 24.31 O ATOM 1659 OD2 ASP A 100 15.827 -1.841 -13.382 1.00 32.13 O ATOM 0 H ASP A 100 19.261 0.142 -10.994 1.00 1.10 H new ATOM 0 HA ASP A 100 18.152 -1.869 -12.790 1.00 33.24 H new ATOM 0 HB2 ASP A 100 17.008 -0.562 -10.784 1.00 12.15 H new ATOM 0 HB3 ASP A 100 16.800 0.701 -11.980 1.00 12.15 H new ATOM 1665 N LYS A 101 17.410 -0.044 -14.678 1.00 33.31 N ATOM 1666 CA LYS A 101 17.447 0.711 -15.918 1.00 42.45 C ATOM 1667 C LYS A 101 17.410 2.208 -15.600 1.00 62.55 C ATOM 1668 O LYS A 101 17.715 3.036 -16.457 1.00 60.44 O ATOM 1669 CB LYS A 101 16.329 0.255 -16.858 1.00 65.51 C ATOM 1670 CG LYS A 101 16.610 -1.148 -17.402 1.00 54.33 C ATOM 1671 CD LYS A 101 15.905 -1.367 -18.743 1.00 13.45 C ATOM 1672 CE LYS A 101 14.495 -0.772 -18.724 1.00 70.50 C ATOM 1673 NZ LYS A 101 13.671 -1.425 -17.682 1.00 22.02 N ATOM 0 H LYS A 101 16.581 -0.627 -14.559 1.00 33.31 H new ATOM 0 HA LYS A 101 18.378 0.520 -16.452 1.00 42.45 H new ATOM 0 HB2 LYS A 101 15.377 0.259 -16.326 1.00 65.51 H new ATOM 0 HB3 LYS A 101 16.235 0.958 -17.686 1.00 65.51 H new ATOM 0 HG2 LYS A 101 17.684 -1.286 -17.525 1.00 54.33 H new ATOM 0 HG3 LYS A 101 16.273 -1.895 -16.683 1.00 54.33 H new ATOM 0 HD2 LYS A 101 16.486 -0.909 -19.543 1.00 13.45 H new ATOM 0 HD3 LYS A 101 15.851 -2.434 -18.960 1.00 13.45 H new ATOM 0 HE2 LYS A 101 14.549 0.300 -18.535 1.00 70.50 H new ATOM 0 HE3 LYS A 101 14.027 -0.900 -19.700 1.00 70.50 H new ATOM 0 HZ1 LYS A 101 12.740 -1.666 -18.077 1.00 22.02 H new ATOM 0 HZ2 LYS A 101 14.145 -2.292 -17.358 1.00 22.02 H new ATOM 0 HZ3 LYS A 101 13.549 -0.776 -16.879 1.00 22.02 H new ATOM 1686 N ASP A 102 17.034 2.508 -14.366 1.00 42.52 N ATOM 1687 CA ASP A 102 16.953 3.890 -13.924 1.00 43.45 C ATOM 1688 C ASP A 102 18.277 4.290 -13.270 1.00 2.30 C ATOM 1689 O ASP A 102 18.544 5.475 -13.073 1.00 74.12 O ATOM 1690 CB ASP A 102 15.841 4.074 -12.891 1.00 35.02 C ATOM 1691 CG ASP A 102 15.973 3.207 -11.637 1.00 71.22 C ATOM 1692 OD1 ASP A 102 17.083 2.975 -11.135 1.00 72.13 O ATOM 1693 OD2 ASP A 102 14.860 2.755 -11.167 1.00 71.41 O ATOM 0 H ASP A 102 16.782 1.818 -13.658 1.00 42.52 H new ATOM 0 HA ASP A 102 16.742 4.510 -14.795 1.00 43.45 H new ATOM 0 HB2 ASP A 102 15.816 5.121 -12.589 1.00 35.02 H new ATOM 0 HB3 ASP A 102 14.885 3.856 -13.366 1.00 35.02 H new ATOM 1699 N GLY A 103 19.072 3.279 -12.951 1.00 11.42 N ATOM 1700 CA