USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 584 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 101 SER OG : rot 116:sc= 1.02 USER MOD Set 1.2: A 103 TYR OH : rot 99:sc= 0.863 USER MOD Set 2.1: A 62 SER OG : rot -146:sc= 0.988 USER MOD Set 2.2: A 77 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0) USER MOD Set 3.1: A 50 ASN : amide:sc= 1.52 K(o=1.9,f=-9.1!) USER MOD Set 3.2: A 107 SER OG : rot -165:sc= 0.373 USER MOD Single : A 38 GLN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.04) USER MOD Single : A 43 SER OG : rot -50:sc= 1.08 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.928 K(o=0.93,f=-9.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -142:sc= 0.866 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.17 K(o=-1.2,f=-5!) USER MOD Single : A 73 SER OG : rot -150:sc= 0.528 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.414 K(o=0.41,f=-0.87) USER MOD Single : A 90 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.11) USER MOD Single : A 91 GLN : amide:sc= -0.0388 X(o=-0.039,f=-0.048) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= 1.2 (180deg=1.15) USER MOD Single : A 102 TYR OH : rot 90:sc= 0.679 USER MOD Single : A 104 THR OG1 : rot 136:sc= 1.27 USER MOD Single : A 108 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.4) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc=-0.00561 X(o=-0.0056,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 38 0.537 0.625 4.634 1.00 0.00 N0 ATOM 2 CA GLN A 38 1.848 0.623 3.996 1.00 0.00 C0 ATOM 3 C GLN A 38 2.388 2.039 3.842 1.00 0.00 C0 ATOM 4 O GLN A 38 1.797 2.867 3.149 1.00 0.00 O0 ATOM 5 CB GLN A 38 1.776 -0.061 2.628 1.00 0.00 C0 ATOM 6 CG GLN A 38 3.080 -0.028 1.847 1.00 0.00 C0 ATOM 7 CD GLN A 38 4.168 -0.859 2.502 1.00 0.00 C0 ATOM 8 OE1 GLN A 38 4.014 -2.068 2.693 1.00 0.00 O0 ATOM 9 NE2 GLN A 38 5.275 -0.213 2.852 1.00 0.00 N0 ATOM 0 HA GLN A 38 2.530 0.065 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 38 1.476 -1.099 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.998 0.419 2.035 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.904 -0.396 0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.420 1.004 1.756 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.359 0.788 2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.041 -0.718 3.298 1.00 0.00 H new ATOM 18 N ALA A 39 3.514 2.312 4.493 1.00 0.00 N0 ATOM 19 CA ALA A 39 4.172 3.607 4.376 1.00 0.00 C0 ATOM 20 C ALA A 39 4.877 3.748 3.033 1.00 0.00 C0 ATOM 21 O ALA A 39 5.331 2.762 2.453 1.00 0.00 O0 ATOM 22 CB ALA A 39 5.162 3.803 5.516 1.00 0.00 C0 ATOM 0 H ALA A 39 3.990 1.652 5.108 1.00 0.00 H new ATOM 0 HA ALA A 39 3.406 4.380 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.646 4.775 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.634 3.758 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.916 3.017 5.482 1.00 0.00 H new ATOM 28 N PRO A 40 4.964 4.979 2.544 1.00 0.00 N0 ATOM 29 CA PRO A 40 5.672 5.262 1.302 1.00 0.00 C0 ATOM 30 C PRO A 40 7.095 4.721 1.344 1.00 0.00 C0 ATOM 31 O PRO A 40 7.745 4.734 2.389 1.00 0.00 O0 ATOM 32 CB PRO A 40 5.654 6.793 1.233 1.00 0.00 C0 ATOM 33 CG PRO A 40 4.429 7.177 1.993 1.00 0.00 C0 ATOM 34 CD PRO A 40 4.370 6.195 3.132 1.00 0.00 C0 ATOM 0 HA PRO A 40 5.216 4.793 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.551 7.223 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.610 7.145 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.492 8.203 2.356 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.538 7.114 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.934 6.544 3.997 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.347 6.024 3.467 1.00 0.00 H new ATOM 42 N LYS A 41 7.576 4.242 0.201 1.00 0.00 N0 ATOM 43 CA LYS A 41 8.883 3.602 0.127 1.00 0.00 C0 ATOM 44 C LYS A 41 9.987 4.553 0.571 1.00 0.00 C0 ATOM 45 O LYS A 41 10.187 5.609 -0.025 1.00 0.00 O0 ATOM 46 CB LYS A 41 9.158 3.107 -1.294 1.00 0.00 C0 ATOM 47 CG LYS A 41 10.477 2.364 -1.458 1.00 0.00 C0 ATOM 48 CD LYS A 41 10.430 0.999 -0.786 1.00 0.00 C0 ATOM 49 CE LYS A 41 11.744 0.252 -0.957 1.00 0.00 C0 ATOM 50 NZ LYS A 41 12.852 0.896 -0.200 1.00 0.00 N0 ATOM 0 H LYS A 41 7.078 4.286 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 41 8.874 2.748 0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.344 2.450 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.150 3.961 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.699 2.242 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.286 2.955 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.214 1.121 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.617 0.410 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.623 -0.777 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.003 0.211 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.678 0.264 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.110 1.793 -0.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.544 1.082 0.776 1.00 0.00 H new ATOM 64 N GLY A 42 10.700 4.170 1.626 1.00 0.00 N0 ATOM 65 CA GLY A 42 11.861 4.926 2.080 1.00 0.00 C0 ATOM 66 C GLY A 42 11.496 5.859 3.227 1.00 0.00 C0 ATOM 67 O GLY A 42 12.350 6.567 3.760 1.00 0.00 O0 ATOM 0 H GLY A 42 10.494 3.340 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.643 4.238 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.268 5.506 1.251 1.00 0.00 H new ATOM 71 N SER A 43 10.222 5.854 3.605 1.00 0.00 N0 ATOM 72 CA SER A 43 9.731 6.738 4.655 1.00 0.00 C0 ATOM 73 C SER A 43 9.485 5.974 5.949 1.00 0.00 C0 ATOM 74 O SER A 43 9.748 4.774 6.032 1.00 0.00 O0 ATOM 75 CB SER A 43 8.452 7.418 4.207 1.00 0.00 C0 ATOM 76 OG SER A 43 7.379 6.519 4.208 1.00 0.00 O0 ATOM 0 H SER A 43 9.510 5.247 3.199 1.00 0.00 H new ATOM 0 HA SER A 43 10.495 7.492 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.230 8.255 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.586 7.829 3.206 1.00 0.00 H new ATOM 0 HG SER A 43 7.633 5.706 3.723 1.00 0.00 H new ATOM 82 N ALA A 44 8.978 6.674 6.957 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.656 6.053 8.236 1.00 0.00 C0 ATOM 84 C ALA A 44 7.295 6.511 8.744 1.00 0.00 C0 ATOM 85 O ALA A 44 6.824 7.595 8.397 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.735 6.364 9.263 1.00 0.00 C0 ATOM 0 H ALA A 44 8.781 7.674 6.913 1.00 0.00 H new ATOM 0 HA ALA A 44 8.614 4.974 8.084 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.480 5.893 10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.693 5.979 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.806 7.443 9.400 1.00 0.00 H new ATOM 92 N PHE A 45 6.665 5.680 9.567 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.332 5.974 10.082 1.00 0.00 C0 ATOM 94 C PHE A 45 5.276 5.799 11.594 1.00 0.00 C0 ATOM 95 O PHE A 45 5.734 4.791 12.129 1.00 0.00 O0 ATOM 96 CB PHE A 45 4.292 5.069 9.419 1.00 0.00 C0 ATOM 97 CG PHE A 45 2.884 5.330 9.876 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 2.238 6.509 9.539 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 2.205 4.396 10.644 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 0.943 6.752 9.958 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 0.909 4.635 11.062 1.00 0.00 C0 ATOM 102 CZ PHE A 45 0.279 5.813 10.720 1.00 0.00 C0 ATOM 0 H PHE A 45 7.056 4.796 9.892 1.00 0.00 H new ATOM 0 HA PHE A 45 5.106 7.014 9.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.344 5.202 8.338 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.544 4.029 9.625 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.753 7.247 8.942 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.693 3.473 10.918 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.452 7.676 9.689 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.390 3.898 11.657 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.733 6.000 11.048 1.00 0.00 H new ATOM 112 N VAL A 46 4.712 6.790 12.278 1.00 0.00 N0 ATOM 113 CA VAL A 46 4.683 6.794 13.735 1.00 0.00 C0 ATOM 114 C VAL A 46 3.254 6.808 14.259 1.00 0.00 C0 ATOM 115 O VAL A 46 2.450 7.660 13.879 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.437 8.023 14.280 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 5.409 8.034 15.801 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 6.869 8.022 13.766 1.00 0.00 C0 ATOM 0 H VAL A 46 4.269 7.601 11.845 1.00 0.00 H new ATOM 0 HA VAL A 46 5.171 5.882 14.078 1.00 0.00 H new ATOM 0 HB VAL A 46 4.941 8.927 13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.946 8.908 16.168 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.376 8.071 16.146 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.885 7.130 16.180 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.396 8.893 14.