USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 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 54 SER OG : rot -114:sc= -1.98! USER MOD Set 1.2: A 56 SER OG : rot -113:sc= 0.00265 USER MOD Single : A 1 VAL N :NH3+ -105:sc= -1.67! (180deg=-2.31!) USER MOD Single : A 2 SER OG : rot 111:sc= 1.21 USER MOD Single : A 4 SER OG : rot 180:sc= -0.317 USER MOD Single : A 5 TYR OH : rot 130:sc= 0.0126 USER MOD Single : A 9 TYR OH : rot -175:sc= -0.635 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 142:sc= -1.9 (180deg=-6.58!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 137:sc= 1.22 USER MOD Single : A 22 ASN : amide:sc= -2.1 K(o=-2.1,f=0.53) USER MOD Single : A 25 HIS : no HE2:sc= -15.7! C(o=-16!,f=-24!) USER MOD Single : A 28 MET CE :methyl -162:sc= -0.989 (180deg=-1.58) USER MOD Single : A 30 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.546 K(o=-0.55,f=-2.8) USER MOD Single : A 59 THR OG1 : rot 96:sc= 0.985 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0177 K(o=-0.018,f=-1.5) USER MOD Single : A 69 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00247 USER MOD Single : A 84 ASN : amide:sc= -1.32 K(o=-1.3,f=-10!) USER MOD Single : A 86 ASN : amide:sc= -5.12 K(o=-5.1,f=-11!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 85:sc= -1.02 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 104 ASN : amide:sc= -0.16 K(o=-0.16,f=-1) USER MOD Single : A 106 ASN : amide:sc=-0.00439 K(o=-0.0044,f=-1.5!) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.061) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.911 K(o=-0.91,f=-1.7!) USER MOD Single : A 117 ASN : amide:sc= -0.436 K(o=-0.44,f=-1.8!) USER MOD Single : A 120 ASN : amide:sc= -0.0556 K(o=-0.056,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.136 -3.544 14.179 1.00 0.00 N ATOM 2 CA VAL A 1 90.848 -3.835 12.743 1.00 0.00 C ATOM 3 C VAL A 1 92.066 -4.480 12.079 1.00 0.00 C ATOM 4 O VAL A 1 93.200 -4.199 12.436 1.00 0.00 O ATOM 5 CB VAL A 1 90.544 -2.476 12.096 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.280 -1.890 12.727 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.714 -1.516 12.314 1.00 0.00 C ATOM 0 H1 VAL A 1 90.646 -4.238 14.779 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.161 -3.604 14.347 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.802 -2.587 14.413 1.00 0.00 H new ATOM 0 HA VAL A 1 90.015 -4.529 12.631 1.00 0.00 H new ATOM 0 HB VAL A 1 90.394 -2.614 11.025 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.060 -0.925 12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.443 -2.569 12.562 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.435 -1.758 13.798 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.488 -0.555 11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.875 -1.375 13.383 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.615 -1.932 11.864 1.00 0.00 H new ATOM 17 N SER A 2 91.844 -5.357 11.136 1.00 0.00 N ATOM 18 CA SER A 2 92.985 -6.033 10.457 1.00 0.00 C ATOM 19 C SER A 2 93.070 -5.622 8.983 1.00 0.00 C ATOM 20 O SER A 2 92.075 -5.519 8.290 1.00 0.00 O ATOM 21 CB SER A 2 92.693 -7.526 10.579 1.00 0.00 C ATOM 22 OG SER A 2 93.678 -8.257 9.861 1.00 0.00 O ATOM 0 H SER A 2 90.919 -5.634 10.807 1.00 0.00 H new ATOM 0 HA SER A 2 93.939 -5.762 10.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 92.695 -7.824 11.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.701 -7.748 10.186 1.00 0.00 H new ATOM 0 HG SER A 2 94.250 -8.742 10.492 1.00 0.00 H new ATOM 28 N ILE A 3 94.266 -5.405 8.507 1.00 0.00 N ATOM 29 CA ILE A 3 94.470 -5.020 7.080 1.00 0.00 C ATOM 30 C ILE A 3 95.151 -6.161 6.329 1.00 0.00 C ATOM 31 O ILE A 3 95.950 -6.892 6.884 1.00 0.00 O ATOM 32 CB ILE A 3 95.377 -3.783 7.104 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.713 -4.109 7.783 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.682 -2.654 7.865 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.715 -2.996 7.482 1.00 0.00 C ATOM 0 H ILE A 3 95.123 -5.479 9.054 1.00 0.00 H new ATOM 0 HA ILE A 3 93.526 -4.811 6.577 1.00 0.00 H new ATOM 0 HB ILE A 3 95.571 -3.472 6.078 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.573 -4.207 8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.094 -5.065 7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.327 -1.776 7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.743 -2.406 7.370 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.479 -2.975 8.887 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.667 -3.223 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.862 -2.920 6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.333 -2.049 7.864 1.00 0.00 H new ATOM 47 N SER A 4 94.847 -6.311 5.072 1.00 0.00 N ATOM 48 CA SER A 4 95.473 -7.392 4.265 1.00 0.00 C ATOM 49 C SER A 4 95.653 -6.892 2.836 1.00 0.00 C ATOM 50 O SER A 4 95.428 -5.730 2.552 1.00 0.00 O ATOM 51 CB SER A 4 94.480 -8.553 4.312 1.00 0.00 C ATOM 52 OG SER A 4 93.971 -8.684 5.633 1.00 0.00 O ATOM 0 H SER A 4 94.185 -5.725 4.564 1.00 0.00 H new ATOM 0 HA SER A 4 96.451 -7.695 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.664 -8.377 3.611 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.969 -9.477 4.005 1.00 0.00 H new ATOM 0 HG SER A 4 93.333 -9.427 5.665 1.00 0.00 H new ATOM 58 N TYR A 5 96.032 -7.753 1.933 1.00 0.00 N ATOM 59 CA TYR A 5 96.198 -7.317 0.518 1.00 0.00 C ATOM 60 C TYR A 5 95.675 -8.397 -0.430 1.00 0.00 C ATOM 61 O TYR A 5 95.721 -9.574 -0.124 1.00 0.00 O ATOM 62 CB TYR A 5 97.703 -7.098 0.326 1.00 0.00 C ATOM 63 CG TYR A 5 98.464 -8.369 0.628 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.642 -9.333 -0.370 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.998 -8.579 1.906 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.353 -10.507 -0.093 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.710 -9.750 2.182 1.00 0.00 C ATOM 68 CZ TYR A 5 99.887 -10.714 1.184 1.00 0.00 C ATOM 69 OH TYR A 5 100.591 -11.869 1.459 1.00 0.00 O ATOM 0 H TYR A 5 96.233 -8.737 2.113 1.00 0.00 H new ATOM 0 HA TYR A 5 95.637 -6.408 0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.903 -6.781 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.047 -6.297 0.980 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.230 -9.171 -1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.860 -7.836 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.489 -11.252 -0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 5 100.124 -9.910 3.167 1.00 0.00 H new ATOM 0 HH TYR A 5 101.446 -11.639 1.880 1.00 0.00 H new ATOM 79 N ASP A 6 95.186 -8.007 -1.582 1.00 0.00 N ATOM 80 CA ASP A 6 94.667 -9.019 -2.553 1.00 0.00 C ATOM 81 C ASP A 6 95.336 -8.831 -3.925 1.00 0.00 C ATOM 82 O ASP A 6 95.672 -7.721 -4.291 1.00 0.00 O ATOM 83 CB ASP A 6 93.160 -8.757 -2.641 1.00 0.00 C ATOM 84 CG ASP A 6 92.402 -9.691 -1.685 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.022 -10.222 -0.777 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.208 -9.855 -1.878 1.00 0.00 O1- ATOM 0 H ASP A 6 95.124 -7.037 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 6 94.879 -10.040 -2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.949 -7.718 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.815 -8.913 -3.663 1.00 0.00 H new ATOM 91 N PRO A 7 95.516 -9.918 -4.647 1.00 0.00 N ATOM 92 CA PRO A 7 96.156 -9.841 -5.980 1.00 0.00 C ATOM 93 C PRO A 7 95.130 -9.538 -7.085 1.00 0.00 C ATOM 94 O PRO A 7 95.423 -9.688 -8.257 1.00 0.00 O ATOM 95 CB PRO A 7 96.740 -11.237 -6.167 1.00 0.00 C ATOM 96 CG PRO A 7 95.911 -12.148 -5.308 1.00 0.00 C ATOM 97 CD PRO A 7 95.161 -11.301 -4.304 1.00 0.00 C ATOM 0 HA PRO A 7 96.897 -9.044 -6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.698 -11.541 -7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.788 -11.265 -5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.213 -12.717 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.547 -12.870 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.085 -11.463 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.454 -11.544 -3.283 1.00 0.00 H new ATOM 105 N ILE A 8 93.937 -9.113 -6.734 1.00 0.00 N ATOM 106 CA ILE A 8 92.915 -8.806 -7.785 1.00 0.00 C ATOM 107 C ILE A 8 92.821 -7.303 -8.060 1.00 0.00 C ATOM 108 O ILE A 8 91.932 -6.862 -8.757 1.00 0.00 O ATOM 109 CB ILE A 8 91.584 -9.330 -7.251 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.262 -8.674 -5.897 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.678 -10.843 -7.092 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.816 -8.175 -5.900 1.00 0.00 C ATOM 0 H ILE A 8 93.630 -8.967 -5.772 1.00 0.00 H new ATOM 0 HA ILE A 8 93.187 -9.276 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 8 90.785 -9.084 -7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.408 -9.392 -5.090 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.944 -7.844 -5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.732 -11.228 -6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.892 -11.298 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.477 -11.086 -6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.589 -7.711 -4.940 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.685 -7.443 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.141 -9.015 -6.065 1.00 0.00 H new ATOM 124 N TYR A 9 93.726 -6.516 -7.541 1.00 0.00 N ATOM 125 CA TYR A 9 93.675 -5.052 -7.814 1.00 0.00 C ATOM 126 C TYR A 9 94.991 -4.583 -8.432 1.00 0.00 C ATOM 127 O TYR A 9 95.723 -3.782 -7.887 1.00 0.00 O ATOM 128 CB TYR A 9 93.370 -4.351 -6.492 1.00 0.00 C ATOM 129 CG TYR A 9 91.938 -4.612 -6.083 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.897 -4.434 -7.008 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.646 -5.025 -4.777 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.574 -4.673 -6.627 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.319 -5.263 -4.398 1.00 0.00 C ATOM 134 CZ TYR A 9 89.286 -5.087 -5.322 1.00 0.00 C ATOM 135 OH TYR A 9 87.981 -5.324 -4.948 1.00 0.00 O ATOM 0 H TYR A 9 94.494 -6.822 -6.943 1.00 0.00 H new ATOM 0 HA TYR A 9 92.895 -4.809 -8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 9 94.048 -4.708 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.538 -3.279 -6.593 1.00 0.00 H new ATOM 0 HD1 TYR A 9 91.119 -4.112 -8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.444 -5.160 -4.062 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.774 -4.538 -7.340 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.094 -5.583 -3.391 1.00 0.00 H new ATOM 0 HH TYR A 9 87.947 -5.527 -3.990 1.00 0.00 H new ATOM 145 N ALA A 10 95.227 -5.057 -9.626 1.00 0.00 N ATOM 146 CA ALA A 10 96.423 -4.655 -10.420 1.00 0.00 C ATOM 147 C ALA A 10 95.988 -3.616 -11.460 1.00 0.00 C ATOM 148 O ALA A 10 94.823 -3.284 -11.576 1.00 0.00 O ATOM 149 CB ALA A 10 96.943 -5.931 -11.083 1.00 0.00 C ATOM 0 H ALA A 10 94.620 -5.728 -10.098 1.00 0.00 H new ATOM 0 HA ALA A 10 97.208 -4.206 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.824 -5.697 -11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 10 97.208 -6.658 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 10 96.168 -6.349 -11.726 1.00 0.00 H new ATOM 155 N ALA A 11 96.938 -3.043 -12.150 1.00 0.00 N ATOM 156 CA ALA A 11 96.632 -1.946 -13.121 1.00 0.00 C ATOM 157 C ALA A 11 95.642 -2.351 -14.218 1.00 0.00 C ATOM 158 O ALA A 11 94.910 -1.507 -14.704 1.00 0.00 O ATOM 159 CB ALA A 11 97.979 -1.566 -13.738 1.00 0.00 C ATOM 0 H ALA A 11 97.925 -3.290 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 11 96.147 -1.119 -12.