GLY A 103 20.362 3.511 -12.323 1.00 35.44 C ATOM 1701 C GLY A 103 20.271 3.339 -10.805 1.00 12.21 C ATOM 1702 O GLY A 103 21.061 2.607 -10.211 1.00 12.01 O ATOM 0 H GLY A 103 18.848 2.298 -13.116 1.00 11.42 H new ATOM 0 HA2 GLY A 103 21.098 2.816 -12.728 1.00 35.44 H new ATOM 0 HA3 GLY A 103 20.710 4.517 -12.559 1.00 35.44 H new ATOM 1706 N PHE A 104 19.300 4.027 -10.221 1.00 25.22 N ATOM 1707 CA PHE A 104 19.096 3.960 -8.784 1.00 22.23 C ATOM 1708 C PHE A 104 19.140 2.512 -8.291 1.00 12.15 C ATOM 1709 O PHE A 104 19.196 1.581 -9.092 1.00 61.12 O ATOM 1710 CB PHE A 104 17.709 4.541 -8.502 1.00 22.44 C ATOM 1711 CG PHE A 104 17.730 5.987 -8.004 1.00 52.41 C ATOM 1712 CD1 PHE A 104 17.904 6.249 -6.681 1.00 0.01 C ATOM 1713 CD2 PHE A 104 17.574 7.012 -8.885 1.00 72.41 C ATOM 1714 CE1 PHE A 104 17.923 7.592 -6.219 1.00 61.32 C ATOM 1715 CE2 PHE A 104 17.593 8.354 -8.423 1.00 51.43 C ATOM 1716 CZ PHE A 104 17.767 8.616 -7.100 1.00 41.01 C ATOM 0 H PHE A 104 18.647 4.633 -10.717 1.00 25.22 H new ATOM 0 HA PHE A 104 19.881 4.514 -8.270 1.00 22.23 H new ATOM 0 HB2 PHE A 104 17.113 4.490 -9.413 1.00 22.44 H new ATOM 0 HB3 PHE A 104 17.210 3.919 -7.759 1.00 22.44 H new ATOM 0 HD1 PHE A 104 18.028 5.436 -5.981 1.00 0.01 H new ATOM 0 HD2 PHE A 104 17.436 6.805 -9.936 1.00 72.41 H new ATOM 0 HE1 PHE A 104 18.061 7.800 -5.168 1.00 61.32 H new ATOM 0 HE2 PHE A 104 17.469 9.167 -9.123 1.00 51.43 H new ATOM 0 HZ PHE A 104 17.781 9.637 -6.749 1.00 41.01 H new ATOM 1726 N LEU A 105 19.112 2.368 -6.974 1.00 1.02 N ATOM 1727 CA LEU A 105 19.148 1.049 -6.364 1.00 52.52 C ATOM 1728 C LEU A 105 17.819 0.785 -5.653 1.00 4.34 C ATOM 1729 O LEU A 105 17.119 1.721 -5.271 1.00 13.31 O ATOM 1730 CB LEU A 105 20.371 0.913 -5.455 1.00 34.52 C ATOM 1731 CG LEU A 105 21.591 0.225 -6.071 1.00 32.13 C ATOM 1732 CD1 LEU A 105 21.817 0.695 -7.509 1.00 21.30 C ATOM 1733 CD2 LEU A 105 22.832 0.428 -5.200 1.00 22.45 C ATOM 0 H LEU A 105 19.065 3.143 -6.312 1.00 1.02 H new ATOM 0 HA LEU A 105 19.260 0.278 -7.127 1.00 52.52 H new ATOM 0 HB2 LEU A 105 20.668 1.909 -5.127 1.00 34.52 H new ATOM 0 HB3 LEU A 105 20.077 0.358 -4.564 1.00 34.52 H new ATOM 0 HG LEU A 105 21.396 -0.847 -6.109 1.00 32.13 H new ATOM 0 HD11 LEU A 105 22.690 0.191 -7.924 1.00 21.30 H new ATOM 0 HD12 LEU A 105 20.940 0.457 -8.112 1.00 21.30 H new ATOM 0 HD13 LEU A 105 21.982 