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.374 7.115 14.098 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.865 8.057 12.677 1.00 0.00 H new ATOM 128 N ARG A 47 2.941 5.857 15.134 1.00 0.00 N0 ATOM 129 CA ARG A 47 1.679 5.873 15.863 1.00 0.00 C0 ATOM 130 C ARG A 47 1.865 6.418 17.275 1.00 0.00 C0 ATOM 131 O ARG A 47 2.982 6.726 17.690 1.00 0.00 O0 ATOM 132 CB ARG A 47 1.084 4.475 15.938 1.00 0.00 C0 ATOM 133 CG ARG A 47 0.673 3.884 14.598 1.00 0.00 C0 ATOM 134 CD ARG A 47 0.035 2.552 14.756 1.00 0.00 C0 ATOM 135 NE ARG A 47 -0.453 2.029 13.491 1.00 0.00 N0 ATOM 136 CZ ARG A 47 0.269 1.267 12.648 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 1.509 0.948 12.949 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 -0.267 0.840 11.518 1.00 0.00 N0 ATOM 0 H ARG A 47 3.545 5.065 15.355 1.00 0.00 H new ATOM 0 HA ARG A 47 0.997 6.527 15.320 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.811 3.810 16.405 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.211 4.501 16.591 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.019 4.562 14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.549 3.794 13.956 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.755 1.854 15.184 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.793 2.628 15.461 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.411 2.255 13.223 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.923 1.278 13.821 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.056 0.371 12.311 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.228 1.088 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.281 0.263 10.880 1.00 0.00 H new ATOM 152 N ALA A 48 0.764 6.533 18.008 1.00 0.00 N0 ATOM 153 CA ALA A 48 0.800 7.060 19.368 1.00 0.00 C0 ATOM 154 C ALA A 48 -0.277 6.422 20.235 1.00 0.00 C0 ATOM 155 O ALA A 48 -1.291 5.941 19.730 1.00 0.00 O0 ATOM 156 CB ALA A 48 0.639 8.573 19.353 1.00 0.00 C0 ATOM 0 H ALA A 48 -0.166 6.268 17.683 1.00 0.00 H new ATOM 0 HA ALA A 48 1.770 6.812 19.799 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.668 8.952 20.375 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.450 9.019 18.777 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.316 8.833 18.896 1.00 0.00 H new ATOM 162 N TYR A 49 -0.051 6.420 21.545 1.00 0.00 N0 ATOM 163 CA TYR A 49 -1.068 5.992 22.498 1.00 0.00 C0 ATOM 164 C TYR A 49 -0.737 6.470 23.905 1.00 0.00 C0 ATOM 165 O TYR A 49 0.279 6.082 24.481 1.00 0.00 O0 ATOM 166 CB TYR A 49 -1.215 4.468 22.475 1.00 0.00 C0 ATOM 167 CG TYR A 49 -2.257 3.944 23.438 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 -3.601 4.214 23.221 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 -1.870 3.192 24.535 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -4.553 3.733 24.101 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 -2.820 2.709 25.415 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -4.156 2.979 25.200 1.00 0.00 C0 ATOM 173 OH TYR A 49 -5.103 2.500 26.077 1.00 0.00 O0 ATOM 0 H TYR A 49 0.829 6.711 21.971 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.016 6.441 22.202 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.475 4.152 21.465 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.252 4.015 22.713 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.903 4.799 22.365 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.824 2.983 24.703 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.600 3.942 23.936 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.517 2.121 26.269 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.662 1.992 26.789 1.00 0.00 H new ATOM 183 N ASN A 50 -1.604 7.312 24.458 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.446 7.785 25.828 1.00 0.00 C0 ATOM 185 C ASN A 50 -1.631 6.652 26.827 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.748 6.176 27.040 1.00 0.00 O0 ATOM 187 CB ASN A 50 -2.415 8.917 26.117 1.00 0.00 C0 ATOM 188 CG ASN A 50 -2.216 9.516 27.482 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -1.382 9.043 28.264 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -2.964 10.546 27.783 1.00 0.00 N0 ATOM 0 H ASN A 50 -2.424 7.681 23.977 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.430 8.163 25.937 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.295 9.694 25.362 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.436 8.546 26.033 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.873 10.994 28.695 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.639 10.902 27.106 1.00 0.00 H new ATOM 197 N ALA A 51 -0.534 6.221 27.437 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.569 5.122 28.394 1.00 0.00 C0 ATOM 199 C ALA A 51 -0.011 5.550 29.746 1.00 0.00 C0 ATOM 200 O ALA A 51 0.486 4.727 30.512 1.00 0.00 O0 ATOM 201 CB ALA A 51 0.204 3.926 27.858 1.00 0.00 C0 ATOM 0 H ALA A 51 0.394 6.617 27.285 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.611 4.834 28.535 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.168 3.114 28.585 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.243 3.594 26.921 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.241 4.212 27.684 1.00 0.00 H new ATOM 207 N GLY A 52 -0.094 6.845 30.030 1.00 0.00 N0 ATOM 208 CA GLY A 52 0.407 7.386 31.289 1.00 0.00 C0 ATOM 209 C GLY A 52 -0.708 7.512 32.318 1.00 0.00 C0 ATOM 210 O GLY A 52 -1.727 6.828 32.228 1.00 0.00 O0 ATOM 0 H GLY A 52 -0.503 7.540 29.406 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.193 6.739 31.678 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.856 8.364 31.114 1.00 0.00 H new ATOM 214 N ASN A 53 -0.508 8.388 33.296 1.00 0.00 N0 ATOM 215 CA ASN A 53 -1.497 8.605 34.345 1.00 0.00 C0 ATOM 216 C ASN A 53 -2.076 10.011 34.276 1.00 0.00 C0 ATOM 217 O ASN A 53 -2.473 10.581 35.292 1.00 0.00 O0 ATOM 218 CB ASN A 53 -0.889 8.345 35.713 1.00 0.00 C0 ATOM 219 CG ASN A 53 0.231 9.292 36.037 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 0.750 9.985 35.154 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 0.612 9.339 37.287 1.00 0.00 N0 ATOM 0 H ASN A 53 0.332 8.960 33.384 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.313 7.900 34.187 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.665 8.432 36.474 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.517 7.321 35.753 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.366 9.966 37.567 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.155 8.749 37.982 1.00 0.00 H new ATOM 228 N SER A 54 -2.122 10.568 33.070 1.00 0.00 N0 ATOM 229 CA SER A 54 -2.645 11.912 32.865 1.00 0.00 C0 ATOM 230 C SER A 54 -2.975 12.161 31.399 1.00 0.00 C0 ATOM 231 O SER A 54 -2.509 11.436 30.518 1.00 0.00 O0 ATOM 232 CB SER A 54 -1.641 12.941 33.349 1.00 0.00 C0 ATOM 233 OG SER A 54 -0.498 12.945 32.540 1.00 0.00 O0 ATOM 0 H SER A 54 -1.802 10.107 32.218 1.00 0.00 H new ATOM 0 HA SER A 54 -3.566 12.005 33.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.098 13.931 33.344 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.361 12.724 34.380 1.00 0.00 H new ATOM 0 HG SER A 54 0.134 13.617 32.870 1.00 0.00 H new ATOM 239 N GLU A 55 -3.778 13.188 31.141 1.00 0.00 N0 ATOM 240 CA GLU A 55 -4.132 13.560 29.778 1.00 0.00 C0 ATOM 241 C GLU A 55 -3.081 14.475 29.166 1.00 0.00 C0 ATOM 242 O GLU A 55 -2.682 15.470 29.773 1.00 0.00 O0 ATOM 243 CB GLU A 55 -5.501 14.245 29.751 1.00 0.00 C0 ATOM 244 CG GLU A 55 -5.994 14.612 28.360 1.00 0.00 C0 ATOM 245 CD GLU A 55 -7.347 15.265 28.371 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -7.903 15.420 29.432 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -7.827 15.610 27.317 1.00 0.00 O0 ATOM 0 H GLU A 55 -4.196 13.778 31.860 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.177 12.647 29.184 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.232 13.587 30.220 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.453 15.150 30.356 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.276 15.285 27.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.036 13.712 27.746 1.00 0.00 H new ATOM 254 N LEU A 56 -2.636 14.135 27.962 1.00 0.00 N0 ATOM 255 CA LEU A 56 -1.608 14.911 27.277 1.00 0.00 C0 ATOM 256 C LEU A 56 -1.661 14.689 25.772 1.00 0.00 C0 ATOM 257 O LEU A 56 -2.257 13.722 25.298 1.00 0.00 O0 ATOM 258 CB LEU A 56 -0.220 14.536 27.809 1.00 0.00 C0 ATOM 259 CG LEU A 56 0.141 13.047 27.733 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 0.547 12.694 26.307 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 1.266 12.745 28.712 1.00 0.00 C0 ATOM 0 H LEU A 56 -2.971 13.326 27.439 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.798 15.966 27.474 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.527 15.101 27.252 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.151 14.855 28.849 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.723 12.441 28.005 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.804 11.636 26.253 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.282 12.901 25.631 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.411 13.292 26.016 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.522 11.687 28.657 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.141 13.343 28.457 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.943 12.988 29.724 1.00 0.00 H new ATOM 273 N ASP A 57 -1.033 15.588 25.023 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.000 15.485 23.569 1.00 0.00 C0 ATOM 275 C ASP A 57 0.304 14.860 23.092 1.00 0.00 C0 ATOM 276 O ASP A 57 1.352 15.031 23.714 1.00 0.00 O0 ATOM 277 CB ASP A 57 -1.174 16.867 22.930 1.00 0.00 C0 ATOM 278 CG ASP A 57 -2.557 17.459 23.168 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -3.469 16.706 23.407 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -2.684 18.658 23.108 1.00 0.00 O0 ATOM 0 H ASP A 57 -0.539 16.397 