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.834 -0.765 -14.463 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.656 -1.228 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.408 -2.434 -14.238 1.00 0.00 H new ATOM 165 N ASP A 12 95.617 -3.591 -14.656 1.00 0.00 N ATOM 166 CA ASP A 12 94.668 -3.935 -15.762 1.00 0.00 C ATOM 167 C ASP A 12 93.302 -4.379 -15.226 1.00 0.00 C ATOM 168 O ASP A 12 92.481 -4.898 -15.960 1.00 0.00 O ATOM 169 CB ASP A 12 95.347 -5.049 -16.558 1.00 0.00 C ATOM 170 CG ASP A 12 96.554 -4.489 -17.319 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.568 -3.297 -17.589 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.446 -5.264 -17.623 1.00 0.00 O ATOM 0 H ASP A 12 96.194 -4.357 -14.307 1.00 0.00 H new ATOM 0 HA ASP A 12 94.462 -3.066 -16.387 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.668 -5.844 -15.885 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.638 -5.491 -17.258 1.00 0.00 H new ATOM 177 N LEU A 13 93.050 -4.180 -13.960 1.00 0.00 N ATOM 178 CA LEU A 13 91.738 -4.585 -13.369 1.00 0.00 C ATOM 179 C LEU A 13 90.626 -3.691 -13.904 1.00 0.00 C ATOM 180 O LEU A 13 90.637 -2.489 -13.709 1.00 0.00 O ATOM 181 CB LEU A 13 91.905 -4.366 -11.856 1.00 0.00 C ATOM 182 CG LEU A 13 90.929 -5.251 -11.063 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.482 -4.928 -11.444 1.00 0.00 C ATOM 184 CD2 LEU A 13 91.213 -6.724 -11.355 1.00 0.00 C ATOM 0 H LEU A 13 93.702 -3.751 -13.303 1.00 0.00 H new ATOM 0 HA LEU A 13 91.474 -5.614 -13.613 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.930 -4.594 -11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.730 -3.318 -11.615 1.00 0.00 H new ATOM 0 HG LEU A 13 91.068 -5.054 -10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.805 -5.564 -10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 13 89.272 -3.882 -11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 13 89.337 -5.108 -12.509 1.00 0.00 H new ATOM 0 HD21 LEU A 13 90.519 -7.347 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.088 -6.914 -12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 13 92.235 -6.963 -11.062 1.00 0.00 H new ATOM 196 N SER A 14 89.660 -4.273 -14.566 1.00 0.00 N ATOM 197 CA SER A 14 88.536 -3.459 -15.099 1.00 0.00 C ATOM 198 C SER A 14 87.697 -2.947 -13.931 1.00 0.00 C ATOM 199 O SER A 14 87.407 -3.672 -12.998 1.00 0.00 O ATOM 200 CB SER A 14 87.725 -4.398 -15.991 1.00 0.00 C ATOM 201 OG SER A 14 88.473 -4.698 -17.162 1.00 0.00 O ATOM 0 H SER A 14 89.604 -5.273 -14.758 1.00 0.00 H new ATOM 0 HA SER A 14 88.876 -2.592 -15.665 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.488 -5.315 -15.452 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.777 -3.933 -16.261 1.00 0.00 H new ATOM 0 HG SER A 14 87.956 -5.302 -17.735 1.00 0.00 H new ATOM 207 N MET A 15 87.324 -1.698 -13.973 1.00 0.00 N ATOM 208 CA MET A 15 86.515 -1.117 -12.859 1.00 0.00 C ATOM 209 C MET A 15 85.088 -1.676 -12.836 1.00 0.00 C ATOM 210 O MET A 15 84.377 -1.512 -11.863 1.00 0.00 O ATOM 211 CB MET A 15 86.506 0.392 -13.089 1.00 0.00 C ATOM 212 CG MET A 15 87.903 0.946 -12.814 1.00 0.00 C ATOM 213 SD MET A 15 87.797 2.729 -12.541 1.00 0.00 S ATOM 214 CE MET A 15 86.955 2.656 -10.940 1.00 0.00 C ATOM 0 H MET A 15 87.544 -1.052 -14.731 1.00 0.00 H new ATOM 0 HA MET A 15 86.949 -1.375 -11.893 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.208 0.615 -14.113 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.777 0.868 -12.434 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.334 0.458 -11.940 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.563 0.734 -13.655 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.344 3.438 -10.288 1.00 0.00 H new ATOM 0 HE2 MET A 15 85.885 2.803 -11.085 1.00 0.00 H new ATOM 0 HE3 MET A 15 87.129 1.682 -10.482 1.00 0.00 H new ATOM 224 N GLY A 16 84.648 -2.321 -13.889 1.00 0.00 N ATOM 225 CA GLY A 16 83.258 -2.871 -13.910 1.00 0.00 C ATOM 226 C GLY A 16 83.128 -4.047 -12.939 1.00 0.00 C ATOM 227 O GLY A 16 82.034 -4.420 -12.560 1.00 0.00 O ATOM 0 H GLY A 16 85.192 -2.490 -14.735 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.548 -2.089 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.005 -3.196 -14.919 1.00 0.00 H new ATOM 231 N SER A 17 84.225 -4.640 -12.539 1.00 0.00 N ATOM 232 CA SER A 17 84.153 -5.798 -11.601 1.00 0.00 C ATOM 233 C SER A 17 84.156 -5.340 -10.136 1.00 0.00 C ATOM 234 O SER A 17 83.938 -6.135 -9.241 1.00 0.00 O ATOM 235 CB SER A 17 85.400 -6.623 -11.904 1.00 0.00 C ATOM 236 OG SER A 17 85.339 -7.092 -13.244 1.00 0.00 O ATOM 0 H SER A 17 85.167 -4.371 -12.823 1.00 0.00 H new ATOM 0 HA SER A 17 83.232 -6.365 -11.736 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.295 -6.018 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.470 -7.465 -11.215 1.00 0.00 H new ATOM 0 HG SER A 17 86.140 -7.621 -13.442 1.00 0.00 H new ATOM 242 N VAL A 18 84.410 -4.079 -9.874 1.00 0.00 N ATOM 243 CA VAL A 18 84.435 -3.599 -8.461 1.00 0.00 C ATOM 244 C VAL A 18 83.131 -2.863 -8.120 1.00 0.00 C ATOM 245 O VAL A 18 82.328 -2.574 -8.983 1.00 0.00 O ATOM 246 CB VAL A 18 85.648 -2.660 -8.386 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.479 -1.484 -9.354 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.797 -2.124 -6.964 1.00 0.00 C ATOM 0 H VAL A 18 84.600 -3.366 -10.578 1.00 0.00 H new ATOM 0 HA VAL A 18 84.516 -4.416 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 18 86.539 -3.223 -8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.348 -0.830 -9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.387 -1.861 -10.372 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.582 -0.923 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.659 -1.458 -6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.897 -1.575 -6.686 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.941 -2.956 -6.275 1.00 0.00 H new ATOM 258 N ALA A 19 82.921 -2.568 -6.862 1.00 0.00 N ATOM 259 CA ALA A 19 81.671 -1.860 -6.440 1.00 0.00 C ATOM 260 C ALA A 19 81.553 -0.507 -7.148 1.00 0.00 C ATOM 261 O ALA A 19 80.482 -0.109 -7.557 1.00 0.00 O ATOM 262 CB ALA A 19 81.822 -1.661 -4.930 1.00 0.00 C ATOM 0 H ALA A 19 83.566 -2.788 -6.103 1.00 0.00 H new ATOM 0 HA ALA A 19 80.775 -2.426 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.943 -1.146 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.919 -2.631 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.711 -1.063 -4.729 1.00 0.00 H new ATOM 268 N CYS A 20 82.643 0.198 -7.297 1.00 0.00 N ATOM 269 CA CYS A 20 82.598 1.527 -7.990 1.00 0.00 C ATOM 270 C CYS A 20 82.487 1.289 -9.506 1.00 0.00 C ATOM 271 O CYS A 20 83.487 1.263 -10.200 1.00 0.00 O ATOM 272 CB CYS A 20 83.953 2.190 -7.640 1.00 0.00 C ATOM 273 SG CYS A 20 83.721 3.852 -6.950 1.00 0.00 S ATOM 0 H CYS A 20 83.566 -0.086 -6.969 1.00 0.00 H new ATOM 0 HA CYS A 20 81.754 2.148 -7.689 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.489 1.569 -6.923 1.00 0.00 H new ATOM 0 HB3 CYS A 20 84.572 2.250 -8.535 1.00 0.00 H new ATOM 278 N SER A 21 81.293 1.052 -10.028 1.00 0.00 N ATOM 279 CA SER A 21 81.181 0.751 -11.496 1.00 0.00 C ATOM 280 C SER A 21 80.739 1.965 -12.338 1.00 0.00 C ATOM 281 O SER A 21 81.573 2.635 -12.920 1.00 0.00 O ATOM 282 CB SER A 21 80.178 -0.414 -11.607 1.00 0.00 C ATOM 283 OG SER A 21 80.244 -1.222 -10.439 1.00 0.00 O ATOM 0 H SER A 21 80.414 1.055 -9.511 1.00 0.00 H new ATOM 0 HA SER A 21 82.158 0.489 -11.902 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.168 -0.025 -11.734 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.401 -1.015 -12.489 1.00 0.00 H new ATOM 0 HG SER A 21 79.337 -1.455 -10.151 1.00 0.00 H new ATOM 289 N ASN A 22 79.453 2.244 -12.454 1.00 0.00 N ATOM 290 CA ASN A 22 79.023 3.395 -13.311 1.00 0.00 C ATOM 291 C ASN A 22 77.815 4.141 -12.738 1.00 0.00 C ATOM 292 O ASN A 22 77.201 4.940 -13.422 1.00 0.00 O ATOM 293 CB ASN A 22 78.638 2.753 -14.641 1.00 0.00 C ATOM 294 CG ASN A 22 79.894 2.500 -15.473 1.00 0.00 C ATOM 295 OD1 ASN A 22 80.258 1.367 -15.715 1.00 0.00 O ATOM 296 ND2 ASN A 22 80.574 3.516 -15.925 1.00 0.00 N ATOM 0 H ASN A 22 78.698 1.731 -11.998 1.00 0.00 H new ATOM 0 HA ASN A 22 79.819 4.136 -13.390 1.00 0.00 H new ATOM 0 HB2 ASN A 22 78.112 1.815 -14.464 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.954 3.404 -15.186 1.00 0.00 H new ATOM 0 HD21 ASN A 22 81.413 3.360 -16.483 1.00 0.00 H new ATOM 0 HD22 ASN A 22 80.267 4.467 -15.721 1.00 0.00 H new ATOM 303 N GLY A 23 77.461 3.888 -11.512 1.00 0.00 N ATOM 304 CA GLY A 23 76.281 4.583 -10.915 1.00 0.00 C ATOM 305 C GLY A 23 76.583 6.074 -10.765 1.00 0.00 C ATOM 306 O GLY A 23 77.339 6.651 -11.521 1.00 0.00 O ATOM 0 H GLY A 23 77.935 3.230 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.405 4.441 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.045 4.150 -9.943 1.00 0.00 H new ATOM 310 N ASP A 24 76.004 6.686 -9.770 1.00 0.00 N ATOM 311 CA ASP A 24 76.248 8.140 -9.514 1.00 0.00 C ATOM 312 C ASP A 24 77.694 8.370 -9.077 1.00 0.00 C ATOM 313 O ASP A 24 78.313 9.340 -9.476 1.00 0.00 O ATOM 314 CB ASP A 24 75.295 8.502 -8.370 1.00 0.00 C ATOM 315 CG ASP A 24 75.307 10.018 -8.132 1.00 0.00 C ATOM 316 OD1 ASP A 24 76.265 10.662 -8.531 1.00 0.00 O ATOM 317 OD2 ASP A 24 74.353 10.510 -7.554 1.00 0.00 O1- ATOM 0 H ASP A 24 75.364 6.238 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 24 76.081 8.745 -10.