1.772 -7.518 1.00 21.30 H new ATOM 0 HD21 LEU A 105 23.685 -0.071 -5.660 1.00 22.45 H new ATOM 0 HD22 LEU A 105 23.041 1.494 -5.108 1.00 22.45 H new ATOM 0 HD23 LEU A 105 22.655 0.006 -4.211 1.00 22.45 H new ATOM 1745 N TYR A 106 17.513 -0.494 -5.496 1.00 21.24 N ATOM 1746 CA TYR A 106 16.281 -0.893 -4.837 1.00 22.45 C ATOM 1747 C TYR A 106 16.566 -1.842 -3.671 1.00 33.53 C ATOM 1748 O TYR A 106 16.882 -3.012 -3.881 1.00 33.50 O ATOM 1749 CB TYR A 106 15.459 -1.634 -5.893 1.00 31.33 C ATOM 1750 CG TYR A 106 16.300 -2.452 -6.875 1.00 52.23 C ATOM 1751 CD1 TYR A 106 17.096 -1.810 -7.802 1.00 72.25 C ATOM 1752 CD2 TYR A 106 16.262 -3.831 -6.835 1.00 4.35 C ATOM 1753 CE1 TYR A 106 17.887 -2.580 -8.727 1.00 43.52 C ATOM 1754 CE2 TYR A 106 17.054 -4.600 -7.759 1.00 71.13 C ATOM 1755 CZ TYR A 106 17.827 -3.937 -8.660 1.00 3.40 C ATOM 1756 OH TYR A 106 18.575 -4.663 -9.533 1.00 72.24 O ATOM 0 H TYR A 106 18.097 -1.268 -5.814 1.00 21.24 H new ATOM 0 HA TYR A 106 15.760 -0.023 -4.437 1.00 22.45 H new ATOM 0 HB2 TYR A 106 14.756 -2.299 -5.391 1.00 31.33 H new ATOM 0 HB3 TYR A 106 14.868 -0.909 -6.453 1.00 31.33 H new ATOM 0 HD1 TYR A 106 17.126 -0.731 -7.834 1.00 72.25 H new ATOM 0 HD2 TYR A 106 15.638 -4.333 -6.110 1.00 4.35 H new ATOM 0 HE1 TYR A 106 18.514 -2.091 -9.458 1.00 43.52 H new ATOM 0 HE2 TYR A 106 17.035 -5.680 -7.737 1.00 71.13 H new ATOM 0 HH TYR A 106 19.384 -4.161 -9.767 1.00 72.24 H new ATOM 1766 N VAL A 107 16.443 -1.303 -2.467 1.00 5.12 N ATOM 1767 CA VAL A 107 16.684 -2.087 -1.267 1.00 74.23 C ATOM 1768 C VAL A 107 15.540 -1.859 -0.277 1.00 3.35 C ATOM 1769 O VAL A 107 14.810 -0.875 -0.382 1.00 52.32 O ATOM 1770 CB VAL A 107 18.057 -1.746 -0.685 1.00 14.41 C ATOM 1771 CG1 VAL A 107 18.392 -0.269 -0.901 1.00 52.40 C ATOM 1772 CG2 VAL A 107 18.130 -2.113 0.798 1.00 32.44 C ATOM 0 H VAL A 107 16.180 -0.333 -2.296 1.00 5.12 H new ATOM 0 HA VAL A 107 16.703 -3.151 -1.503 1.00 74.23 H new ATOM 0 HB VAL A 107 18.802 -2.340 -1.214 1.00 14.41 H new ATOM 0 HG11 VAL A 107 19.373 -0.053 -0.478 1.00 52.40 H new ATOM 0 HG12 VAL A 107 18.401 -0.050 -1.969 1.00 52.40 H new ATOM 0 HG13 VAL A 107 17.641 0.350 -0.410 1.00 52.40 H new ATOM 0 HG21 VAL A 107 19.116 -1.860 1.187 1.00 32.44 H new ATOM 0 HG22 VAL A 107 17.370 -1.558 1.348 1.00 32.44 H new ATOM 0 HG23 VAL A 107 17.956 -3.182 0.917 1.00 32.44 H new ATOM 