25.399 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.825 14.841 23.263 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.420 17.545 23.331 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.996 16.791 21.857 1.00 0.00 H new ATOM 285 N VAL A 58 0.233 14.134 21.981 1.00 0.00 N0 ATOM 286 CA VAL A 58 1.411 13.493 21.408 1.00 0.00 C0 ATOM 287 C VAL A 58 1.578 13.860 19.938 1.00 0.00 C0 ATOM 288 O VAL A 58 0.612 13.848 19.173 1.00 0.00 O0 ATOM 289 CB VAL A 58 1.306 11.962 21.543 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 2.515 11.288 20.913 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 1.179 11.581 23.010 1.00 0.00 C0 ATOM 0 H VAL A 58 -0.629 13.975 21.459 1.00 0.00 H new ATOM 0 HA VAL A 58 2.282 13.849 21.958 1.00 0.00 H new ATOM 0 HB VAL A 58 0.416 11.619 21.015 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.424 10.207 21.017 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.566 11.547 19.856 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.422 11.626 21.414 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.105 10.497 23.099 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.056 11.931 23.554 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.284 12.041 23.429 1.00 0.00 H new ATOM 301 N SER A 59 2.806 14.184 19.549 1.00 0.00 N0 ATOM 302 CA SER A 59 3.110 14.508 18.160 1.00 0.00 C0 ATOM 303 C SER A 59 4.568 14.221 17.834 1.00 0.00 C0 ATOM 304 O SER A 59 5.385 14.010 18.732 1.00 0.00 O0 ATOM 305 CB SER A 59 2.797 15.966 17.884 1.00 0.00 C0 ATOM 306 OG SER A 59 3.675 16.807 18.581 1.00 0.00 O0 ATOM 0 H SER A 59 3.608 14.229 20.177 1.00 0.00 H new ATOM 0 HA SER A 59 2.488 13.878 17.524 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.872 16.162 16.814 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.770 16.183 18.177 1.00 0.00 H new ATOM 0 HG SER A 59 3.456 17.742 18.387 1.00 0.00 H new ATOM 312 N VAL A 60 4.893 14.216 16.546 1.00 0.00 N0 ATOM 313 CA VAL A 60 6.270 14.033 16.103 1.00 0.00 C0 ATOM 314 C VAL A 60 6.534 14.783 14.803 1.00 0.00 C0 ATOM 315 O VAL A 60 5.778 14.662 13.840 1.00 0.00 O0 ATOM 316 CB VAL A 60 6.569 12.534 15.897 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 5.637 11.944 14.850 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 8.023 12.350 15.491 1.00 0.00 C0 ATOM 0 H VAL A 60 4.220 14.337 15.789 1.00 0.00 H new ATOM 0 HA VAL A 60 6.924 14.434 16.877 1.00 0.00 H new ATOM 0 HB VAL A 60 6.398 12.006 16.835 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.862 10.886 14.717 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.604 12.057 15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.776 12.466 13.903 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.229 11.289 15.347 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.212 12.886 14.561 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.672 12.742 16.274 1.00 0.00 H new ATOM 328 N GLY A 61 7.612 15.561 14.785 1.00 0.00 N0 ATOM 329 CA GLY A 61 7.967 16.350 13.612 1.00 0.00 C0 ATOM 330 C GLY A 61 6.895 17.385 13.299 1.00 0.00 C0 ATOM 331 O GLY A 61 6.678 18.320 14.071 1.00 0.00 O0 ATOM 0 H GLY A 61 8.255 15.661 15.571 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.920 16.850 13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.101 15.691 12.754 1.00 0.00 H new ATOM 335 N SER A 62 6.228 17.214 12.163 1.00 0.00 N0 ATOM 336 CA SER A 62 5.077 18.042 11.819 1.00 0.00 C0 ATOM 337 C SER A 62 3.792 17.226 11.810 1.00 0.00 C0 ATOM 338 O SER A 62 2.749 17.692 11.353 1.00 0.00 O0 ATOM 339 CB SER A 62 5.287 18.685 10.460 1.00 0.00 C0 ATOM 340 OG SER A 62 5.386 17.715 9.456 1.00 0.00 O0 ATOM 0 H SER A 62 6.464 16.509 11.464 1.00 0.00 H new ATOM 0 HA SER A 62 4.982 18.818 12.578 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.458 19.358 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.193 19.290 10.476 1.00 0.00 H new ATOM 0 HG SER A 62 6.012 18.020 8.767 1.00 0.00 H new ATOM 346 N THR A 63 3.873 15.999 12.318 1.00 0.00 N0 ATOM 347 CA THR A 63 2.725 15.101 12.341 1.00 0.00 C0 ATOM 348 C THR A 63 2.023 15.138 13.692 1.00 0.00 C0 ATOM 349 O THR A 63 2.620 14.826 14.723 1.00 0.00 O0 ATOM 350 CB THR A 63 3.143 13.658 12.016 1.00 0.00 C0 ATOM 351 OG1 THR A 63 3.687 13.602 10.689 1.00 0.00 O0 ATOM 352 CG2 THR A 63 1.948 12.721 12.108 1.00 0.00 C0 ATOM 0 H THR A 63 4.724 15.605 12.720 1.00 0.00 H new ATOM 0 HA THR A 63 2.031 15.447 11.575 1.00 0.00 H new ATOM 0 HB THR A 63 3.895 13.343 12.740 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.407 12.769 10.255 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.264 11.704 11.875 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.539 12.751 13.118 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.184 13.035 11.398 1.00 0.00 H new ATOM 360 N SER A 64 0.749 15.522 13.683 1.00 0.00 N0 ATOM 361 CA SER A 64 -0.081 15.452 14.878 1.00 0.00 C0 ATOM 362 C SER A 64 -0.621 14.043 15.092 1.00 0.00 C0 ATOM 363 O SER A 64 -1.285 13.484 14.219 1.00 0.00 O0 ATOM 364 CB SER A 64 -1.230 16.434 14.775 1.00 0.00 C0 ATOM 365 OG SER A 64 -2.110 16.294 15.857 1.00 0.00 O0 ATOM 0 H SER A 64 0.270 15.885 12.859 1.00 0.00 H new ATOM 0 HA SER A 64 0.541 15.713 15.734 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.841 17.452 14.747 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.768 16.273 13.841 1.00 0.00 H new ATOM 0 HG SER A 64 -2.842 16.939 15.769 1.00 0.00 H new ATOM 371 N LEU A 65 -0.336 13.475 16.259 1.00 0.00 N0 ATOM 372 CA LEU A 65 -0.740 12.107 16.564 1.00 0.00 C0 ATOM 373 C LEU A 65 -1.885 12.082 17.569 1.00 0.00 C0 ATOM 374 O LEU A 65 -2.229 13.106 18.159 1.00 0.00 O0 ATOM 375 CB LEU A 65 0.451 11.316 17.117 1.00 0.00 C0 ATOM 376 CG LEU A 65 1.701 11.282 16.227 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 2.832 10.578 16.966 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 1.374 10.572 14.922 1.00 0.00 C0 ATOM 0 H LEU A 65 0.174 13.941 17.010 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.085 11.645 15.639 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.727 11.739 18.083 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.129 10.291 17.299 1.00 0.00 H new ATOM 0 HG LEU A 65 2.022 12.297 15.995 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.720 10.554 16.334 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.056 11.117 17.886 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.530 9.559 17.207 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.261 10.547 14.289 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.051 9.553 15.133 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.576 11.107 14.407 1.00 0.00 H new ATOM 390 N ASN A 66 -2.473 10.905 17.757 1.00 0.00 N0 ATOM 391 CA ASN A 66 -3.511 10.722 18.765 1.00 0.00 C0 ATOM 392 C ASN A 66 -3.525 9.290 19.285 1.00 0.00 C0 ATOM 393 O ASN A 66 -2.762 8.443 18.821 1.00 0.00 O0 ATOM 394 CB ASN A 66 -4.869 11.102 18.209 1.00 0.00 C0 ATOM 395 CG ASN A 66 -5.289 10.227 17.061 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -5.091 9.007 17.090 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -5.864 10.826 16.047 1.00 0.00 N0 ATOM 0 H ASN A 66 -2.249 10.064 17.225 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.285 11.381 19.603 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.614 11.036 19.002 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.845 12.141 17.879 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.168 10.282 15.239 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.008 11.836 16.066 1.00 0.00 H new ATOM 404 N ASP A 67 -4.399 9.024 20.250 1.00 0.00 N0 ATOM 405 CA ASP A 67 -4.452 7.721 20.898 1.00 0.00 C0 ATOM 406 C ASP A 67 -4.873 6.634 19.917 1.00 0.00 C0 ATOM 407 O ASP A 67 -5.961 6.688 19.345 1.00 0.00 O0 ATOM 408 CB ASP A 67 -5.421 7.748 22.083 1.00 0.00 C0 ATOM 409 CG ASP A 67 -4.905 8.582 23.249 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -3.728 8.850 23.286 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -5.692 8.938 24.092 1.00 0.00 O0 ATOM 0 H ASP A 67 -5.081 9.696 20.600 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.449 7.492 21.260 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.380 8.147 21.753 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.600 6.728 22.423 1.00 0.00 H new ATOM 416 N VAL A 68 -4.004 5.647 19.727 1.00 0.00 N0 ATOM 417 CA VAL A 68 -4.337 4.478 18.922 1.00 0.00 C0 ATOM 418 C VAL A 68 -4.571 3.254 19.800 1.00 0.00 C0 ATOM 419 O VAL A 68 -3.677 2.820 20.526 1.00 0.00 O0 ATOM 420 CB VAL A 68 -3.207 4.179 17.920 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -3.527 2.928 17.113 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -2.999 5.373 17.003 1.00 0.00 C0 ATOM 0 H VAL A 68 -3.063 5.634 20.120 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.256 4.700 18.380 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.284 3.998 18.471 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.718 2.732 16.410 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.636 2.078 17.787 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.457 3.077 16.564 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.198 5.154 16.