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.284 8.172 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.593 7.981 -7.460 1.00 0.00 H new ATOM 322 N HIS A 25 78.238 7.507 -8.263 1.00 0.00 N ATOM 323 CA HIS A 25 79.644 7.707 -7.806 1.00 0.00 C ATOM 324 C HIS A 25 80.632 6.861 -8.643 1.00 0.00 C ATOM 325 O HIS A 25 81.808 6.801 -8.338 1.00 0.00 O ATOM 326 CB HIS A 25 79.631 7.281 -6.324 1.00 0.00 C ATOM 327 CG HIS A 25 79.719 5.791 -6.207 1.00 0.00 C ATOM 328 ND1 HIS A 25 80.933 5.139 -6.187 1.00 0.00 N ATOM 329 CD2 HIS A 25 78.769 4.820 -6.124 1.00 0.00 C ATOM 330 CE1 HIS A 25 80.684 3.826 -6.083 1.00 0.00 C ATOM 331 NE2 HIS A 25 79.388 3.579 -6.051 1.00 0.00 N ATOM 0 H HIS A 25 77.773 6.676 -7.896 1.00 0.00 H new ATOM 0 HA HIS A 25 79.980 8.737 -7.928 1.00 0.00 H new ATOM 0 HB2 HIS A 25 80.467 7.743 -5.799 1.00 0.00 H new ATOM 0 HB3 HIS A 25 78.719 7.636 -5.845 1.00 0.00 H new ATOM 0 HD1 HIS A 25 81.853 5.576 -6.241 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.702 4.988 -6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 25 81.449 3.065 -6.032 1.00 0.00 H new ATOM 339 N GLY A 26 80.166 6.203 -9.683 1.00 0.00 N ATOM 340 CA GLY A 26 81.084 5.360 -10.517 1.00 0.00 C ATOM 341 C GLY A 26 82.293 6.177 -10.984 1.00 0.00 C ATOM 342 O GLY A 26 82.171 7.322 -11.378 1.00 0.00 O ATOM 0 H GLY A 26 79.193 6.214 -9.988 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.421 4.500 -9.939 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.545 4.972 -11.381 1.00 0.00 H new ATOM 346 N LEU A 27 83.453 5.579 -10.951 1.00 0.00 N ATOM 347 CA LEU A 27 84.690 6.287 -11.402 1.00 0.00 C ATOM 348 C LEU A 27 85.100 5.823 -12.809 1.00 0.00 C ATOM 349 O LEU A 27 86.026 6.353 -13.394 1.00 0.00 O ATOM 350 CB LEU A 27 85.761 5.900 -10.381 1.00 0.00 C ATOM 351 CG LEU A 27 85.357 6.405 -8.997 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.359 5.900 -7.957 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.349 7.937 -8.992 1.00 0.00 C ATOM 0 H LEU A 27 83.600 4.622 -10.629 1.00 0.00 H new ATOM 0 HA LEU A 27 84.544 7.366 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.885 4.817 -10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.722 6.326 -10.668 1.00 0.00 H new ATOM 0 HG LEU A 27 84.361 6.035 -8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.071 6.260 -6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.366 4.810 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.355 6.270 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.061 8.296 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.345 8.307 -9.236 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.636 8.300 -9.732 1.00 0.00 H new ATOM 365 N MET A 28 84.424 4.837 -13.355 1.00 0.00 N ATOM 366 CA MET A 28 84.779 4.342 -14.720 1.00 0.00 C ATOM 367 C MET A 28 84.635 5.463 -15.750 1.00 0.00 C ATOM 368 O MET A 28 85.348 5.508 -16.735 1.00 0.00 O ATOM 369 CB MET A 28 83.788 3.212 -15.023 1.00 0.00 C ATOM 370 CG MET A 28 84.143 2.582 -16.372 1.00 0.00 C ATOM 371 SD MET A 28 82.985 1.243 -16.751 1.00 0.00 S ATOM 372 CE MET A 28 83.627 0.035 -15.567 1.00 0.00 C ATOM 0 H MET A 28 83.642 4.355 -12.911 1.00 0.00 H new ATOM 0 HA MET A 28 85.812 3.996 -14.764 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.824 2.459 -14.235 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.770 3.601 -15.046 1.00 0.00 H new ATOM 0 HG2 MET A 28 84.108 3.338 -17.157 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.162 2.197 -16.346 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.280 -0.962 -15.840 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.717 0.056 -15.580 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.271 0.282 -14.567 1.00 0.00 H new ATOM 382 N ALA A 29 83.692 6.347 -15.546 1.00 0.00 N ATOM 383 CA ALA A 29 83.458 7.453 -16.531 1.00 0.00 C ATOM 384 C ALA A 29 84.755 8.213 -16.852 1.00 0.00 C ATOM 385 O ALA A 29 85.299 8.081 -17.933 1.00 0.00 O ATOM 386 CB ALA A 29 82.447 8.378 -15.855 1.00 0.00 C ATOM 0 H ALA A 29 83.070 6.353 -14.737 1.00 0.00 H new ATOM 0 HA ALA A 29 83.096 7.066 -17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.223 9.216 -16.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.531 7.825 -15.646 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.865 8.753 -14.921 1.00 0.00 H new ATOM 392 N GLN A 30 85.256 9.005 -15.930 1.00 0.00 N ATOM 393 CA GLN A 30 86.520 9.765 -16.202 1.00 0.00 C ATOM 394 C GLN A 30 87.707 8.806 -16.256 1.00 0.00 C ATOM 395 O GLN A 30 88.597 8.941 -17.074 1.00 0.00 O ATOM 396 CB GLN A 30 86.679 10.719 -15.022 1.00 0.00 C ATOM 397 CG GLN A 30 85.609 11.801 -15.096 1.00 0.00 C ATOM 398 CD GLN A 30 85.602 12.610 -13.795 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.090 12.158 -12.777 1.00 0.00 O ATOM 400 NE2 GLN A 30 85.059 13.797 -13.783 1.00 0.00 N ATOM 0 H GLN A 30 84.847 9.157 -15.008 1.00 0.00 H new ATOM 0 HA GLN A 30 86.480 10.293 -17.155 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.593 10.171 -14.084 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.671 11.171 -15.037 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.801 12.459 -15.944 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.631 11.348 -15.259 1.00 0.00 H new ATOM 0 HE21 GLN A 30 84.649 14.179 -14.635 1.00 0.00 H new ATOM 0 HE22 GLN A 30 85.045 14.343 -12.921 1.00 0.00 H new ATOM 409 N TYR A 31 87.720 7.842 -15.376 1.00 0.00 N ATOM 410 CA TYR A 31 88.840 6.865 -15.340 1.00 0.00 C ATOM 411 C TYR A 31 88.291 5.439 -15.500 1.00 0.00 C ATOM 412 O TYR A 31 87.869 4.840 -14.534 1.00 0.00 O ATOM 413 CB TYR A 31 89.475 7.057 -13.963 1.00 0.00 C ATOM 414 CG TYR A 31 90.067 8.444 -13.878 1.00 0.00 C ATOM 415 CD1 TYR A 31 91.122 8.806 -14.725 1.00 0.00 C ATOM 416 CD2 TYR A 31 89.564 9.370 -12.955 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.674 10.090 -14.649 1.00 0.00 C ATOM 418 CE2 TYR A 31 90.115 10.654 -12.879 1.00 0.00 C ATOM 419 CZ TYR A 31 91.171 11.014 -13.726 1.00 0.00 C ATOM 420 OH TYR A 31 91.716 12.280 -13.650 1.00 0.00 O ATOM 0 H TYR A 31 86.995 7.690 -14.675 1.00 0.00 H new ATOM 0 HA TYR A 31 89.562 7.016 -16.142 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.727 6.919 -13.182 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.249 6.307 -13.799 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.510 8.093 -15.438 1.00 0.00 H new ATOM 0 HD2 TYR A 31 88.750 9.093 -12.301 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.488 10.368 -15.302 1.00 0.00 H new ATOM 0 HE2 TYR A 31 89.726 11.367 -12.167 1.00 0.00 H new ATOM 0 HH TYR A 31 91.251 12.796 -12.959 1.00 0.00 H new ATOM 430 N PRO A 32 88.292 4.940 -16.719 1.00 0.00 N ATOM 431 CA PRO A 32 87.761 3.575 -16.972 1.00 0.00 C ATOM 432 C PRO A 32 88.686 2.494 -16.395 1.00 0.00 C ATOM 433 O PRO A 32 88.272 1.368 -16.194 1.00 0.00 O ATOM 434 CB PRO A 32 87.709 3.486 -18.496 1.00 0.00 C ATOM 435 CG PRO A 32 88.726 4.469 -18.974 1.00 0.00 C ATOM 436 CD PRO A 32 88.776 5.576 -17.955 1.00 0.00 C ATOM 0 HA PRO A 32 86.792 3.412 -16.499 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.941 2.478 -18.841 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.716 3.731 -18.872 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.702 3.995 -19.078 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.455 4.859 -19.955 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.788 5.964 -17.835 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.145 6.416 -18.246 1.00 0.00 H new ATOM 444 N THR A 33 89.929 2.820 -16.132 1.00 0.00 N ATOM 445 CA THR A 33 90.868 1.799 -15.576 1.00 0.00 C ATOM 446 C THR A 33 91.453 2.270 -14.243 1.00 0.00 C ATOM 447 O THR A 33 91.767 3.430 -14.061 1.00 0.00 O ATOM 448 CB THR A 33 91.972 1.659 -16.621 1.00 0.00 C ATOM 449 OG1 THR A 33 91.389 1.427 -17.895 1.00 0.00 O ATOM 450 CG2 THR A 33 92.875 0.483 -16.247 1.00 0.00 C ATOM 0 H THR A 33 90.331 3.746 -16.278 1.00 0.00 H new ATOM 0 HA THR A 33 90.365 0.852 -15.381 1.00 0.00 H new ATOM 0 HB THR A 33 92.563 2.574 -16.656 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.097 1.339 -18.567 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.665 0.380 -16.991 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.320 0.663 -15.268 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.285 -0.433 -16.215 1.00 0.00 H new ATOM 458 N LEU A 34 91.595 1.362 -13.314 1.00 0.00 N ATOM 459 CA LEU A 34 92.156 1.720 -11.974 1.00 0.00 C ATOM 460 C LEU A 34 93.587 2.247 -12.120 1.00 0.00 C ATOM 461 O LEU A 34 94.460 1.547 -12.599 1.00 0.00 O ATOM 462 CB LEU A 34 92.162 0.399 -11.194 1.00 0.00 C ATOM 463 CG LEU A 34 92.719 0.620 -9.783 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.717 1.436 -8.958 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.964 -0.738 -9.108 1.00 0.00 C ATOM 0 H LEU A 34 91.345 0.379 -13.425 1.00 0.00 H new ATOM 0 HA LEU A 34 91.577 2.498 -11.477 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.150 -0.001 -11.135 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.767 -0.340 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 34 93.661 1.165 -9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.114 1.593 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.551 2.401 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.773 0.895 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.360 -0.580 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 34 92.025 -1.288 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.681 -1.312 -9.695 1.00 0.00 H new ATOM 477 N GLY A 35 93.838 3.463 -11.709 1.00 0.00 N ATOM 478 CA GLY A 35 95.223 4.018 -11.820 1.00 0.00 C ATOM 479 C GLY A 35 95.187 5.541 -11.991 1.00 0.00 C ATOM 480 O GLY A 35 96.033 6.112 -12.655 1.00 0.00 O ATOM 0 H GLY A 35 93.148 4.095 -11.