1782 N THR A 108 15.421 -2.784 0.664 1.00 60.31 N ATOM 1783 CA THR A 108 14.379 -2.696 1.673 1.00 60.22 C ATOM 1784 C THR A 108 14.895 -3.210 3.018 1.00 31.04 C ATOM 1785 O THR A 108 15.478 -4.291 3.092 1.00 12.41 O ATOM 1786 CB THR A 108 13.157 -3.460 1.159 1.00 63.15 C ATOM 1787 OG1 THR A 108 13.037 -3.049 -0.200 1.00 42.34 O ATOM 1788 CG2 THR A 108 11.855 -2.987 1.808 1.00 50.15 C ATOM 0 H THR A 108 16.029 -3.598 0.749 1.00 60.31 H new ATOM 0 HA THR A 108 14.084 -1.661 1.847 1.00 60.22 H new ATOM 0 HB THR A 108 13.290 -4.525 1.347 1.00 63.15 H new ATOM 0 HG1 THR A 108 12.269 -3.498 -0.611 1.00 42.34 H new ATOM 0 HG21 THR A 108 11.019 -3.561 1.408 1.00 50.15 H new ATOM 0 HG22 THR A 108 11.912 -3.133 2.887 1.00 50.15 H new ATOM 0 HG23 THR A 108 11.704 -1.929 1.592 1.00 50.15 H new ATOM 1796 N TYR A 109 14.662 -2.411 4.049 1.00 34.33 N ATOM 1797 CA TYR A 109 15.095 -2.772 5.388 1.00 4.35 C ATOM 1798 C TYR A 109 13.927 -3.309 6.218 1.00 51.45 C ATOM 1799 O TYR A 109 12.774 -2.953 5.976 1.00 45.04 O ATOM 1800 CB TYR A 109 15.608 -1.480 6.028 1.00 54.51 C ATOM 1801 CG TYR A 109 14.522 -0.426 6.258 1.00 31.41 C ATOM 1802 CD1 TYR A 109 13.549 -0.636 7.214 1.00 2.34 C ATOM 1803 CD2 TYR A 109 14.515 0.733 5.509 1.00 3.14 C ATOM 1804 CE1 TYR A 109 12.527 0.355 7.431 1.00 3.50 C ATOM 1805 CE2 TYR A 109 13.494 1.724 5.726 1.00 15.30 C ATOM 1806 CZ TYR A 109 12.550 1.487 6.676 1.00 31.41 C ATOM 1807 OH TYR A 109 11.585 2.423 6.881 1.00 71.32 O ATOM 0 H TYR A 109 14.179 -1.515 3.984 1.00 34.33 H new ATOM 0 HA TYR A 109 15.857 -3.550 5.347 1.00 4.35 H new ATOM 0 HB2 TYR A 109 16.075 -1.720 6.983 1.00 54.51 H new ATOM 0 HB3 TYR A 109 16.384 -1.055 5.392 1.00 54.51 H new ATOM 0 HD1 TYR A 109 13.554 -1.544 7.799 1.00 2.34 H new ATOM 0 HD2 TYR A 109 15.276 0.896 4.760 1.00 3.14 H new ATOM 0 HE1 TYR A 109 11.760 0.203 8.176 1.00 3.50 H new ATOM 0 HE2 TYR A 109 13.478 2.636 5.147 1.00 15.30 H new ATOM 0 HH TYR A 109 11.886 3.059 7.564 1.00 71.32 H new ATOM 1817 N SER A 110 14.265 -4.156 7.178 1.00 33.12 N ATOM 1818 CA SER A 110 13.258 -4.745 8.044 1.00 31.54 C ATOM 1819 C SER A 110 13.904 -5.229 9.344 1.00 20.22 C ATOM 1820 O SER A 110 14.837 -6.030 9.317 1.00 3.01 O ATOM 1821 CB SER A 110 12.540 -5.902 7.346 1.00 14.03 C ATOM 1822 OG SER A 110 13.392 -7.030 7.167 1.00 3.40 O ATOM 0 H SER A 110 15.222 -4.449 7.376 1.00 