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.920 5.576 16.456 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.730 6.246 17.598 1.00 0.00 H new ATOM 432 N ALA A 69 -5.777 2.702 19.727 1.00 0.00 N0 ATOM 433 CA ALA A 69 -6.151 1.565 20.560 1.00 0.00 C0 ATOM 434 C ALA A 69 -5.270 0.355 20.266 1.00 0.00 C0 ATOM 435 O ALA A 69 -4.864 0.135 19.125 1.00 0.00 O0 ATOM 436 CB ALA A 69 -7.618 1.216 20.354 1.00 0.00 C0 ATOM 0 H ALA A 69 -6.513 3.024 19.099 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.001 1.846 21.602 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.881 0.365 20.983 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.237 2.072 20.623 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.788 0.960 19.308 1.00 0.00 H new ATOM 442 N PRO A 70 -4.984 -0.426 21.301 1.00 0.00 N0 ATOM 443 CA PRO A 70 -4.193 -1.642 21.146 1.00 0.00 C0 ATOM 444 C PRO A 70 -4.762 -2.533 20.051 1.00 0.00 C0 ATOM 445 O PRO A 70 -5.972 -2.765 19.991 1.00 0.00 O0 ATOM 446 CB PRO A 70 -4.302 -2.302 22.525 1.00 0.00 C0 ATOM 447 CG PRO A 70 -4.479 -1.157 23.464 1.00 0.00 C0 ATOM 448 CD PRO A 70 -5.368 -0.196 22.720 1.00 0.00 C0 ATOM 0 HA PRO A 70 -3.162 -1.451 20.847 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.146 -2.990 22.572 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.408 -2.878 22.763 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.936 -1.478 24.400 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.523 -0.699 23.717 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.424 -0.405 22.893 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.193 0.836 23.025 1.00 0.00 H new ATOM 456 N LEU A 71 -3.887 -3.033 19.186 1.00 0.00 N0 ATOM 457 CA LEU A 71 -4.305 -3.882 18.076 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.159 -3.106 17.079 1.00 0.00 C0 ATOM 459 O LEU A 71 -5.944 -3.691 16.334 1.00 0.00 O0 ATOM 460 CB LEU A 71 -5.092 -5.090 18.601 1.00 0.00 C0 ATOM 461 CG LEU A 71 -4.381 -5.936 19.666 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -5.298 -7.063 20.115 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -3.079 -6.482 19.097 1.00 0.00 C0 ATOM 0 H LEU A 71 -2.882 -2.865 19.232 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.408 -4.228 17.563 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.035 -4.734 19.016 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.339 -5.734 17.757 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.144 -5.320 20.533 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.793 -7.664 20.871 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.212 -6.643 20.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.548 -7.691 19.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.575 -7.083 19.854 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.294 -7.101 18.226 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.435 -5.653 18.803 1.00 0.00 H new ATOM 475 N GLY A 72 -4.998 -1.786 17.073 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.687 -0.938 16.110 1.00 0.00 C0 ATOM 477 C GLY A 72 -4.700 -0.095 15.313 1.00 0.00 C0 ATOM 478 O GLY A 72 -3.496 -0.354 15.326 1.00 0.00 O0 ATOM 0 H GLY A 72 -4.396 -1.282 17.725 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.273 -1.557 15.430 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.388 -0.286 16.632 1.00 0.00 H new ATOM 482 N SER A 73 -5.214 0.912 14.618 1.00 0.00 N0 ATOM 483 CA SER A 73 -4.378 1.792 13.809 1.00 0.00 C0 ATOM 484 C SER A 73 -5.140 3.045 13.393 1.00 0.00 C0 ATOM 485 O SER A 73 -6.363 3.027 13.266 1.00 0.00 O0 ATOM 486 CB SER A 73 -3.887 1.057 12.577 1.00 0.00 C0 ATOM 487 OG SER A 73 -3.043 1.871 11.811 1.00 0.00 O0 ATOM 0 H SER A 73 -6.208 1.140 14.598 1.00 0.00 H new ATOM 0 HA SER A 73 -3.524 2.095 14.414 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.355 0.154 12.876 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.738 0.740 11.974 1.00 0.00 H new ATOM 0 HG SER A 73 -3.117 1.621 10.866 1.00 0.00 H new ATOM 493 N SER A 74 -4.406 4.133 13.184 1.00 0.00 N0 ATOM 494 CA SER A 74 -5.003 5.385 12.733 1.00 0.00 C0 ATOM 495 C SER A 74 -4.080 6.122 11.772 1.00 0.00 C0 ATOM 496 O SER A 74 -2.863 6.147 11.962 1.00 0.00 O0 ATOM 497 CB SER A 74 -5.322 6.269 13.923 1.00 0.00 C0 ATOM 498 OG SER A 74 -5.855 7.496 13.507 1.00 0.00 O0 ATOM 0 H SER A 74 -3.396 4.173 13.320 1.00 0.00 H new ATOM 0 HA SER A 74 -5.925 5.146 12.203 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.032 5.763 14.577 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.417 6.440 14.507 1.00 0.00 H new ATOM 0 HG SER A 74 -6.055 8.049 14.291 1.00 0.00 H new ATOM 504 N ASP A 75 -4.663 6.722 10.740 1.00 0.00 N0 ATOM 505 CA ASP A 75 -3.886 7.373 9.692 1.00 0.00 C0 ATOM 506 C ASP A 75 -3.217 8.641 10.209 1.00 0.00 C0 ATOM 507 O ASP A 75 -3.872 9.498 10.804 1.00 0.00 O0 ATOM 508 CB ASP A 75 -4.776 7.710 8.495 1.00 0.00 C0 ATOM 509 CG ASP A 75 -5.246 6.474 7.739 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 -4.701 5.420 7.967 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -6.146 6.596 6.943 1.00 0.00 O0 ATOM 0 H ASP A 75 -5.673 6.771 10.607 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.109 6.677 9.376 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.645 8.270 8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.228 8.360 7.813 1.00 0.00 H new ATOM 516 N PHE A 76 -1.914 8.753 9.981 1.00 0.00 N0 ATOM 517 CA PHE A 76 -1.181 9.969 10.313 1.00 0.00 C0 ATOM 518 C PHE A 76 -0.312 10.425 9.148 1.00 0.00 C0 ATOM 519 O PHE A 76 -0.053 9.660 8.218 1.00 0.00 O0 ATOM 520 CB PHE A 76 -0.306 9.741 11.548 1.00 0.00 C0 ATOM 521 CG PHE A 76 -1.076 9.315 12.766 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 -0.854 8.074 13.344 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 -2.023 10.153 13.335 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 -1.562 7.679 14.463 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 -2.730 9.762 14.455 1.00 0.00 C0 ATOM 526 CZ PHE A 76 -2.500 8.523 15.019 1.00 0.00 C0 ATOM 0 H PHE A 76 -1.343 8.016 9.567 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.911 10.750 10.525 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.441 8.981 11.318 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.234 10.660 11.774 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.119 7.409 12.915 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.210 11.122 12.897 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.381 6.709 14.902 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.463 10.426 14.890 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.054 8.215 15.894 1.00 0.00 H new ATOM 536 N LYS A 77 0.134 11.673 9.203 1.00 0.00 N0 ATOM 537 CA LYS A 77 1.058 12.203 8.206 1.00 0.00 C0 ATOM 538 C LYS A 77 2.385 11.454 8.233 1.00 0.00 C0 ATOM 539 O LYS A 77 3.029 11.351 9.276 1.00 0.00 O0 ATOM 540 CB LYS A 77 1.294 13.696 8.431 1.00 0.00 C0 ATOM 541 CG LYS A 77 2.246 14.341 7.434 1.00 0.00 C0 ATOM 542 CD LYS A 77 2.484 15.806 7.766 1.00 0.00 C0 ATOM 543 CE LYS A 77 3.443 16.452 6.774 1.00 0.00 C0 ATOM 544 NZ LYS A 77 3.759 17.858 7.140 1.00 0.00 N0 ATOM 0 H LYS A 77 -0.129 12.340 9.929 1.00 0.00 H new ATOM 0 HA LYS A 77 0.605 12.062 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.336 14.213 8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.688 13.841 9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.196 13.806 7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.835 14.256 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.535 16.341 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.889 15.891 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.365 15.872 6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.004 16.427 5.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.317 18.297 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.875 18.389 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.307 17.872 8.024 1.00 0.00 H new ATOM 558 N PHE A 78 2.789 10.933 7.079 1.00 0.00 N0 ATOM 559 CA PHE A 78 4.041 10.197 6.969 1.00 0.00 C0 ATOM 560 C PHE A 78 5.236 11.142 6.942 1.00 0.00 C0 ATOM 561 O PHE A 78 5.162 12.236 6.383 1.00 0.00 O0 ATOM 562 CB PHE A 78 4.044 9.332 5.705 1.00 0.00 C0 ATOM 563 CG PHE A 78 3.031 8.224 5.730 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 1.764 8.410 5.198 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 3.342 6.991 6.285 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 0.831 7.390 5.221 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 2.412 5.970 6.309 1.00 0.00 C0 ATOM 568 CZ PHE A 78 1.156 6.170 5.775 1.00 0.00 C0 ATOM 0 H PHE A 78 2.266 11.008 6.206 1.00 0.00 H new ATOM 0 HA PHE A 78 4.125 9.556 7.846 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.853 9.967 4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.037 8.902 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.503 9.362 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.324 6.827 6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.153 7.549 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.668 5.016 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.428 5.372 5.791 1.00 0.00 H new ATOM 578 N LEU A 79 6.337 10.715 7.551 1.00 0.00 N0 ATOM 579 CA LEU A 79 7.529 11.548 7.654 1.00 0.00 C0 ATOM 580 C LEU A 79 8.728 10.879 6.991 1.00 0.00 C0 ATOM 581 O LEU A 79 8.915 9.669 7.104 1.00 0.00 O0 ATOM 582 CB