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.795 3.761 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.735 3.564 -12.669 1.00 0.00 H new ATOM 484 N GLU A 36 94.230 6.207 -11.393 1.00 0.00 N ATOM 485 CA GLU A 36 94.153 7.689 -11.515 1.00 0.00 C ATOM 486 C GLU A 36 93.354 8.270 -10.346 1.00 0.00 C ATOM 487 O GLU A 36 93.771 9.229 -9.723 1.00 0.00 O ATOM 488 CB GLU A 36 93.446 7.938 -12.847 1.00 0.00 C ATOM 489 CG GLU A 36 94.458 8.444 -13.881 1.00 0.00 C ATOM 490 CD GLU A 36 94.030 8.006 -15.285 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.425 6.953 -15.399 1.00 0.00 O ATOM 492 OE2 GLU A 36 94.317 8.731 -16.222 1.00 0.00 O1- ATOM 0 H GLU A 36 93.497 5.783 -10.824 1.00 0.00 H new ATOM 0 HA GLU A 36 95.133 8.165 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 36 92.980 7.018 -13.200 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.649 8.670 -12.716 1.00 0.00 H new ATOM 0 HG2 GLU A 36 94.526 9.531 -13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.450 8.052 -13.655 1.00 0.00 H new ATOM 499 N VAL A 37 92.221 7.687 -10.026 1.00 0.00 N ATOM 500 CA VAL A 37 91.418 8.205 -8.873 1.00 0.00 C ATOM 501 C VAL A 37 92.262 8.049 -7.581 1.00 0.00 C ATOM 502 O VAL A 37 92.605 9.035 -6.960 1.00 0.00 O ATOM 503 CB VAL A 37 90.117 7.367 -8.884 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.465 7.326 -7.494 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.138 7.999 -9.878 1.00 0.00 C ATOM 0 H VAL A 37 91.822 6.882 -10.509 1.00 0.00 H new ATOM 0 HA VAL A 37 91.161 9.263 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 37 90.363 6.345 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.554 6.729 -7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.158 6.880 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.220 8.340 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.215 7.420 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.918 9.022 -9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.583 8.006 -10.873 1.00 0.00 H new ATOM 515 N PRO A 38 92.621 6.825 -7.243 1.00 0.00 N ATOM 516 CA PRO A 38 93.484 6.595 -6.056 1.00 0.00 C ATOM 517 C PRO A 38 94.929 6.974 -6.401 1.00 0.00 C ATOM 518 O PRO A 38 95.717 7.334 -5.549 1.00 0.00 O ATOM 519 CB PRO A 38 93.398 5.089 -5.832 1.00 0.00 C ATOM 520 CG PRO A 38 93.059 4.515 -7.165 1.00 0.00 C ATOM 521 CD PRO A 38 92.269 5.557 -7.907 1.00 0.00 C ATOM 0 HA PRO A 38 93.181 7.176 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.343 4.691 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.636 4.844 -5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.964 4.255 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.479 3.599 -7.054 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.531 5.576 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.198 5.361 -7.848 1.00 0.00 H new ATOM 529 N GLY A 39 95.274 6.858 -7.657 1.00 0.00 N ATOM 530 CA GLY A 39 96.654 7.163 -8.117 1.00 0.00 C ATOM 531 C GLY A 39 97.153 5.946 -8.893 1.00 0.00 C ATOM 532 O GLY A 39 97.422 6.017 -10.074 1.00 0.00 O ATOM 0 H GLY A 39 94.639 6.557 -8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.661 8.051 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.305 7.371 -7.268 1.00 0.00 H new ATOM 536 N PHE A 40 97.220 4.820 -8.214 1.00 0.00 N ATOM 537 CA PHE A 40 97.643 3.505 -8.825 1.00 0.00 C ATOM 538 C PHE A 40 97.998 2.497 -7.702 1.00 0.00 C ATOM 539 O PHE A 40 97.489 1.394 -7.700 1.00 0.00 O ATOM 540 CB PHE A 40 98.850 3.764 -9.782 1.00 0.00 C ATOM 541 CG PHE A 40 99.595 2.477 -10.111 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.894 1.278 -10.309 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.992 2.494 -10.223 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.588 0.102 -10.616 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.685 1.316 -10.531 1.00 0.00 C ATOM 546 CZ PHE A 40 100.983 0.121 -10.727 1.00 0.00 C ATOM 0 H PHE A 40 96.990 4.754 -7.222 1.00 0.00 H new ATOM 0 HA PHE A 40 96.830 3.070 -9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.492 4.223 -10.704 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.536 4.473 -9.319 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.817 1.262 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.534 3.416 -10.072 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.047 -0.820 -10.767 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.761 1.330 -10.617 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.518 -0.787 -10.964 1.00 0.00 H new ATOM 556 N PRO A 41 98.875 2.889 -6.791 1.00 0.00 N ATOM 557 CA PRO A 41 99.300 1.995 -5.696 1.00 0.00 C ATOM 558 C PRO A 41 98.593 2.345 -4.377 1.00 0.00 C ATOM 559 O PRO A 41 99.008 1.911 -3.318 1.00 0.00 O ATOM 560 CB PRO A 41 100.783 2.337 -5.577 1.00 0.00 C ATOM 561 CG PRO A 41 100.916 3.748 -6.104 1.00 0.00 C ATOM 562 CD PRO A 41 99.572 4.164 -6.662 1.00 0.00 C ATOM 0 HA PRO A 41 99.078 0.945 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.119 2.271 -4.542 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.393 1.643 -6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.225 4.425 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.682 3.796 -6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.049 4.847 -5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.671 4.671 -7.622 1.00 0.00 H new ATOM 570 N ASN A 42 97.554 3.139 -4.424 1.00 0.00 N ATOM 571 CA ASN A 42 96.849 3.531 -3.169 1.00 0.00 C ATOM 572 C ASN A 42 95.371 3.154 -3.257 1.00 0.00 C ATOM 573 O ASN A 42 94.504 3.903 -2.849 1.00 0.00 O ATOM 574 CB ASN A 42 97.010 5.049 -3.099 1.00 0.00 C ATOM 575 CG ASN A 42 98.483 5.401 -2.884 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.144 5.877 -3.787 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.031 5.189 -1.719 1.00 0.00 N ATOM 0 H ASN A 42 97.163 3.533 -5.280 1.00 0.00 H new ATOM 0 HA ASN A 42 97.251 3.031 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 42 96.647 5.506 -4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.407 5.451 -2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.012 5.422 -1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.478 4.790 -0.960 1.00 0.00 H new ATOM 584 N VAL A 43 95.084 2.003 -3.799 1.00 0.00 N ATOM 585 CA VAL A 43 93.668 1.563 -3.934 1.00 0.00 C ATOM 586 C VAL A 43 93.405 0.313 -3.082 1.00 0.00 C ATOM 587 O VAL A 43 94.193 -0.620 -3.054 1.00 0.00 O ATOM 588 CB VAL A 43 93.483 1.279 -5.433 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.343 0.086 -5.868 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.002 0.987 -5.719 1.00 0.00 C ATOM 0 H VAL A 43 95.775 1.344 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 43 92.963 2.315 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 43 93.799 2.155 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.198 -0.099 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.393 0.306 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.050 -0.799 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.870 0.785 -6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.685 0.118 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.400 1.850 -5.436 1.00 0.00 H new ATOM 600 N GLY A 44 92.298 0.303 -2.381 1.00 0.00 N ATOM 601 CA GLY A 44 91.956 -0.863 -1.516 1.00 0.00 C ATOM 602 C GLY A 44 90.474 -0.813 -1.133 1.00 0.00 C ATOM 603 O GLY A 44 89.794 0.168 -1.361 1.00 0.00 O ATOM 0 H GLY A 44 91.613 1.059 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.173 -1.793 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.573 -0.853 -0.618 1.00 0.00 H new ATOM 607 N GLY A 45 89.975 -1.874 -0.543 1.00 0.00 N ATOM 608 CA GLY A 45 88.541 -1.913 -0.136 1.00 0.00 C ATOM 609 C GLY A 45 88.382 -1.387 1.293 1.00 0.00 C ATOM 610 O GLY A 45 89.339 -1.283 2.037 1.00 0.00 O ATOM 0 H GLY A 45 90.506 -2.718 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 45 87.945 -1.311 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.165 -2.934 -0.199 1.00 0.00 H new ATOM 614 N ILE A 46 87.169 -1.073 1.681 1.00 0.00 N ATOM 615 CA ILE A 46 86.914 -0.562 3.064 1.00 0.00 C ATOM 616 C ILE A 46 85.485 -0.947 3.519 1.00 0.00 C ATOM 617 O ILE A 46 84.668 -1.338 2.707 1.00 0.00 O ATOM 618 CB ILE A 46 87.107 0.961 2.987 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.218 1.553 1.897 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.570 1.271 2.664 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.804 2.973 2.294 1.00 0.00 C ATOM 0 H ILE A 46 86.339 -1.150 1.094 1.00 0.00 H new ATOM 0 HA ILE A 46 87.592 -0.995 3.800 1.00 0.00 H new ATOM 0 HB ILE A 46 86.835 1.400 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 46 86.752 1.570 0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.334 0.931 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 46 88.710 2.351 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.210 0.862 3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 46 88.834 0.822 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.169 3.398 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.254 2.942 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.694 3.591 2.414 1.00 0.00 H new ATOM 633 N PRO A 47 85.239 -0.865 4.815 1.00 0.00 N ATOM 634 CA PRO A 47 83.909 -1.259 5.385 1.00 0.00 C ATOM 635 C PRO A 47 82.794 -0.243 5.088 1.00 0.00 C ATOM 636 O PRO A 47 81.629 -0.540 5.285 1.00 0.00 O ATOM 637 CB PRO A 47 84.168 -1.270 6.891 1.00 0.00 C ATOM 638 CG PRO A 47 85.302 -0.325 7.098 1.00 0.00 C ATOM 639 CD PRO A 47 86.160 -0.398 5.872 1.00 0.00 C ATOM 0 HA PRO A 47 83.568 -2.203 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.285 -0.953 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.421 -2.271 7.240 1.00 0.00 H new ATOM 0 HG2 PRO A 47 84.935 0.690 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 47 85.873 -0.596 7.986 1.00 0.00 H new ATOM 0 HD2 PRO A 47 86.588 0.574 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 47 86.993 -1.088 6.009 1.00 0.00 H new ATOM 647 N ASP A 48 83.120 0.953 4.667 1.00 0.00 N ATOM 648 CA ASP A 48 82.051 1.975 4.423 1.00 0.00 C ATOM 649 C ASP A 48 81.518 1.947 2.985 1.00 0.00 C ATOM 650 O ASP A 48 80.808 2.848 2.578 1.00 0.00 O ATOM 651 CB ASP A 48 82.711 3.320 4.728 1.00 0.00 C ATOM 652 CG ASP A 48 82.912 3.465 6.240 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.117 2.912 6.983 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 83.853 4.135 6.630 1.00 0.00 O ATOM 0 H ASP A 48 84.073 1.267 4.482 1.00 0.00 H new ATOM 0 HA ASP A 48 81.181 1.779 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.670 3.390 4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.090 4.134 4.354 1.00 0.00 H new ATOM 659 N ILE A 49 81.826 0.931 2.219 1.00 0.00 N ATOM 660 CA ILE A 49 81.303 0.871 0.818 1.00 0.00 C ATOM 661 C ILE A 49 80.269 -0.254 0.687 1.00 0.00 C ATOM 662 O ILE A 49 80.493 -1.369 1.114 1.00 0.00 O ATOM 663 CB ILE A 49 82.529 0.638 -0.071 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.495 1.816 0.117 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.106 0.551 -1.541 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.763 1.601 -0.712 1.00 0.00 C ATOM 0 H ILE