33.12 H new ATOM 0 HA SER A 110 12.517 -3.980 8.276 1.00 31.54 H new ATOM 0 HB2 SER A 110 11.669 -6.195 7.933 1.00 14.03 H new ATOM 0 HB3 SER A 110 12.173 -5.568 6.376 1.00 14.03 H new ATOM 0 HG SER A 110 13.738 -7.320 8.037 1.00 3.40 H new ATOM 1828 N GLY A 111 13.382 -4.722 10.451 1.00 32.54 N ATOM 1829 CA GLY A 111 13.896 -5.093 11.759 1.00 41.21 C ATOM 1830 C GLY A 111 14.101 -6.606 11.859 1.00 0.32 C ATOM 1831 O GLY A 111 14.917 -7.074 12.651 1.00 23.04 O ATOM 0 H GLY A 111 12.608 -4.057 10.469 1.00 32.54 H new ATOM 0 HA2 GLY A 111 14.841 -4.582 11.941 1.00 41.21 H new ATOM 0 HA3 GLY A 111 13.202 -4.765 12.533 1.00 41.21 H new ATOM 1835 N GLU A 112 13.346 -7.328 11.045 1.00 60.22 N ATOM 1836 CA GLU A 112 13.435 -8.779 11.032 1.00 55.51 C ATOM 1837 C GLU A 112 14.430 -9.240 9.966 1.00 70.04 C ATOM 1838 O GLU A 112 14.739 -8.496 9.036 1.00 0.22 O ATOM 1839 CB GLU A 112 12.059 -9.410 10.808 1.00 41.23 C ATOM 1840 CG GLU A 112 12.064 -10.889 11.200 1.00 11.41 C ATOM 1841 CD GLU A 112 10.639 -11.407 11.402 1.00 14.13 C ATOM 1842 OE1 GLU A 112 9.719 -10.988 10.684 1.00 52.11 O ATOM 1843 OE2 GLU A 112 10.503 -12.277 12.345 1.00 25.10 O ATOM 0 H GLU A 112 12.670 -6.936 10.390 1.00 60.22 H new ATOM 0 HA GLU A 112 13.796 -9.111 12.005 1.00 55.51 H new ATOM 0 HB2 GLU A 112 11.311 -8.877 11.395 1.00 41.23 H new ATOM 0 HB3 GLU A 112 11.775 -9.309 9.761 1.00 41.23 H new ATOM 0 HG2 GLU A 112 12.561 -11.473 10.425 1.00 11.41 H new ATOM 0 HG3 GLU A 112 12.637 -11.024 12.117 1.00 11.41 H new ATOM 1851 N ASN A 113 14.904 -10.465 10.135 1.00 23.43 N ATOM 1852 CA ASN A 113 15.858 -11.035 9.199 1.00 44.10 C ATOM 1853 C ASN A 113 15.112 -11.894 8.177 1.00 62.45 C ATOM 1854 O ASN A 113 15.233 -13.118 8.183 1.00 62.41 O ATOM 1855 CB ASN A 113 16.870 -11.928 9.919 1.00 64.41 C ATOM 1856 CG ASN A 113 17.902 -12.490 8.938 1.00 55.11 C ATOM 1857 OD1 ASN A 113 17.999 -13.686 8.717 1.00 44.22 O ATOM 1858 ND2 ASN A 113 18.663 -11.563 8.364 1.00 10.20 N ATOM 0 H ASN A 113 14.645 -11.079 10.907 1.00 23.43 H new ATOM 0 HA ASN A 113 16.384 -10.214 8.712 1.00 44.10 H new ATOM 0 HB2 ASN A 113 17.376 -11.356 10.697 1.00 64.41 H new ATOM 0 HB3 ASN A 113 16.349 -12.748 10.414 1.00 64.41 H new ATOM 0 HD21 ASN A 113 19.381 -11.836 7.693 1.00 10.20 H new ATOM 0 HD22 ASN A 113 18.529 -10.579 8.594 1.00 10.20 H new ATOM 1865 N THR A 114 14.357 -11.219 7.322 1.00 30.45 N ATOM 1866 CA THR A 114 13.591 -11.906 6.296 1.00 2.01 C ATOM 1867 C THR A 114 13.918 -11.335 4.915 1.00 3.20 C ATOM 1868 O THR A 114 14.235 -10.153 4.787 1.00 31.11 O ATOM 1869 CB THR A 114 12.109 -11.801 6.662 1.00 43.51 C ATOM 1870 OG1 THR A 114 11.964 -10.466 7.141 1.00 21.41 O ATOM 1871 CG2 THR A 114 11.740 -12.671 7.865 1.00 53.22 C ATOM 0 H THR A 114 14.260 -10.204 7.319 1.00 30.45 H new ATOM 0 HA THR A 114 13.854 -12.963 6.247 1.00 2.01 H new ATOM 0 HB THR A 114 11.502 -12.091 5.805 1.00 43.51 H new ATOM 0 HG1 THR A 114 11.032 -10.311 7.399 1.00 21.41 H new ATOM 0 HG21 THR A 114 10.678 -12.560 8.082 1.00 53.22 H new ATOM 0 HG22 THR A 114 11.957 -13.715 7.639 1.00 53.22 H new ATOM 0 HG23 THR A 114 12.322 -12.359 8.732 1.00 53.22 H new ATOM 1879 N PHE A 115 13.830 -12.201 3.916 1.00 44.51 N ATOM 1880 CA PHE A 115 14.113 -11.797 2.549 1.00 61.00 C ATOM 1881 C PHE A 115 12.835 -11.359 1.831 1.00 11.11 C ATOM 1882 O PHE A 115 12.881 -10.935 0.677 1.00 31.32 O ATOM 1883 CB PHE A 115 14.693 -13.018 1.833 1.00 71.51 C ATOM 1884 CG PHE A 115 15.956 -13.581 2.487 1.00 65.42 C ATOM 1885 CD1 PHE A 115 15.854 -14.489 3.494 1.00 22.40 C ATOM 1886 CD2 PHE A 115 17.182 -13.174 2.061 1.00 50.34 C ATOM 1887 CE1 PHE A 115 17.027 -15.012 4.101 1.00 50.13 C ATOM 1888 CE2 PHE A 115 18.355 -13.696 2.667 1.00 33.13 C ATOM 1889 CZ PHE A 115 18.252 -14.604 3.675 1.00 65.25 C ATOM 0 H PHE A 115 13.567 -13.180 4.026 1.00 44.51 H new ATOM 0 HA PHE A 115 14.806 -10.956 2.546 1.00 61.00 H new ATOM 0 HB2 PHE A 115 13.935 -13.800 1.798 1.00 71.51 H new ATOM 0 HB3 PHE A 115 14.920 -12.748 0.802 1.00 71.51 H new ATOM 0 HD1 PHE A 115 14.881 -14.813 3.832 1.00 22.40 H new ATOM 0 HD2 PHE A 115 17.263 -12.453 1.261 1.00 50.34 H new ATOM 0 HE1 PHE A 115 16.946 -15.733 4.901 1.00 50.13 H new ATOM 0 HE2 PHE A 115 19.328 -13.373 2.328 1.00 33.13 H new ATOM 0 HZ PHE A 115 19.144 -15.001 4.137 1.00 65.25 H new ATOM 1899 N GLY A 116 11.724 -11.476 2.544 1.00 43.21 N ATOM 1900 CA GLY A 116 10.436 -11.097 1.989 1.00 33.03 C ATOM 1901 C GLY A 116 9.581 -12.332 1.696 1.00 14.53 C ATOM 1902 O GLY A 116 9.367 -13.166 2.574 1.00 3.14 O ATOM 0 H GLY A 116 11.690 -11.828 3.501 1.00 43.21 H new ATOM 0 HA2 GLY A 116 9.912 -10.445 2.688 1.00 33.03 H new ATOM 0 HA3 GLY A 116 10.585 -10.527 1.072 1.00 33.03 H new TER 1906 GLY A 116