LEU A 79 7.846 11.839 9.127 1.00 0.00 C0 ATOM 583 CG LEU A 79 6.789 12.645 9.889 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 7.183 12.742 11.357 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 6.658 14.026 9.265 1.00 0.00 C0 ATOM 0 H LEU A 79 6.428 9.795 7.982 1.00 0.00 H new ATOM 0 HA LEU A 79 7.329 12.485 7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.993 10.890 9.642 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.792 12.378 9.176 1.00 0.00 H new ATOM 0 HG LEU A 79 5.822 12.146 9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.431 13.316 11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.252 11.741 11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.149 13.239 11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.906 14.600 9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.617 14.542 9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.357 13.927 8.222 1.00 0.00 H new ATOM 597 N PRO A 80 9.534 11.676 6.298 1.00 0.00 N0 ATOM 598 CA PRO A 80 10.811 11.207 5.776 1.00 0.00 C0 ATOM 599 C PRO A 80 11.706 10.689 6.893 1.00 0.00 C0 ATOM 600 O PRO A 80 11.504 11.012 8.063 1.00 0.00 O0 ATOM 601 CB PRO A 80 11.396 12.460 5.116 1.00 0.00 C0 ATOM 602 CG PRO A 80 10.209 13.325 4.858 1.00 0.00 C0 ATOM 603 CD PRO A 80 9.308 13.087 6.040 1.00 0.00 C0 ATOM 0 HA PRO A 80 10.713 10.371 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.115 12.955 5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 80 11.919 12.216 4.192 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.492 14.375 4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.717 13.056 3.923 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.579 13.708 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.264 13.300 5.809 1.00 0.00 H new ATOM 611 N PRO A 81 12.699 9.884 6.524 1.00 0.00 N0 ATOM 612 CA PRO A 81 13.668 9.374 7.488 1.00 0.00 C0 ATOM 613 C PRO A 81 14.599 10.480 7.971 1.00 0.00 C0 ATOM 614 O PRO A 81 14.865 11.441 7.247 1.00 0.00 O0 ATOM 615 CB PRO A 81 14.425 8.312 6.683 1.00 0.00 C0 ATOM 616 CG PRO A 81 14.340 8.790 5.275 1.00 0.00 C0 ATOM 617 CD PRO A 81 12.964 9.389 5.166 1.00 0.00 C0 ATOM 0 HA PRO A 81 13.209 8.976 8.393 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.460 8.226 7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.971 7.328 6.797 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.113 9.528 5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.474 7.971 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.933 10.194 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.227 8.648 4.857 1.00 0.00 H new ATOM 625 N GLY A 82 15.089 10.339 9.198 1.00 0.00 N0 ATOM 626 CA GLY A 82 15.962 11.342 9.793 1.00 0.00 C0 ATOM 627 C GLY A 82 15.642 11.548 11.267 1.00 0.00 C0 ATOM 628 O GLY A 82 15.067 10.672 11.916 1.00 0.00 O0 ATOM 0 H GLY A 82 14.896 9.538 9.800 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.002 11.033 9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.852 12.286 9.259 1.00 0.00 H new ATOM 632 N SER A 83 16.014 12.709 11.794 1.00 0.00 N0 ATOM 633 CA SER A 83 15.795 13.019 13.202 1.00 0.00 C0 ATOM 634 C SER A 83 14.615 13.968 13.379 1.00 0.00 C0 ATOM 635 O SER A 83 14.698 15.148 13.037 1.00 0.00 O0 ATOM 636 CB SER A 83 17.044 13.633 13.802 1.00 0.00 C0 ATOM 637 OG SER A 83 16.826 14.019 15.130 1.00 0.00 O0 ATOM 0 H SER A 83 16.470 13.453 11.266 1.00 0.00 H new ATOM 0 HA SER A 83 15.566 12.088 13.720 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.863 12.915 13.758 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.347 14.499 13.213 1.00 0.00 H new ATOM 0 HG SER A 83 17.646 14.411 15.496 1.00 0.00 H new ATOM 643 N TYR A 84 13.519 13.447 13.917 1.00 0.00 N0 ATOM 644 CA TYR A 84 12.321 14.247 14.144 1.00 0.00 C0 ATOM 645 C TYR A 84 11.929 14.247 15.617 1.00 0.00 C0 ATOM 646 O TYR A 84 11.481 13.231 16.148 1.00 0.00 O0 ATOM 647 CB TYR A 84 11.164 13.734 13.287 1.00 0.00 C0 ATOM 648 CG TYR A 84 11.350 13.970 11.804 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 12.206 13.157 11.075 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 10.664 14.997 11.174 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 12.378 13.374 9.721 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 10.836 15.214 9.820 1.00 0.00 C0 ATOM 653 CZ TYR A 84 11.688 14.407 9.095 1.00 0.00 C0 ATOM 654 OH TYR A 84 11.857 14.621 7.747 1.00 0.00 O0 ATOM 0 H TYR A 84 13.435 12.472 14.205 1.00 0.00 H new ATOM 0 HA TYR A 84 12.545 15.274 13.854 1.00 0.00 H new ATOM 0 HB2 TYR A 84 11.040 12.665 13.462 1.00 0.00 H new ATOM 0 HB3 TYR A 84 10.243 14.219 13.610 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.738 12.355 11.565 1.00 0.00 H new ATOM 0 HD2 TYR A 84 9.995 15.627 11.741 1.00 0.00 H new ATOM 0 HE1 TYR A 84 13.045 12.744 9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.303 16.015 9.330 1.00 0.00 H new ATOM 0 HH TYR A 84 11.304 15.379 7.464 1.00 0.00 H new ATOM 664 N THR A 85 12.102 15.390 16.271 1.00 0.00 N0 ATOM 665 CA THR A 85 11.773 15.522 17.684 1.00 0.00 C0 ATOM 666 C THR A 85 10.279 15.341 17.922 1.00 0.00 C0 ATOM 667 O THR A 85 9.456 15.976 17.266 1.00 0.00 O0 ATOM 668 CB THR A 85 12.222 16.888 18.234 1.00 0.00 C0 ATOM 669 OG1 THR A 85 13.634 17.043 18.041 1.00 0.00 O0 ATOM 670 CG2 THR A 85 11.904 16.998 19.717 1.00 0.00 C0 ATOM 0 H THR A 85 12.469 16.240 15.843 1.00 0.00 H new ATOM 0 HA THR A 85 12.310 14.735 18.214 1.00 0.00 H new ATOM 0 HB THR A 85 11.685 17.671 17.698 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.918 17.914 18.390 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.229 17.970 20.088 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.830 16.893 19.868 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.425 16.210 20.260 1.00 0.00 H new ATOM 678 N ALA A 86 9.937 14.470 18.864 1.00 0.00 N0 ATOM 679 CA ALA A 86 8.544 14.257 19.240 1.00 0.00 C0 ATOM 680 C ALA A 86 8.214 14.960 20.553 1.00 0.00 C0 ATOM 681 O ALA A 86 9.110 15.330 21.310 1.00 0.00 O0 ATOM 682 CB ALA A 86 8.247 12.768 19.349 1.00 0.00 C0 ATOM 0 H ALA A 86 10.605 13.899 19.382 1.00 0.00 H new ATOM 0 HA ALA A 86 7.915 14.686 18.460 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.204 12.625 19.630 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.433 12.289 18.388 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.892 12.323 20.107 1.00 0.00 H new ATOM 688 N GLN A 87 6.924 15.136 20.814 1.00 0.00 N0 ATOM 689 CA GLN A 87 6.473 15.775 22.045 1.00 0.00 C0 ATOM 690 C GLN A 87 5.416 14.932 22.746 1.00 0.00 C0 ATOM 691 O GLN A 87 4.458 14.476 22.125 1.00 0.00 O0 ATOM 692 CB GLN A 87 5.920 17.171 21.751 1.00 0.00 C0 ATOM 693 CG GLN A 87 5.452 17.927 22.983 1.00 0.00 C0 ATOM 694 CD GLN A 87 4.942 19.318 22.651 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 5.211 19.852 21.571 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 4.199 19.911 23.578 1.00 0.00 N0 ATOM 0 H GLN A 87 6.172 14.845 20.190 1.00 0.00 H new ATOM 0 HA GLN A 87 7.333 15.866 22.709 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.691 17.757 21.250 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.086 17.080 21.055 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.661 17.361 23.474 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.276 18.005 23.693 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.002 19.432 24.457 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.825 20.845 23.411 1.00 0.00 H new ATOM 705 N VAL A 88 5.595 14.731 24.049 1.00 0.00 N0 ATOM 706 CA VAL A 88 4.593 14.059 24.867 1.00 0.00 C0 ATOM 707 C VAL A 88 4.252 14.876 26.103 1.00 0.00 C0 ATOM 708 O VAL A 88 4.995 14.878 27.085 1.00 0.00 O0 ATOM 709 CB VAL A 88 5.101 12.670 25.296 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 4.071 11.974 26.174 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 5.416 11.828 24.068 1.00 0.00 C0 ATOM 0 H VAL A 88 6.427 15.025 24.561 1.00 0.00 H new ATOM 0 HA VAL A 88 3.692 13.949 24.264 1.00 0.00 H new ATOM 0 HB VAL A 88 6.015 12.794 25.877 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.446 10.994 26.468 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.887 12.574 27.065 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.141 11.855 25.619 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.775 10.848 24.381 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.514 11.710 23.467 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.185 12.323 23.475 1.00 0.00 H new ATOM 721 N GLY A 89 3.120 15.571 26.053 1.00 0.00 N0 ATOM 722 CA GLY A 89 2.734 16.485 27.122 1.00 0.00 C0 ATOM 723 C GLY A 89 3.670 17.685 27.185 1.00 0.00 C0 ATOM 724 O GLY A 89 3.741 18.482 26.249 1.00 0.00 O0 ATOM 0 H GLY A 89 2.453 15.518 25.283 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.711 16.826 26.961 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.748 15.959 28.077 1.00 0.00 H new ATOM 728 N GLN A 90 4.389 17.810 28.297 1.00 0.00 N0 ATOM 729 CA GLN A 90 5.363 18.882 28.464 1.00 0.00 C0 ATOM 730 C GLN A 90 6.778 18.387 28.192 1.00 0.00 C0 ATOM 731 O GLN A 90 7.743 19.145 28.308 1.00 0.00 O0 ATOM 732 CB GLN A 90 5.275 19.470 29.874 1.00 0.00 C0 ATOM 733 CG GLN A 90 3.929 20.089 30.210 1.00 0.00 C0 ATOM 734 CD GLN A 90 3.580 21.247 29.296 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 