A 49 82.413 0.145 2.499 1.00 0.00 H new ATOM 0 HA ILE A 49 80.788 1.786 0.525 1.00 0.00 H new ATOM 0 HB ILE A 49 83.014 -0.298 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 49 83.009 2.745 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 49 83.754 1.918 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.985 0.385 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.409 -0.277 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.623 1.482 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 49 85.439 2.444 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 49 85.256 0.683 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 49 84.499 1.523 -1.767 1.00 0.00 H new ATOM 678 N ALA A 50 79.120 0.050 0.131 1.00 0.00 N ATOM 679 CA ALA A 50 78.044 -0.982 -0.002 1.00 0.00 C ATOM 680 C ALA A 50 78.236 -1.858 -1.237 1.00 0.00 C ATOM 681 O ALA A 50 78.126 -3.068 -1.154 1.00 0.00 O ATOM 682 CB ALA A 50 76.743 -0.186 -0.113 1.00 0.00 C ATOM 0 H ALA A 50 78.881 0.971 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 50 78.051 -1.664 0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.903 -0.874 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.610 0.420 0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.787 0.463 -0.987 1.00 0.00 H new ATOM 688 N GLY A 51 78.514 -1.278 -2.377 1.00 0.00 N ATOM 689 CA GLY A 51 78.696 -2.123 -3.588 1.00 0.00 C ATOM 690 C GLY A 51 78.639 -1.283 -4.869 1.00 0.00 C ATOM 691 O GLY A 51 79.185 -0.201 -4.955 1.00 0.00 O ATOM 0 H GLY A 51 78.621 -0.273 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.654 -2.640 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.922 -2.889 -3.619 1.00 0.00 H new ATOM 695 N TRP A 52 77.982 -1.812 -5.870 1.00 0.00 N ATOM 696 CA TRP A 52 77.846 -1.136 -7.204 1.00 0.00 C ATOM 697 C TRP A 52 77.618 0.382 -7.112 1.00 0.00 C ATOM 698 O TRP A 52 77.996 1.114 -8.014 1.00 0.00 O ATOM 699 CB TRP A 52 76.610 -1.786 -7.837 1.00 0.00 C ATOM 700 CG TRP A 52 76.476 -1.301 -9.247 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.188 -1.768 -10.296 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.610 -0.254 -9.771 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.812 -1.075 -11.434 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.841 -0.132 -11.161 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.655 0.593 -9.180 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.149 0.798 -11.938 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.956 1.530 -9.959 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.203 1.633 -11.335 1.00 0.00 C ATOM 0 H TRP A 52 77.516 -2.718 -5.818 1.00 0.00 H new ATOM 0 HA TRP A 52 78.767 -1.256 -7.775 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.704 -2.872 -7.819 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.717 -1.534 -7.265 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.929 -2.553 -10.254 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.204 -1.241 -12.361 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.458 0.522 -8.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.343 0.872 -12.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.224 2.175 -9.495 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.664 2.356 -11.929 1.00 0.00 H new ATOM 719 N ASP A 53 77.011 0.863 -6.054 1.00 0.00 N ATOM 720 CA ASP A 53 76.762 2.329 -5.939 1.00 0.00 C ATOM 721 C ASP A 53 76.980 2.803 -4.490 1.00 0.00 C ATOM 722 O ASP A 53 76.065 3.256 -3.829 1.00 0.00 O ATOM 723 CB ASP A 53 75.306 2.523 -6.374 1.00 0.00 C ATOM 724 CG ASP A 53 74.900 3.993 -6.219 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.244 4.775 -7.090 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.250 4.309 -5.236 1.00 0.00 O1- ATOM 0 H ASP A 53 76.679 0.303 -5.269 1.00 0.00 H new ATOM 0 HA ASP A 53 77.445 2.913 -6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.184 2.212 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.652 1.892 -5.773 1.00 0.00 H new ATOM 731 N SER A 54 78.187 2.696 -4.007 1.00 0.00 N ATOM 732 CA SER A 54 78.502 3.128 -2.615 1.00 0.00 C ATOM 733 C SER A 54 78.678 4.654 -2.554 1.00 0.00 C ATOM 734 O SER A 54 79.272 5.234 -3.441 1.00 0.00 O ATOM 735 CB SER A 54 79.818 2.428 -2.280 1.00 0.00 C ATOM 736 OG SER A 54 80.446 3.095 -1.194 1.00 0.00 O ATOM 0 H SER A 54 78.981 2.322 -4.526 1.00 0.00 H new ATOM 0 HA SER A 54 77.707 2.874 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 54 79.632 1.385 -2.022 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.475 2.429 -3.150 1.00 0.00 H new ATOM 0 HG SER A 54 81.281 3.505 -1.501 1.00 0.00 H new ATOM 742 N PRO A 55 78.160 5.266 -1.510 1.00 0.00 N ATOM 743 CA PRO A 55 78.283 6.734 -1.371 1.00 0.00 C ATOM 744 C PRO A 55 79.679 7.136 -0.871 1.00 0.00 C ATOM 745 O PRO A 55 80.061 8.289 -0.946 1.00 0.00 O ATOM 746 CB PRO A 55 77.228 7.086 -0.327 1.00 0.00 C ATOM 747 CG PRO A 55 77.038 5.843 0.483 1.00 0.00 C ATOM 748 CD PRO A 55 77.420 4.669 -0.383 1.00 0.00 C ATOM 0 HA PRO A 55 78.144 7.252 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.556 7.916 0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.295 7.393 -0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.656 5.873 1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.002 5.755 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.037 3.957 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.539 4.128 -0.729 1.00 0.00 H new ATOM 756 N SER A 56 80.430 6.203 -0.326 1.00 0.00 N ATOM 757 CA SER A 56 81.781 6.543 0.219 1.00 0.00 C ATOM 758 C SER A 56 82.912 6.218 -0.764 1.00 0.00 C ATOM 759 O SER A 56 84.073 6.343 -0.423 1.00 0.00 O ATOM 760 CB SER A 56 81.923 5.671 1.461 1.00 0.00 C ATOM 761 OG SER A 56 82.106 4.320 1.064 1.00 0.00 O ATOM 0 H SER A 56 80.163 5.223 -0.237 1.00 0.00 H new ATOM 0 HA SER A 56 81.857 7.612 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.771 6.005 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 56 81.035 5.762 2.087 1.00 0.00 H new ATOM 0 HG SER A 56 81.324 3.792 1.330 1.00 0.00 H new ATOM 767 N CYS A 57 82.609 5.790 -1.965 1.00 0.00 N ATOM 768 CA CYS A 57 83.712 5.463 -2.925 1.00 0.00 C ATOM 769 C CYS A 57 84.545 6.721 -3.205 1.00 0.00 C ATOM 770 O CYS A 57 84.012 7.805 -3.353 1.00 0.00 O ATOM 771 CB CYS A 57 83.030 4.984 -4.205 1.00 0.00 C ATOM 772 SG CYS A 57 83.974 3.623 -4.951 1.00 0.00 S ATOM 0 H CYS A 57 81.662 5.654 -2.319 1.00 0.00 H new ATOM 0 HA CYS A 57 84.384 4.703 -2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 57 82.016 4.653 -3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.948 5.809 -4.912 1.00 0.00 H new ATOM 777 N GLY A 58 85.841 6.578 -3.297 1.00 0.00 N ATOM 778 CA GLY A 58 86.710 7.755 -3.588 1.00 0.00 C ATOM 779 C GLY A 58 87.155 8.439 -2.291 1.00 0.00 C ATOM 780 O GLY A 58 87.986 9.329 -2.320 1.00 0.00 O ATOM 0 H GLY A 58 86.336 5.694 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.585 7.435 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 58 86.169 8.466 -4.212 1.00 0.00 H new ATOM 784 N THR A 59 86.623 8.043 -1.156 1.00 0.00 N ATOM 785 CA THR A 59 87.043 8.696 0.120 1.00 0.00 C ATOM 786 C THR A 59 88.489 8.307 0.442 1.00 0.00 C ATOM 787 O THR A 59 88.954 7.242 0.086 1.00 0.00 O ATOM 788 CB THR A 59 86.065 8.187 1.190 1.00 0.00 C ATOM 789 OG1 THR A 59 84.761 8.666 0.894 1.00 0.00 O ATOM 790 CG2 THR A 59 86.480 8.700 2.573 1.00 0.00 C ATOM 0 H THR A 59 85.925 7.305 -1.062 1.00 0.00 H new ATOM 0 HA THR A 59 87.015 9.784 0.064 1.00 0.00 H new ATOM 0 HB THR A 59 86.077 7.097 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.268 7.984 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.779 8.333 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.483 8.343 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.474 9.790 2.574 1.00 0.00 H new ATOM 798 N CYS A 60 89.194 9.182 1.102 1.00 0.00 N ATOM 799 CA CYS A 60 90.619 8.907 1.449 1.00 0.00 C ATOM 800 C CYS A 60 90.755 8.408 2.888 1.00 0.00 C ATOM 801 O CYS A 60 90.246 9.014 3.813 1.00 0.00 O ATOM 802 CB CYS A 60 91.318 10.259 1.295 1.00 0.00 C ATOM 803 SG CYS A 60 92.170 10.319 -0.300 1.00 0.00 S ATOM 0 H CYS A 60 88.842 10.085 1.420 1.00 0.00 H new ATOM 0 HA CYS A 60 91.047 8.132 0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.589 11.067 1.361 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.031 10.406 2.106 1.00 0.00 H new ATOM 808 N TRP A 61 91.463 7.329 3.087 1.00 0.00 N ATOM 809 CA TRP A 61 91.667 6.803 4.467 1.00 0.00 C ATOM 810 C TRP A 61 93.163 6.589 4.708 1.00 0.00 C ATOM 811 O TRP A 61 93.874 6.138 3.830 1.00 0.00 O ATOM 812 CB TRP A 61 90.915 5.474 4.508 1.00 0.00 C ATOM 813 CG TRP A 61 89.445 5.735 4.428 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.678 5.507 3.338 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.556 6.271 5.450 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.374 5.867 3.626 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.247 6.343 4.915 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.753 6.697 6.778 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.174 6.820 5.668 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.674 7.177 7.538 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.387 7.239 6.984 1.00 0.00 C ATOM 0 H TRP A 61 91.911 6.787 2.349 1.00 0.00 H new ATOM 0 HA TRP A 61 91.305 7.485 5.236 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.229 4.840 3.679 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.151 4.938 5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.027 5.109 2.397 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.600 5.790 2.966 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.740 6.654 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.185 6.865 5.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 87.836 7.500 8.556 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.562 7.610 7.574 1.00 0.00 H new ATOM 832 N LYS A 62 93.650 6.904 5.880 1.00 0.00 N ATOM 833 CA LYS A 62 95.105 6.714 6.162 1.00 0.00 C ATOM 834 C LYS A 62 95.300 5.464 7.019 1.00 0.00 C ATOM 835 O LYS A 62 94.608 5.268 7.996 1.00 0.00 O ATOM 836 CB LYS A 62 95.530 7.967 6.928 1.00 0.00 C ATOM 837 CG LYS A 62 97.035 7.918 7.200 1.00 0.00 C ATOM 838 CD LYS A 62 97.460 9.173 7.968 1.00 0.00 C ATOM 839 CE LYS A 62 98.986 9.199 8.097 1.00 0.00 C ATOM 840 NZ LYS A 62 99.292 10.482 8.793 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.104 7.284 6.653 1.00 0.00 H new ATOM 0 HA LYS A 62 95.695 6.580 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.283 8.859 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.983 8.034 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.282 7.026 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.583 7.852 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.113 10.066 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.000 9.181 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.349 8.344 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.466 9.156 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.320 10.572 8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.941 11.278 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.828 10.491 9.724 1.00 0.00 H new ATOM 854 N VAL A 63 96.229 4.617 6.655 1.00 0.00 N ATOM 855 CA VAL A 63 96.461 3.370 7.445 1.00 0.00 C ATOM 856 C VAL A 63 97.800 3.446 8.187 1.00 0.00 C ATOM 857 O VAL A 63 98.835 3.680 7.594 1.00 0.00 O ATOM 858 CB VAL A 63 96.466 2.238 6.413 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.703 0.898 7.112 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.113 2.193 5.698 1.00 0.00 C ATOM 0 H VAL A 63 96.837 4.735 5.845 1.00 0.00 H new ATOM 0 HA VAL A 63 95.696 3.216 8.206 1.00 0.00 H new ATOM 0 HB VAL A 63 97.262 2.419 5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.705 0.097 6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.664 0.921 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.909 0.720 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.116 1.388 4.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.322 2.016 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 63 94.936 3.143 5.194 1.00 0.00 H new ATOM 870 N THR A 64 97.770 3.270 9.485 1.00 0.00 N ATOM 871 CA THR A 64 99.015 3.347 10.306 1.00 0.00 C ATOM 872 C THR A 64 99.283 2.010 11.008 1.00 0.00 C ATOM 873 O THR A 64 98.381 1.397 11.554 1.00 0.00 O ATOM 874 CB THR A 64 98.712 4.426 11.347 1.00 0.00 C ATOM 875 OG1 THR A 64 98.314 5.621 10.687 1.00 0.00 O ATOM 876 CG2 THR A 64 99.961 4.697 12.185 1.00 0.00 C ATOM 0 H THR A 64 96.922 3.073 10.017 1.00 0.00 H new ATOM 0 HA THR A 64 99.894 3.571 9.702 1.00 0.00 H new ATOM 0 HB THR A 64 97.908 4.085 11.999 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.118 6.313 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.742 5.466 12.926 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.265 3.781 12.692 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.768 5.037 11.536 1.00 0.00 H new ATOM 884 N ILE A 65 100.512 1.552 10.995 1.00 0.00 N ATOM 885 CA ILE A 65 100.836 0.246 11.654 1.00 0.00 C ATOM 886 C ILE A 65 101.798 0.458 12.844 1.00 0.00 C ATOM 887 O ILE A 65 102.392 1.510 12.971 1.00 0.00 O ATOM 888 CB ILE A 65 101.476 -0.609 10.551 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.700 0.110 9.972 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.456 -0.843 9.436 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.688 -0.926 9.432 1.00 0.00 C ATOM 0 H ILE A 65 101.303 2.024 10.558 1.00 0.00 H new ATOM 0 HA ILE A 65 99.953 -0.239 12.070 1.00 0.00 H new ATOM 0 HB ILE A 65 101.788 -1.563 10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.394 0.788 9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.177 0.717 10.741 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.908 -1.450 8.651 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.587 -1.362 9.841 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.145 0.115 9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.559 -0.417 9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 65 104.002 -1.586 10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.207 -1.514 8.650 1.00 0.00 H new ATOM 903 N PRO A 66 101.893 -0.546 13.703 1.00 0.00 N ATOM 904 CA PRO A 66 102.760 -0.452 14.921 1.00 0.00 C ATOM 905 C PRO A 66 104.249 -0.279 14.590 1.00 0.00 C ATOM 906 O PRO A 66 104.991 0.292 15.369 1.00 0.00 O ATOM 907 CB PRO A 66 102.522 -1.789 15.627 1.00 0.00 C ATOM 908 CG PRO A 66 102.060 -2.706 14.550 1.00 0.00 C ATOM 909 CD PRO A 66 101.223 -1.860 13.638 1.00 0.00 C ATOM 0 HA PRO A 66 102.510 0.422 15.523 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.434 -2.157 16.097 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.774 -1.694 16.414 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.904 -3.142 14.016 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.481 -3.533 14.960 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.206 -2.255 12.622 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.188 -1.803 13.976 1.00 0.00 H new ATOM 917 N ASN A 67 104.695 -0.753 13.455 1.00 0.00 N ATOM 918 CA ASN A 67 106.144 -0.597 13.095 1.00 0.00 C ATOM 919 C ASN A 67 106.486 0.892 12.975 1.00 0.00 C ATOM 920 O ASN A 67 107.531 1.345 13.400 1.00 0.00 O ATOM 921 CB ASN A 67 106.304 -1.302 11.747 1.00 0.00 C ATOM 922 CG ASN A 67 107.759 -1.206 11.279 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.656 -1.013 12.077 1.00 0.00 O ATOM 924 ND2 ASN A 67 108.033 -1.336 10.010 1.00 0.00 N ATOM 0 H ASN A 67 104.125 -1.239 12.763 1.00 0.00 H new ATOM 0 HA ASN A 67 106.810 -1.022 13.846 1.00 0.00 H new ATOM 0 HB2 ASN A 67 106.010 -2.348 11.836 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.644 -0.847 11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.999 -1.276 9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.281 -1.498 9.340 1.00 0.00 H new ATOM 931 N GLY A 68 105.587 1.642 12.403 1.00 0.00 N ATOM 932 CA GLY A 68 105.813 3.108 12.246 1.00 0.00 C ATOM 933 C GLY A 68 105.839 3.468 10.763 1.00 0.00 C ATOM 934 O GLY A 68 106.812 3.994 10.259 1.00 0.00 O ATOM 0 H GLY A 68 104.699 1.301 12.035 1.00 0.00 H new ATOM 0 HA2 GLY A 68 105.023 3.664 12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.754 3.393 12.716 1.00 0.00 H new ATOM 938 N ASN A 69 104.765 3.206 10.075 1.00 0.00 N ATOM 939 CA ASN A 69 104.686 3.539 8.626 1.00 0.00 C ATOM 940 C ASN A 69 103.222 3.717 8.240 1.00 0.00 C ATOM 941 O ASN A 69 102.347 3.121 8.843 1.00 0.00 O ATOM 942 CB ASN A 69 105.285 2.341 7.888 1.00 0.00 C ATOM 943 CG ASN A 69 106.806 2.338 8.041 1.00 0.00 C ATOM 944 OD1 ASN A 69 107.441 3.369 7.947 1.00 0.00 O ATOM 945 ND2 ASN A 69 107.421 1.210 8.269 1.00 0.00 N ATOM 0 H ASN A 69 103.927 2.770 10.460 1.00 0.00 H new ATOM 0 HA ASN A 69 105.218 4.458 8.381 1.00 0.00 H new ATOM 0 HB2 ASN A 69 104.870 1.415 8.285 1.00 0.00 H new ATOM 0 HB3 ASN A 69 105.018 2.383 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 69 108.436 1.194 8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.887 0.345 8.348 1.00 0.00 H new ATOM 952 N SER A 70 102.943 4.530 7.256 1.00 0.00 N ATOM 953 CA SER A 70 101.525 4.734 6.852 1.00 0.00 C ATOM 954 C SER A 70 101.401 5.053 5.364 1.00 0.00 C ATOM 955 O SER A 70 102.299 5.585 4.742 1.00 0.00 O ATOM 956 CB SER A 70 101.025 5.900 7.703 1.00 0.00 C ATOM 957 OG SER A 70 101.700 7.088 7.314 1.00 0.00 O ATOM 0 H SER A 70 103.631 5.057 6.719 1.00 0.00 H new ATOM 0 HA SER A 70 100.936 3.830 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.949 6.022 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 70 101.202 5.697 8.759 1.00 0.00 H new ATOM 0 HG SER A 70 101.380 7.839 7.857 1.00 0.00 H new ATOM 963 N ILE A 71 100.271 4.726 4.804 1.00 0.00 N ATOM 964 CA ILE A 71 99.999 4.983 3.360 1.00 0.00 C ATOM 965 C ILE A 71 98.563 5.474 3.218 1.00 0.00 C ATOM 966 O ILE A 71 97.767 5.313 4.127 1.00 0.00 O ATOM 967 CB ILE A 71 100.174 3.634 2.645 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.297 2.563 3.304 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.638 3.204 2.699 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.304 1.298 2.443 1.00 0.00 C ATOM 0 H ILE A 71 99.501 4.278 5.301 1.00 0.00 H new ATOM 0 HA ILE A 71 100.666 5.734 2.937 1.00 0.00 H new ATOM 0 HB ILE A 71 99.869 3.748 1.605 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.669 2.338 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.278 2.932 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.755 2.247 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.256 3.955 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.949 3.103 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.681 0.536 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.912 1.530 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.324 0.926 2.351 1.00 0.00 H new ATOM 982 N PHE A 72 98.214 6.073 2.106 1.00 0.00 N ATOM 983 CA PHE A 72 96.813 6.565 1.958 1.00 0.00 C ATOM 984 C PHE A 72 96.037 5.647 1.014 1.00 0.00 C ATOM 985 O PHE A 72 96.490 5.334 -0.070 1.00 0.00 O ATOM 986 CB PHE A 72 96.938 7.969 1.365 1.00 0.00 C ATOM 987 CG PHE A 72 97.700 8.856 2.319 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.165 9.151 3.578 1.00 0.00 C ATOM 989 CD2 PHE A 72 98.944 9.383 1.945 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.872 9.971 4.464 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.651 10.203 2.832 1.00 0.00 C ATOM 992 CZ PHE A 72 99.115 10.498 4.091 1.00 0.00 C ATOM 0 H PHE A 72 98.828 6.240 1.308 1.00 0.00 H new ATOM 0 HA PHE A 72 96.276 6.578 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.452 7.925 0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 72 95.948 8.385 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.206 8.746 3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.357 9.156 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.459 10.198 5.436 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.610 10.608 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.660 11.132 4.775 1.00 0.00 H new ATOM 1002 N ILE A 73 94.881 5.201 1.429 1.00 0.00 N ATOM 1003 CA ILE A 73 94.076 4.287 0.568 1.00 0.00 C ATOM 1004 C ILE A 73 92.764 4.969 0.182 1.00 0.00 C ATOM 1005 O ILE A 73 92.046 5.453 1.038 1.00 0.00 O ATOM 1006 CB ILE A 73 93.808 3.057 1.446 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.138 2.413 1.874 1.00 0.00 C ATOM 1008 CG2 ILE A 73 92.973 2.033 0.667 1.00 0.00 C ATOM 1009 CD1 ILE A 73 95.957 1.996 0.644 1.00 0.00 C ATOM 0 H ILE A 73 94.459 5.431 2.329 1.00 0.00 H new ATOM 0 HA ILE A 73 94.586 4.021 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 73 93.260 3.372 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.711 3.117 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 73 94.942 1.542 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 73 92.786 1.162 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.023 2.483 