4.383 22.163 29.097 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 2.378 21.216 28.732 1.00 0.00 N0 ATOM 0 H GLN A 90 4.315 17.181 29.096 1.00 0.00 H new ATOM 0 HA GLN A 90 5.129 19.662 27.739 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.491 18.684 30.597 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.049 20.229 29.988 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.154 19.326 30.138 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.940 20.436 31.243 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.745 20.440 28.924 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.088 21.968 28.107 1.00 0.00 H new ATOM 745 N GLN A 91 6.896 17.114 27.832 1.00 0.00 N0 ATOM 746 CA GLN A 91 8.196 16.509 27.574 1.00 0.00 C0 ATOM 747 C GLN A 91 8.417 16.292 26.083 1.00 0.00 C0 ATOM 748 O GLN A 91 7.500 16.458 25.280 1.00 0.00 O0 ATOM 749 CB GLN A 91 8.326 15.179 28.321 1.00 0.00 C0 ATOM 750 CG GLN A 91 8.186 15.295 29.828 1.00 0.00 C0 ATOM 751 CD GLN A 91 9.302 16.115 30.451 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 10.485 15.833 30.249 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 8.928 17.136 31.213 1.00 0.00 N0 ATOM 0 H GLN A 91 6.105 16.481 27.712 1.00 0.00 H new ATOM 0 HA GLN A 91 8.960 17.197 27.936 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.567 14.491 27.949 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.296 14.739 28.090 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.226 15.752 30.067 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.182 14.298 30.268 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.937 17.332 31.352 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.632 17.724 31.659 1.00 0.00 H new ATOM 762 N SER A 92 9.641 15.920 25.719 1.00 0.00 N0 ATOM 763 CA SER A 92 9.988 15.694 24.322 1.00 0.00 C0 ATOM 764 C SER A 92 10.972 14.539 24.178 1.00 0.00 C0 ATOM 765 O SER A 92 11.685 14.199 25.122 1.00 0.00 O0 ATOM 766 CB SER A 92 10.583 16.954 23.721 1.00 0.00 C0 ATOM 767 OG SER A 92 11.803 17.271 24.332 1.00 0.00 O0 ATOM 0 H SER A 92 10.409 15.769 26.374 1.00 0.00 H new ATOM 0 HA SER A 92 9.075 15.434 23.787 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.733 16.815 22.650 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.886 17.783 23.840 1.00 0.00 H new ATOM 0 HG SER A 92 12.169 18.085 23.928 1.00 0.00 H new ATOM 773 N LEU A 93 11.005 13.942 22.991 1.00 0.00 N0 ATOM 774 CA LEU A 93 11.873 12.799 22.735 1.00 0.00 C0 ATOM 775 C LEU A 93 12.216 12.690 21.253 1.00 0.00 C0 ATOM 776 O LEU A 93 11.344 12.438 20.421 1.00 0.00 O0 ATOM 777 CB LEU A 93 11.198 11.505 23.206 1.00 0.00 C0 ATOM 778 CG LEU A 93 12.003 10.218 22.986 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 13.265 10.255 23.840 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 11.141 9.014 23.338 1.00 0.00 C0 ATOM 0 H LEU A 93 10.441 14.231 22.192 1.00 0.00 H new ATOM 0 HA LEU A 93 12.797 12.949 23.293 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.979 11.597 24.270 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.242 11.407 22.691 1.00 0.00 H new ATOM 0 HG LEU A 93 12.298 10.137 21.940 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.837 9.340 23.684 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.871 11.115 23.556 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.990 10.336 24.892 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.713 8.099 23.182 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.836 9.078 24.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.256 9.002 22.702 1.00 0.00 H new ATOM 792 N PRO A 94 13.491 12.883 20.932 1.00 0.00 N0 ATOM 793 CA PRO A 94 13.969 12.716 19.565 1.00 0.00 C0 ATOM 794 C PRO A 94 13.621 11.336 19.023 1.00 0.00 C0 ATOM 795 O PRO A 94 13.956 10.317 19.629 1.00 0.00 O0 ATOM 796 CB PRO A 94 15.483 12.901 19.704 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.636 13.767 20.907 1.00 0.00 C0 ATOM 798 CD PRO A 94 14.572 13.282 21.856 1.00 0.00 C0 ATOM 0 HA PRO A 94 13.518 13.417 18.862 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.991 11.945 19.834 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.910 13.371 18.818 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.631 13.670 21.342 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.498 14.819 20.659 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.918 12.446 22.463 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.252 14.065 22.544 1.00 0.00 H new ATOM 806 N VAL A 95 12.945 11.306 17.880 1.00 0.00 N0 ATOM 807 CA VAL A 95 12.598 10.051 17.225 1.00 0.00 C0 ATOM 808 C VAL A 95 13.429 9.837 15.966 1.00 0.00 C0 ATOM 809 O VAL A 95 13.323 10.600 15.005 1.00 0.00 O0 ATOM 810 CB VAL A 95 11.103 10.033 16.860 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 10.748 8.749 16.126 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 10.261 10.185 18.118 1.00 0.00 C0 ATOM 0 H VAL A 95 12.626 12.140 17.387 1.00 0.00 H new ATOM 0 HA VAL A 95 12.812 9.243 17.925 1.00 0.00 H new ATOM 0 HB VAL A 95 10.892 10.871 16.195 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.687 8.754 15.876 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.336 8.679 15.211 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.966 7.893 16.764 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.204 10.171 17.852 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.474 9.362 18.800 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.501 11.131 18.604 1.00 0.00 H new ATOM 822 N LYS A 96 14.255 8.796 15.976 1.00 0.00 N0 ATOM 823 CA LYS A 96 15.031 8.422 14.800 1.00 0.00 C0 ATOM 824 C LYS A 96 14.188 7.618 13.819 1.00 0.00 C0 ATOM 825 O LYS A 96 13.731 6.519 14.133 1.00 0.00 O0 ATOM 826 CB LYS A 96 16.269 7.622 15.208 1.00 0.00 C0 ATOM 827 CG LYS A 96 17.191 7.258 14.051 1.00 0.00 C0 ATOM 828 CD LYS A 96 18.487 6.641 14.551 1.00 0.00 C0 ATOM 829 CE LYS A 96 19.451 6.368 13.404 1.00 0.00 C0 ATOM 830 NZ LYS A 96 19.038 5.185 12.601 1.00 0.00 N0 ATOM 0 H LYS A 96 14.404 8.196 16.787 1.00 0.00 H new ATOM 0 HA LYS A 96 15.350 9.339 14.304 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.834 8.199 15.940 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.948 6.706 15.703 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.685 6.558 13.386 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.413 8.150 13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.957 7.311 15.271 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.270 5.710 15.075 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.504 7.244 12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 96 20.452 6.205 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.793 4.941 11.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 18.864 4.379 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.168 5.408 12.077 1.00 0.00 H new ATOM 844 N LEU A 97 13.984 8.172 12.628 1.00 0.00 N0 ATOM 845 CA LEU A 97 13.167 7.525 11.611 1.00 0.00 C0 ATOM 846 C LEU A 97 14.032 6.885 10.532 1.00 0.00 C0 ATOM 847 O LEU A 97 14.736 7.577 9.798 1.00 0.00 O0 ATOM 848 CB LEU A 97 12.211 8.541 10.972 1.00 0.00 C0 ATOM 849 CG LEU A 97 11.216 9.211 11.929 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 10.309 10.150 11.143 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 10.407 8.145 12.650 1.00 0.00 C0 ATOM 0 H LEU A 97 14.375 9.070 12.344 1.00 0.00 H new ATOM 0 HA LEU A 97 12.589 6.740 12.098 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.805 9.319 10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.648 8.038 10.186 1.00 0.00 H new ATOM 0 HG LEU A 97 11.753 9.796 12.675 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.602 10.626 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.913 10.914 10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.762 9.582 10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.701 8.622 13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.861 7.547 11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.078 7.501 13.218 1.00 0.00 H new ATOM 863 N ASP A 98 13.974 5.561 10.445 1.00 0.00 N0 ATOM 864 CA ASP A 98 14.682 4.831 9.399 1.00 0.00 C0 ATOM 865 C ASP A 98 13.771 4.551 8.210 1.00 0.00 C0 ATOM 866 O ASP A 98 12.561 4.393 8.368 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.236 3.514 9.944 1.00 0.00 C0 ATOM 868 CG ASP A 98 16.341 3.717 10.974 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 16.885 4.794 11.028 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 16.628 2.793 11.699 1.00 0.00 O0 ATOM 0 H ASP A 98 13.444 4.971 11.086 1.00 0.00 H new ATOM 0 HA ASP A 98 15.509 5.456 9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 98 14.425 2.944 10.396 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.622 2.918 9.117 1.00 0.00 H new ATOM 875 N PRO A 99 14.361 4.493 7.021 1.00 0.00 N0 ATOM 876 CA PRO A 99 13.613 4.177 5.810 1.00 0.00 C0 ATOM 877 C PRO A 99 12.852 2.866 5.955 1.00 0.00 C0 ATOM 878 O PRO A 99 13.405 1.865 6.412 1.00 0.00 O0 ATOM 879 CB PRO A 99 14.710 4.081 4.743 1.00 0.00 C0 ATOM 880 CG PRO A 99 15.793 4.970 5.250 1.00 0.00 C0 ATOM 881 CD PRO A 99 15.789 4.753 6.738 1.00 0.00 C0 ATOM 0 HA PRO A 99 12.850 4.917 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.060 3.056 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.348 4.410 3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.757 4.710 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.600 6.013 5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.419 3.912 7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.157 5.627 7.276 1.00 0.00 H new ATOM 889 N ASP A 100 11.583 2.877 5.564 1.00 0.00 N0 ATOM 890 CA ASP A 100 10.756 1.677 5.611 1.00 0.00 C0 ATOM 891 C ASP A 100 10.726 1.083 7.013 1.00 0.00 C0 ATOM 892 O ASP A 100 11.139 -0.057 7.223 1.00 0.00 O0 ATOM 893 CB ASP A 100 11.271 0.634 4.619 1.00 0.00 C0 ATOM 894 CG ASP A 100 11.218 1.113 3.173 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 10.244 1.726 2.807 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 12.153 0.863 2.451 1.00 0.00 O0 ATOM 0 H ASP A 100 11.104 3.705 5.210 1.00 0.00 H new ATOM 0 HA ASP A 100 9.741 1.963 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.299 0.375 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.679 -0.276 4.717 1.00 0.00 H new ATOM 901 N SER A 101 10.237 1.862 7.969 1.00 0.00 N0 ATOM 902 CA SER A 101 10.119 1.402 9.350 1.00 0.00 C0 ATOM 903 C SER A 101 8.905 2.018 10.035 1.00 0.00 C0 ATOM 904 O SER A 101 8.383 3.040 9.591 1.00 0.00 O0 ATOM 905 CB SER A 101 11.377 1.744 10.123 1.00 0.00 C0 ATOM 906 OG SER A 101 11.490 3.128 10.311 1.00 0.00 O0 ATOM 0 H SER A 101 9.915 2.817 7.815 1.00 0.00 H new ATOM 0 HA SER A 101 9.988 0.320 9.334 1.00 0.00 H new ATOM 0 HB2 SER A 101 11.361 1.242 11.090 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.250 1.374 9.586 1.00 0.00 H new ATOM 0 HG SER A 101 11.449 3.333 11.269 1.00 0.00 H new ATOM 912 N TYR A 102 8.464 1.390 11.120 1.00 0.00 N0 ATOM 913 CA TYR A 102 7.285 1.850 11.844 1.00 0.00 C0 ATOM 914 C TYR A 102 7.577 2.000 13.332 1.00 0.00 C0 ATOM 915 O TYR A 102 8.321 1.210 13.910 1.00 0.00 O0 ATOM 916 CB TYR A 102 6.115 0.890 11.626 1.00 0.00 C0 ATOM 917 CG TYR A 102 5.732 0.714 10.174 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 6.438 -0.172 9.372 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 4.673 1.436 9.642 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 6.089 -0.333 8.047 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 4.325 1.275 8.316 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.027 0.394 7.519 1.00 0.00 C0 ATOM 923 OH TYR A 102 4.680 0.234 6.197 1.00 0.00 O0 ATOM 0 H TYR A 102 8.906 0.561 11.517 1.00 0.00 H new ATOM 0 HA TYR A 102 7.012 2.830 11.453 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.373 -0.083 12.045 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.249 1.256 12.179 1.00 0.00 H new ATOM 0 HD1 TYR A 102 7.261 -0.736 9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.121 2.124 10.265 1.00 0.00 H new ATOM 0 HE1 TYR A 102 6.638 -1.021 7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.502 1.839 7.902 1.00 0.00 H new ATOM 0 HH TYR A 102 4.017 -0.483 6.117 1.00 0.00 H new ATOM 933 N TYR A 103 6.985 3.018 13.945 1.00 0.00 N0 ATOM 934 CA TYR A 103 7.215 3.302 15.357 1.00 0.00 C0 ATOM 935 C TYR A 103 5.904 3.538 16.094 1.00 0.00 C0 ATOM 936 O TYR A 103 4.904 3.931 15.492 1.00 0.00 O0 ATOM 937 CB TYR A 103 8.138 4.513 15.516 1.00 0.00 C0 ATOM 938 CG TYR A 103 9.453 4.379 14.780 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 9.551 4.786 13.457 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 10.559 3.850 15.427 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 10.753 4.663 12.785 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 11.761 3.729 14.756 1.00 0.00 C0 ATOM 943 CZ TYR A 103 11.858 4.132 13.439 1.00 0.00 C0 ATOM 944 OH TYR A 103 13.055 4.011 12.770 1.00 0.00 O0 ATOM 0 H TYR A 103 6.341 3.662 13.486 1.00 0.00 H new ATOM 0 HA TYR A 103 7.698 2.430 15.798 1.00 0.00 H new ATOM 0 HB2 TYR A 103 7.620 5.402 15.157 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.340 4.668 16.576 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.689 5.198 12.953 1.00 0.00 H new ATOM 0 HD2 TYR A 103 10.481 3.532 16.456 1.00 0.00 H new ATOM 0 HE1 TYR A 103 10.833 4.979 11.755 1.00 0.00 H new ATOM 0 HE2 TYR A 103 12.623 3.320 15.261 1.00 0.00 H new ATOM 0 HH TYR A 103 13.640 4.760 13.009 1.00 0.00 H new ATOM 954 N THR A 104 5.912 3.292 17.400 1.00 0.00 N0 ATOM 955 CA THR A 104 4.794 3.671 18.257 1.00 0.00 C0 ATOM 956 C THR A 104 5.274 4.463 19.467 1.00 0.00 C0 ATOM 957 O THR A 104 6.077 3.976 20.263 1.00 0.00 O0 ATOM 958 CB THR A 104 4.013 2.431 18.727 1.00 0.00 C0 ATOM 959 OG1 THR A 104 3.537 1.703 17.588 1.00 0.00 O0 ATOM 960 CG2 THR A 104 2.832 2.841 19.592 1.00 0.00 C0 ATOM 0 H THR A 104 6.680 2.832 17.888 1.00 0.00 H new ATOM 0 HA THR A 104 4.131 4.302 17.665 1.00 0.00 H new ATOM 0 HB THR A 104 4.680 1.802 19.316 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.695 0.745 17.723 1.00 0.00 H new ATOM 0 HG21 THR A 104 2.291 1.951 19.915 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.192 3.384 20.466 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.164 3.482 19.016 1.00 0.00 H new ATOM 968 N LEU A 105 4.774 5.687 19.602 1.00 0.00 N0 ATOM 969 CA LEU A 105 5.177 6.563 20.697 1.00 0.00 C0 ATOM 970 C LEU A 105 4.097 6.635 21.768 1.00 0.00 C0 ATOM 971 O LEU A 105 3.011 7.166 21.535 1.00 0.00 O0 ATOM 972 CB LEU A 105 5.475 7.971 20.166 1.00 0.00 C0 ATOM 973 CG LEU A 105 5.856 9.015 21.224 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 7.144 8.590 21.913 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 6.010 10.374 20.563 1.00 0.00 C0 ATOM 0 H LEU A 105 4.089 6.095 18.966 1.00 0.00 H new ATOM 0 HA LEU A 105 6.079 6.147 21.145 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.287 7.902 19.442 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.597 8.330 19.628 1.00 0.00 H new ATOM 0 HG LEU A 105 5.071 9.088 21.977 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.416 9.331 22.665 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.998 7.622 22.393 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.943 8.512 21.175 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.281 11.116 21.315 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.792 10.323 19.805 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.068 10.659 20.094 1.00 0.00 H new ATOM 987 N VAL A 106 4.401 6.099 22.944 1.00 0.00 N0 ATOM 988 CA VAL A 106 3.428 6.026 24.029 1.00 0.00 C0 ATOM 989 C VAL A 106 3.886 6.837 25.235 1.00 0.00 C0 ATOM 990 O VAL A 106 5.074 7.108 25.400 1.00 0.00 O0 ATOM 991 CB VAL A 106 3.210 4.561 24.452 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 2.693 3.740 23.279 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 4.507 3.978 24.990 1.00 0.00 C0 ATOM 0 H VAL A 106 5.315 5.708 23.172 1.00 0.00 H new ATOM 0 HA VAL A 106 2.491 6.445 23.663 1.00 0.00 H new ATOM 0 HB VAL A 106 2.461 4.529 25.243 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.544 2.707 23.595 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.745 4.154 22.935 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.419 3.770 22.466 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.345 2.942 25.287 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.273 4.018 24.215 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.835 4.556 25.854 1.00 0.00 H new ATOM 1003 N SER A 107 2.932 7.222 26.078 1.00 0.00 N0 ATOM 1004 CA SER A 107 3.237 7.993 27.278 1.00 0.00 C0 ATOM 1005 C SER A 107 3.505 7.078 28.466 1.00 0.00 C0 ATOM 1006 O SER A 107 3.106 5.913 28.467 1.00 0.00 O0 ATOM 1007 CB SER A 107 2.090 8.932 27.600 1.00 0.00 C0 ATOM 1008 OG SER A 107 0.966 8.218 28.038 1.00 0.00 O0 ATOM 0 H SER A 107 1.942 7.012 25.952 1.00 0.00 H new ATOM 0 HA SER A 107 4.138 8.575 27.085 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.399 9.639 28.370 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.833 9.515 26.716 1.00 0.00 H new ATOM 0 HG SER A 107 0.177 8.799 28.008 1.00 0.00 H new ATOM 1014 N GLN A 108 4.185 7.611 29.475 1.00 0.00 N0 ATOM 1015 CA GLN A 108 4.382 6.894 30.729 1.00 0.00 C0 ATOM 1016 C GLN A 108 3.890 7.714 31.914 1.00 0.00 C0 ATOM 1017 O GLN A 108 3.816 8.941 31.847 1.00 0.00 O0 ATOM 1018 CB GLN A 108 5.859 6.540 30.917 1.00 0.00 C0 ATOM 1019 CG GLN A 108 6.419 5.620 29.845 1.00 0.00 C0 ATOM 1020 CD GLN A 108 5.862 4.212 29.942 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 5.774 3.639 31.031 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 5.482 3.646 28.801 1.00 0.00 N0 ATOM 0 H GLN A 108 4.609 8.538 29.449 1.00 0.00 H new ATOM 0 HA GLN A 108 3.799 5.974 30.682 1.00 0.00 H new ATOM 0 HB2 GLN A 108 6.443 7.460 30.932 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.987 6.066 31.890 1.00 0.00 H new ATOM 0 HG2 GLN A 108 6.191 6.031 28.862 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.505 5.585 29.931 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.573 4.157 27.923 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.099 2.700 28.803 1.00 0.00 H new ATOM 1031 N PRO A 109 3.554 7.028 33.002 1.00 0.00 N0 ATOM 1032 CA PRO A 109 3.118 7.694 34.225 1.00 0.00 C0 ATOM 1033 C PRO A 109 4.094 8.790 34.633 1.00 0.00 C0 ATOM 1034 O PRO A 109 5.296 8.555 34.739 1.00 0.00 O0 ATOM 1035 CB PRO A 109 3.089 6.554 35.247 1.00 0.00 C0 ATOM 1036 CG PRO A 109 2.775 5.344 34.437 1.00 0.00 C0 ATOM 1037 CD