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.516 1.725 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.894 1.543 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.389 1.275 0.056 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.170 2.874 0.034 1.00 0.00 H new ATOM 1021 N ARG A 74 92.437 5.015 -1.086 1.00 0.00 N ATOM 1022 CA ARG A 74 91.165 5.669 -1.495 1.00 0.00 C ATOM 1023 C ARG A 74 90.111 4.590 -1.742 1.00 0.00 C ATOM 1024 O ARG A 74 90.392 3.547 -2.301 1.00 0.00 O ATOM 1025 CB ARG A 74 91.506 6.444 -2.770 1.00 0.00 C ATOM 1026 CG ARG A 74 90.341 7.359 -3.153 1.00 0.00 C ATOM 1027 CD ARG A 74 90.700 8.127 -4.431 1.00 0.00 C ATOM 1028 NE ARG A 74 89.625 9.151 -4.585 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.787 10.150 -5.411 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.836 10.921 -5.311 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 88.897 10.379 -6.337 1.00 0.00 N ATOM 0 H ARG A 74 92.995 4.629 -1.848 1.00 0.00 H new ATOM 0 HA ARG A 74 90.757 6.340 -0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.408 7.036 -2.616 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.716 5.749 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.437 6.770 -3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.130 8.057 -2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.681 8.595 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.737 7.462 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 74 88.763 9.071 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.532 10.744 -4.586 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.960 11.700 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.076 9.778 -6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.022 11.159 -6.983 1.00 0.00 H new ATOM 1045 N GLY A 75 88.905 4.824 -1.294 1.00 0.00 N ATOM 1046 CA GLY A 75 87.816 3.813 -1.454 1.00 0.00 C ATOM 1047 C GLY A 75 87.669 3.380 -2.914 1.00 0.00 C ATOM 1048 O GLY A 75 87.884 4.146 -3.834 1.00 0.00 O ATOM 0 H GLY A 75 88.625 5.682 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.031 2.943 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 75 86.874 4.231 -1.100 1.00 0.00 H new ATOM 1052 N VAL A 76 87.280 2.151 -3.118 1.00 0.00 N ATOM 1053 CA VAL A 76 87.076 1.618 -4.495 1.00 0.00 C ATOM 1054 C VAL A 76 86.166 0.375 -4.427 1.00 0.00 C ATOM 1055 O VAL A 76 85.249 0.220 -5.208 1.00 0.00 O ATOM 1056 CB VAL A 76 88.492 1.292 -5.032 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.009 -0.052 -4.496 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.444 1.235 -6.559 1.00 0.00 C ATOM 0 H VAL A 76 87.091 1.481 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 76 86.582 2.325 -5.161 1.00 0.00 H new ATOM 0 HB VAL A 76 89.171 2.074 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.005 -0.244 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.056 -0.016 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.334 -0.850 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.437 1.006 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.745 0.460 -6.872 1.00 0.00 H new ATOM 0 HG23 VAL A 76 88.116 2.199 -6.949 1.00 0.00 H new ATOM 1068 N ASP A 77 86.414 -0.498 -3.480 1.00 0.00 N ATOM 1069 CA ASP A 77 85.584 -1.729 -3.316 1.00 0.00 C ATOM 1070 C ASP A 77 85.191 -1.898 -1.849 1.00 0.00 C ATOM 1071 O ASP A 77 85.749 -1.272 -0.971 1.00 0.00 O ATOM 1072 CB ASP A 77 86.477 -2.889 -3.749 1.00 0.00 C ATOM 1073 CG ASP A 77 85.668 -4.189 -3.702 1.00 0.00 C ATOM 1074 OD1 ASP A 77 84.989 -4.479 -4.673 1.00 0.00 O ATOM 1075 OD2 ASP A 77 85.737 -4.870 -2.689 1.00 0.00 O1- ATOM 0 H ASP A 77 87.171 -0.405 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 77 84.667 -1.681 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.854 -2.717 -4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.344 -2.962 -3.092 1.00 0.00 H new ATOM 1080 N SER A 78 84.235 -2.749 -1.580 1.00 0.00 N ATOM 1081 CA SER A 78 83.795 -2.976 -0.172 1.00 0.00 C ATOM 1082 C SER A 78 84.272 -4.345 0.315 1.00 0.00 C ATOM 1083 O SER A 78 84.610 -5.208 -0.475 1.00 0.00 O ATOM 1084 CB SER A 78 82.271 -2.935 -0.227 1.00 0.00 C ATOM 1085 OG SER A 78 81.805 -3.953 -1.103 1.00 0.00 O ATOM 0 H SER A 78 83.738 -3.300 -2.280 1.00 0.00 H new ATOM 0 HA SER A 78 84.202 -2.233 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.856 -3.079 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.934 -1.958 -0.574 1.00 0.00 H new ATOM 0 HG SER A 78 80.826 -3.930 -1.139 1.00 0.00 H new ATOM 1091 N GLY A 79 84.299 -4.550 1.606 1.00 0.00 N ATOM 1092 CA GLY A 79 84.751 -5.862 2.149 1.00 0.00 C ATOM 1093 C GLY A 79 83.949 -6.203 3.408 1.00 0.00 C ATOM 1094 O GLY A 79 83.167 -5.409 3.895 1.00 0.00 O ATOM 0 H GLY A 79 84.026 -3.862 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 79 84.618 -6.642 1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 79 85.815 -5.823 2.383 1.00 0.00 H new ATOM 1098 N ARG A 80 84.141 -7.384 3.926 1.00 0.00 N ATOM 1099 CA ARG A 80 83.398 -7.813 5.153 1.00 0.00 C ATOM 1100 C ARG A 80 83.688 -6.893 6.357 1.00 0.00 C ATOM 1101 O ARG A 80 82.794 -6.577 7.118 1.00 0.00 O ATOM 1102 CB ARG A 80 83.887 -9.233 5.436 1.00 0.00 C ATOM 1103 CG ARG A 80 83.358 -10.183 4.359 1.00 0.00 C ATOM 1104 CD ARG A 80 83.848 -11.607 4.641 1.00 0.00 C ATOM 1105 NE ARG A 80 85.336 -11.522 4.612 1.00 0.00 N ATOM 1106 CZ ARG A 80 86.053 -12.452 5.177 1.00 0.00 C ATOM 1107 NH1 ARG A 80 86.050 -12.579 6.476 1.00 0.00 N ATOM 1108 NH2 ARG A 80 86.770 -13.259 4.445 1.00 0.00 N1+ ATOM 0 H ARG A 80 84.786 -8.080 3.551 1.00 0.00 H new ATOM 0 HA ARG A 80 82.320 -7.763 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 80 84.977 -9.257 5.452 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.546 -9.556 6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.268 -10.159 4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 80 83.698 -9.859 3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 80 83.493 -11.961 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.479 -12.306 3.891 1.00 0.00 H new ATOM 0 HE ARG A 80 85.793 -10.736 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.487 -11.950 7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 80 86.611 -13.307 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 80 86.770 -13.162 3.430 1.00 0.00 H new ATOM 0 HH22 ARG A 80 87.331 -13.987 4.888 1.00 0.00 H new ATOM 1122 N GLY A 81 84.920 -6.464 6.540 1.00 0.00 N ATOM 1123 CA GLY A 81 85.223 -5.568 7.709 1.00 0.00 C ATOM 1124 C GLY A 81 86.731 -5.332 7.871 1.00 0.00 C ATOM 1125 O GLY A 81 87.424 -6.113 8.496 1.00 0.00 O ATOM 0 H GLY A 81 85.715 -6.690 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.718 -4.612 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 81 84.825 -6.013 8.621 1.00 0.00 H new ATOM 1129 N GLY A 82 87.233 -4.250 7.330 1.00 0.00 N ATOM 1130 CA GLY A 82 88.690 -3.947 7.472 1.00 0.00 C ATOM 1131 C GLY A 82 89.175 -3.150 6.261 1.00 0.00 C ATOM 1132 O GLY A 82 88.395 -2.640 5.484 1.00 0.00 O ATOM 0 H GLY A 82 86.698 -3.565 6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 82 88.865 -3.379 8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.257 -4.874 7.559 1.00 0.00 H new ATOM 1136 N PHE A 83 90.466 -3.072 6.085 1.00 0.00 N ATOM 1137 CA PHE A 83 91.034 -2.338 4.918 1.00 0.00 C ATOM 1138 C PHE A 83 91.930 -3.281 4.118 1.00 0.00 C ATOM 1139 O PHE A 83 92.904 -3.801 4.633 1.00 0.00 O ATOM 1140 CB PHE A 83 91.869 -1.212 5.531 1.00 0.00 C ATOM 1141 CG PHE A 83 90.964 -0.221 6.223 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.621 -0.406 7.566 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.469 0.883 5.519 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.782 0.513 8.209 1.00 0.00 C ATOM 1145 CE2 PHE A 83 89.632 1.803 6.161 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.288 1.618 7.505 1.00 0.00 C ATOM 0 H PHE A 83 91.159 -3.490 6.706 1.00 0.00 H new ATOM 0 HA PHE A 83 90.267 -1.956 4.245 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.584 -1.624 6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.446 -0.710 4.754 1.00 0.00 H new ATOM 0 HD1 PHE A 83 91.003 -1.258 8.108 1.00 0.00 H new ATOM 0 HD2 PHE A 83 90.733 1.025 4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.517 0.370 9.246 1.00 0.00 H new ATOM 0 HE2 PHE A 83 89.251 2.656 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.641 2.328 7.999 1.00 0.00 H new ATOM 1156 N ASN A 84 91.619 -3.504 2.865 1.00 0.00 N ATOM 1157 CA ASN A 84 92.473 -4.415 2.042 1.00 0.00 C ATOM 1158 C ASN A 84 93.040 -3.617 0.869 1.00 0.00 C ATOM 1159 O ASN A 84 92.308 -2.926 0.195 1.00 0.00 O ATOM 1160 CB ASN A 84 91.526 -5.514 1.558 1.00 0.00 C ATOM 1161 CG ASN A 84 92.331 -6.701 1.029 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.414 -6.532 0.503 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.846 -7.907 1.154 1.00 0.00 N ATOM 0 H ASN A 84 90.818 -3.099 2.380 1.00 0.00 H new ATOM 0 HA ASN A 84 93.314 -4.839 2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.881 -5.836 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.876 -5.126 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.376 -8.708 0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.937 -8.048 1.595 1.00 0.00 H new ATOM 1170 N VAL A 85 94.326 -3.673 0.630 1.00 0.00 N ATOM 1171 CA VAL A 85 94.903 -2.865 -0.494 1.00 0.00 C ATOM 1172 C VAL A 85 95.789 -3.714 -1.404 1.00 0.00 C ATOM 1173 O VAL A 85 96.043 -4.874 -1.139 1.00 0.00 O ATOM 1174 CB VAL A 85 95.754 -1.777 0.180 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.859 -0.850 1.006 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.801 -2.424 1.096 1.00 0.00 C ATOM 0 H VAL A 85 94.996 -4.235 1.155 1.00 0.00 H new ATOM 0 HA VAL A 85 94.111 -2.456 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 85 96.259 -1.197 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.470 -0.082 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.124 -0.378 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.345 -1.429 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.400 -1.646 1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.299 -3.013 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.449 -3.073 0.507 1.00 0.00 H new ATOM 1186 N ASN A 86 96.261 -3.138 -2.481 1.00 0.00 N ATOM 1187 CA ASN A 86 97.142 -3.906 -3.416 1.00 0.00 C ATOM 1188 C ASN A 86 98.378 -4.427 -2.663 1.00 0.00 C ATOM 1189 O ASN A 86 98.749 -3.876 -1.646 1.00 0.00 O ATOM 1190 CB ASN A 86 97.576 -2.897 -4.485 1.00 