PRO A 109 3.541 5.542 33.154 1.00 0.00 C0 ATOM 0 HA PRO A 109 2.156 8.197 34.124 1.00 0.00 H new ATOM 0 HB2 PRO A 109 4.046 6.453 35.758 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.334 6.726 36.014 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.085 4.432 34.948 1.00 0.00 H new ATOM 0 HG3 PRO A 109 1.704 5.257 34.251 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.549 5.133 33.218 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.052 5.054 32.311 1.00 0.00 H new ATOM 1045 N GLY A 110 3.567 9.988 34.862 1.00 0.00 N0 ATOM 1046 CA GLY A 110 4.402 11.160 35.100 1.00 0.00 C0 ATOM 1047 C GLY A 110 4.437 12.068 33.877 1.00 0.00 C0 ATOM 1048 O GLY A 110 4.941 13.190 33.941 1.00 0.00 O0 ATOM 0 H GLY A 110 2.564 10.173 34.888 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.020 11.714 35.957 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.415 10.844 35.351 1.00 0.00 H new ATOM 1052 N GLY A 111 3.900 11.578 32.766 1.00 0.00 N0 ATOM 1053 CA GLY A 111 3.834 12.360 31.537 1.00 0.00 C0 ATOM 1054 C GLY A 111 5.143 12.277 30.762 1.00 0.00 C0 ATOM 1055 O GLY A 111 5.636 13.281 30.244 1.00 0.00 O0 ATOM 0 H GLY A 111 3.503 10.641 32.691 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.016 11.997 30.915 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.615 13.401 31.776 1.00 0.00 H new ATOM 1059 N LYS A 112 5.706 11.076 30.684 1.00 0.00 N0 ATOM 1060 CA LYS A 112 7.010 10.878 30.065 1.00 0.00 C0 ATOM 1061 C LYS A 112 6.881 10.156 28.729 1.00 0.00 C0 ATOM 1062 O LYS A 112 6.012 9.302 28.556 1.00 0.00 O0 ATOM 1063 CB LYS A 112 7.934 10.095 30.998 1.00 0.00 C0 ATOM 1064 CG LYS A 112 8.265 10.811 32.303 1.00 0.00 C0 ATOM 1065 CD LYS A 112 9.181 9.969 33.177 1.00 0.00 C0 ATOM 1066 CE LYS A 112 9.492 10.673 34.490 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 10.380 9.856 35.363 1.00 0.00 N0 ATOM 0 H LYS A 112 5.277 10.223 31.043 1.00 0.00 H new ATOM 0 HA LYS A 112 7.444 11.861 29.882 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.468 9.137 31.231 1.00 0.00 H new ATOM 0 HB3 LYS A 112 8.863 9.878 30.471 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.743 11.766 32.085 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.344 11.031 32.843 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.710 9.007 33.380 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.109 9.764 32.643 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.968 11.632 34.284 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.562 10.886 35.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.567 10.371 36.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.915 8.952 35.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.278 9.674 34.871 1.00 0.00 H new ATOM 1081 N PRO A 113 7.751 10.505 27.789 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.729 9.898 26.462 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.350 8.507 26.481 1.00 0.00 C0 ATOM 1084 O PRO A 113 9.204 8.209 27.317 1.00 0.00 O0 ATOM 1085 CB PRO A 113 8.558 10.875 25.622 1.00 0.00 C0 ATOM 1086 CG PRO A 113 9.547 11.438 26.588 1.00 0.00 C0 ATOM 1087 CD PRO A 113 8.778 11.573 27.875 1.00 0.00 C0 ATOM 0 HA PRO A 113 6.722 9.751 26.072 1.00 0.00 H new ATOM 0 HB2 PRO A 113 9.054 10.368 24.794 1.00 0.00 H new ATOM 0 HB3 PRO A 113 7.934 11.657 25.189 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.407 10.779 26.706 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.928 12.402 26.250 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.424 11.438 28.743 1.00 0.00 H new ATOM 0 HD3 PRO A 113 8.323 12.559 27.967 1.00 0.00 H new ATOM 1095 N GLN A 114 7.916 7.658 25.557 1.00 0.00 N0 ATOM 1096 CA GLN A 114 8.499 6.332 25.399 1.00 0.00 C0 ATOM 1097 C GLN A 114 8.378 5.844 23.960 1.00 0.00 C0 ATOM 1098 O GLN A 114 7.290 5.499 23.503 1.00 0.00 O0 ATOM 1099 CB GLN A 114 7.832 5.334 26.348 1.00 0.00 C0 ATOM 1100 CG GLN A 114 8.344 3.911 26.218 1.00 0.00 C0 ATOM 1101 CD GLN A 114 9.805 3.784 26.615 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 10.183 4.095 27.748 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 10.631 3.326 25.684 1.00 0.00 N0 ATOM 0 H GLN A 114 7.160 7.866 24.904 1.00 0.00 H new ATOM 0 HA GLN A 114 9.558 6.404 25.648 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.983 5.670 27.374 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.757 5.339 26.165 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.742 3.252 26.843 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.219 3.575 25.189 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.273 3.081 24.761 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.624 3.218 25.891 1.00 0.00 H new ATOM 1112 N LEU A 115 9.501 5.818 23.253 1.00 0.00 N0 ATOM 1113 CA LEU A 115 9.514 5.421 21.850 1.00 0.00 C0 ATOM 1114 C LEU A 115 9.792 3.929 21.702 1.00 0.00 C0 ATOM 1115 O LEU A 115 10.844 3.440 22.108 1.00 0.00 O0 ATOM 1116 CB LEU A 115 10.575 6.221 21.082 1.00 0.00 C0 ATOM 1117 CG LEU A 115 10.720 5.877 19.595 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 9.442 6.251 18.859 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 11.920 6.615 19.018 1.00 0.00 C0 ATOM 0 H LEU A 115 10.416 6.067 23.629 1.00 0.00 H new ATOM 0 HA LEU A 115 8.529 5.632 21.434 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.338 7.281 21.169 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.539 6.069 21.567 1.00 0.00 H new ATOM 0 HG LEU A 115 10.884 4.806 19.475 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.546 6.006 17.802 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.604 5.695 19.280 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.259 7.320 18.967 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.023 6.371 17.961 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.774 7.689 19.130 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.822 6.314 19.550 1.00 0.00 H new ATOM 1131 N VAL A 116 8.837 3.212 21.118 1.00 0.00 N0 ATOM 1132 CA VAL A 116 9.005 1.790 20.851 1.00 0.00 C0 ATOM 1133 C VAL A 116 8.850 1.485 19.366 1.00 0.00 C0 ATOM 1134 O VAL A 116 7.764 1.624 18.805 1.00 0.00 O0 ATOM 1135 CB VAL A 116 7.974 0.970 21.651 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 8.138 -0.516 21.368 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 8.127 1.255 23.138 1.00 0.00 C0 ATOM 0 H VAL A 116 7.939 3.594 20.821 1.00 0.00 H new ATOM 0 HA VAL A 116 10.013 1.512 21.160 1.00 0.00 H new ATOM 0 HB VAL A 116 6.972 1.264 21.340 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.402 -1.079 21.942 1.00 0.00 H new ATOM 0 HG12 VAL A 116 7.989 -0.702 20.304 1.00 0.00 H new ATOM 0 HG13 VAL A 116 9.141 -0.833 21.655 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.395 0.672 23.697 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.132 0.981 23.460 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.964 2.317 23.324 1.00 0.00 H new ATOM 1147 N ALA A 117 9.942 1.068 18.736 1.00 0.00 N0 ATOM 1148 CA ALA A 117 9.916 0.684 17.330 1.00 0.00 C0 ATOM 1149 C ALA A 117 9.079 -0.571 17.117 1.00 0.00 C0 ATOM 1150 O ALA A 117 9.270 -1.580 17.796 1.00 0.00 O0 ATOM 1151 CB ALA A 117 11.331 0.471 16.812 1.00 0.00 C0 ATOM 0 H ALA A 117 10.858 0.987 19.178 1.00 0.00 H new ATOM 0 HA ALA A 117 9.454 1.496 16.768 1.00 0.00 H new ATOM 0 HB1 ALA A 117 11.294 0.185 15.761 1.00 0.00 H new ATOM 0 HB2 ALA A 117 11.900 1.395 16.917 1.00 0.00 H new ATOM 0 HB3 ALA A 117 11.814 -0.319 17.387 1.00 0.00 H new ATOM 1157 N GLU A 118 8.152 -0.503 16.169 1.00 0.00 N0 ATOM 1158 CA GLU A 118 7.267 -1.626 15.880 1.00 0.00 C0 ATOM 1159 C GLU A 118 7.025 -1.765 14.384 1.00 0.00 C0 ATOM 1160 O GLU A 118 5.942 -1.447 13.887 1.00 0.00 O0 ATOM 1161 CB GLU A 118 5.932 -1.454 16.609 1.00 0.00 C0 ATOM 1162 CG GLU A 118 6.030 -1.529 18.127 1.00 0.00 C0 ATOM 1163 CD GLU A 118 4.695 -1.409 18.805 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 3.771 -0.946 18.180 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 4.595 -1.780 19.952 1.00 0.00 O0 ATOM 0 H GLU A 118 7.993 0.319 15.586 1.00 0.00 H new ATOM 0 HA GLU A 118 7.754 -2.534 16.234 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.502 -0.491 16.332 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.241 -2.223 16.263 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.492 -2.475 18.410 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.686 -0.735 18.484 1.00 0.00 H new ATOM 1172 N PRO A 119 8.035 -2.244 13.668 1.00 0.00 N0 ATOM 1173 CA PRO A 119 7.923 -2.462 12.230 1.00 0.00 C0 ATOM 1174 C PRO A 119 6.733 -3.355 11.901 1.00 0.00 C0 ATOM 1175 O PRO A 119 5.625 -2.892 11.869 1.00 0.00 O0 ATOM 1176 CB PRO A 119 9.251 -3.139 11.878 1.00 0.00 C0 ATOM 1177 CG PRO A 119 10.202 -2.636 12.910 1.00 0.00 C0 ATOM 1178 CD PRO A 119 9.387 -2.577 14.173 1.00 0.00 C0 ATOM 0 HA PRO A 119 7.753 -1.545 11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 119 9.165 -4.225 11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 119 9.578 -2.875 10.872 1.00 0.00 H new ATOM 0 HG2 PRO A 119 11.058 -3.302 13.020 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.594 -1.654 12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 119 9.398 -3.527 14.707 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.761 -1.819 14.862 1.00 0.00 H new TER 1186 PRO A 119