0.00 C ATOM 1191 CG ASN A 86 96.387 -2.528 -5.376 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.265 -2.919 -5.116 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.589 -1.780 -6.425 1.00 0.00 N ATOM 0 H ASN A 86 96.076 -2.173 -2.753 1.00 0.00 H new ATOM 0 HA ASN A 86 96.628 -4.766 -3.846 1.00 0.00 H new ATOM 0 HB2 ASN A 86 97.975 -2.001 -4.009 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.377 -3.320 -5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.806 -1.523 -7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.530 -1.452 -6.644 1.00 0.00 H new ATOM 1200 N PRO A 87 98.981 -5.471 -3.182 1.00 0.00 N ATOM 1201 CA PRO A 87 100.183 -6.045 -2.529 1.00 0.00 C ATOM 1202 C PRO A 87 101.352 -5.062 -2.589 1.00 0.00 C ATOM 1203 O PRO A 87 102.204 -5.076 -1.724 1.00 0.00 O ATOM 1204 CB PRO A 87 100.472 -7.309 -3.336 1.00 0.00 C ATOM 1205 CG PRO A 87 99.847 -7.055 -4.668 1.00 0.00 C ATOM 1206 CD PRO A 87 98.629 -6.210 -4.406 1.00 0.00 C ATOM 0 HA PRO A 87 100.032 -6.258 -1.471 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.544 -7.485 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.044 -8.191 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.542 -6.541 -5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.574 -7.991 -5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.422 -5.535 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.739 -6.822 -4.263 1.00 0.00 H new ATOM 1214 N THR A 88 101.403 -4.199 -3.572 1.00 0.00 N ATOM 1215 CA THR A 88 102.529 -3.216 -3.640 1.00 0.00 C ATOM 1216 C THR A 88 102.379 -2.188 -2.513 1.00 0.00 C ATOM 1217 O THR A 88 103.349 -1.812 -1.881 1.00 0.00 O ATOM 1218 CB THR A 88 102.416 -2.559 -5.011 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.533 -3.551 -6.021 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.523 -1.516 -5.185 1.00 0.00 C ATOM 0 H THR A 88 100.719 -4.132 -4.326 1.00 0.00 H new ATOM 0 HA THR A 88 103.505 -3.685 -3.515 1.00 0.00 H new ATOM 0 HB THR A 88 101.447 -2.066 -5.093 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.459 -3.130 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.434 -1.052 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.428 -0.752 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.496 -2.000 -5.099 1.00 0.00 H new ATOM 1228 N ALA A 89 101.175 -1.750 -2.239 1.00 0.00 N ATOM 1229 CA ALA A 89 100.977 -0.767 -1.130 1.00 0.00 C ATOM 1230 C ALA A 89 101.304 -1.460 0.190 1.00 0.00 C ATOM 1231 O ALA A 89 101.926 -0.891 1.068 1.00 0.00 O ATOM 1232 CB ALA A 89 99.496 -0.359 -1.192 1.00 0.00 C ATOM 0 H ALA A 89 100.326 -2.028 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 89 101.617 0.111 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.284 0.362 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.283 0.091 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.870 -1.241 -1.055 1.00 0.00 H new ATOM 1238 N PHE A 90 100.902 -2.693 0.322 1.00 0.00 N ATOM 1239 CA PHE A 90 101.203 -3.458 1.574 1.00 0.00 C ATOM 1240 C PHE A 90 102.717 -3.564 1.793 1.00 0.00 C ATOM 1241 O PHE A 90 103.217 -3.306 2.872 1.00 0.00 O ATOM 1242 CB PHE A 90 100.613 -4.852 1.350 1.00 0.00 C ATOM 1243 CG PHE A 90 100.742 -5.661 2.621 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.905 -6.406 2.865 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.700 -5.665 3.557 1.00 0.00 C ATOM 1246 CE1 PHE A 90 102.023 -7.152 4.043 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.818 -6.412 4.735 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.981 -7.157 4.978 1.00 0.00 C ATOM 0 H PHE A 90 100.376 -3.209 -0.383 1.00 0.00 H new ATOM 0 HA PHE A 90 100.784 -2.967 2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.565 -4.773 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.133 -5.352 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.709 -6.404 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.804 -5.091 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.919 -7.725 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 90 99.014 -6.415 5.456 1.00 0.00 H new ATOM 0 HZ PHE A 90 101.073 -7.734 5.886 1.00 0.00 H new ATOM 1258 N THR A 91 103.442 -3.975 0.783 1.00 0.00 N ATOM 1259 CA THR A 91 104.925 -4.144 0.925 1.00 0.00 C ATOM 1260 C THR A 91 105.584 -2.817 1.301 1.00 0.00 C ATOM 1261 O THR A 91 106.517 -2.777 2.073 1.00 0.00 O ATOM 1262 CB THR A 91 105.421 -4.605 -0.450 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.736 -5.786 -0.830 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.918 -4.904 -0.375 1.00 0.00 C ATOM 0 H THR A 91 103.071 -4.202 -0.139 1.00 0.00 H new ATOM 0 HA THR A 91 105.172 -4.859 1.710 1.00 0.00 H new ATOM 0 HB THR A 91 105.235 -3.819 -1.182 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.883 -5.549 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.273 -5.232 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.455 -4.003 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.096 -5.691 0.358 1.00 0.00 H new ATOM 1272 N LYS A 92 105.116 -1.742 0.737 1.00 0.00 N ATOM 1273 CA LYS A 92 105.727 -0.416 1.054 1.00 0.00 C ATOM 1274 C LYS A 92 105.437 -0.014 2.501 1.00 0.00 C ATOM 1275 O LYS A 92 106.282 0.541 3.180 1.00 0.00 O ATOM 1276 CB LYS A 92 105.078 0.573 0.094 1.00 0.00 C ATOM 1277 CG LYS A 92 105.576 0.301 -1.325 1.00 0.00 C ATOM 1278 CD LYS A 92 104.929 1.288 -2.296 1.00 0.00 C ATOM 1279 CE LYS A 92 105.433 1.009 -3.714 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.656 1.932 -4.586 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.342 -1.719 0.074 1.00 0.00 H new ATOM 0 HA LYS A 92 106.811 -0.442 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.993 0.479 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.320 1.594 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.661 0.396 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.335 -0.721 -1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 92 103.844 1.194 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.170 2.311 -2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.504 1.196 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.268 -0.031 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 104.945 1.800 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.641 1.726 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 104.838 2.915 -4.300 1.00 0.00 H new ATOM 1294 N LEU A 93 104.245 -0.274 2.969 1.00 0.00 N ATOM 1295 CA LEU A 93 103.891 0.112 4.370 1.00 0.00 C ATOM 1296 C LEU A 93 104.632 -0.744 5.403 1.00 0.00 C ATOM 1297 O LEU A 93 105.084 -0.239 6.415 1.00 0.00 O ATOM 1298 CB LEU A 93 102.378 -0.115 4.468 1.00 0.00 C ATOM 1299 CG LEU A 93 101.877 0.243 5.870 1.00 0.00 C ATOM 1300 CD1 LEU A 93 102.029 1.743 6.107 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.402 -0.144 5.995 1.00 0.00 C ATOM 0 H LEU A 93 103.502 -0.736 2.445 1.00 0.00 H new ATOM 0 HA LEU A 93 104.176 1.142 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.863 0.493 3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 93 102.144 -1.156 4.246 1.00 0.00 H new ATOM 0 HG LEU A 93 102.464 -0.299 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.671 1.992 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 93 103.079 2.021 6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.445 2.289 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.043 0.110 6.992 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.819 0.398 5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.292 -1.216 5.832 1.00 0.00 H new ATOM 1313 N VAL A 94 104.724 -2.032 5.188 1.00 0.00 N ATOM 1314 CA VAL A 94 105.397 -2.910 6.206 1.00 0.00 C ATOM 1315 C VAL A 94 106.847 -3.216 5.820 1.00 0.00 C ATOM 1316 O VAL A 94 107.718 -3.292 6.666 1.00 0.00 O ATOM 1317 CB VAL A 94 104.569 -4.199 6.238 1.00 0.00 C ATOM 1318 CG1 VAL A 94 105.103 -5.122 7.335 1.00 0.00 C ATOM 1319 CG2 VAL A 94 103.099 -3.874 6.530 1.00 0.00 C ATOM 0 H VAL A 94 104.368 -2.514 4.363 1.00 0.00 H new ATOM 0 HA VAL A 94 105.441 -2.421 7.179 1.00 0.00 H new ATOM 0 HB VAL A 94 104.645 -4.691 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 94 104.514 -6.039 7.358 1.00 0.00 H new ATOM 0 HG12 VAL A 94 106.146 -5.365 7.130 1.00 0.00 H new ATOM 0 HG13 VAL A 94 105.030 -4.620 8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.519 -4.797 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 94 103.022 -3.375 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.710 -3.218 5.751 1.00 0.00 H new ATOM 1329 N GLY A 95 107.108 -3.392 4.556 1.00 0.00 N ATOM 1330 CA GLY A 95 108.496 -3.696 4.101 1.00 0.00 C ATOM 1331 C GLY A 95 108.517 -5.043 3.374 1.00 0.00 C ATOM 1332 O GLY A 95 109.331 -5.268 2.497 1.00 0.00 O ATOM 0 H GLY A 95 106.414 -3.338 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.852 -2.908 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 95 109.172 -3.723 4.956 1.00 0.00 H new ATOM 1336 N SER A 96 107.627 -5.937 3.728 1.00 0.00 N ATOM 1337 CA SER A 96 107.592 -7.270 3.055 1.00 0.00 C ATOM 1338 C SER A 96 106.169 -7.841 3.074 1.00 0.00 C ATOM 1339 O SER A 96 105.329 -7.406 3.839 1.00 0.00 O ATOM 1340 CB SER A 96 108.533 -8.154 3.874 1.00 0.00 C ATOM 1341 OG SER A 96 107.991 -8.336 5.176 1.00 0.00 O ATOM 0 H SER A 96 106.924 -5.800 4.454 1.00 0.00 H new ATOM 0 HA SER A 96 107.895 -7.209 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.663 -9.119 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.519 -7.694 3.939 1.00 0.00 H new ATOM 0 HG SER A 96 108.591 -8.904 5.704 1.00 0.00 H new ATOM 1347 N THR A 97 105.897 -8.815 2.240 1.00 0.00 N ATOM 1348 CA THR A 97 104.530 -9.423 2.209 1.00 0.00 C ATOM 1349 C THR A 97 104.506 -10.758 2.970 1.00 0.00 C ATOM 1350 O THR A 97 103.574 -11.533 2.849 1.00 0.00 O ATOM 1351 CB THR A 97 104.222 -9.645 0.727 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.250 -10.433 0.143 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.144 -8.298 0.014 1.00 0.00 C ATOM 0 H THR A 97 106.563 -9.215 1.579 1.00 0.00 H new ATOM 0 HA THR A 97 103.792 -8.780 2.689 1.00 0.00 H new ATOM 0 HB THR A 97 103.267 -10.162 0.628 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.053 -10.577 -0.806 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.925 -8.457 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.354 -7.695 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.097 -7.779 0.112 1.00 0.00 H new ATOM 1361 N GLU A 98 105.523 -11.031 3.744 1.00 0.00 N ATOM 1362 CA GLU A 98 105.576 -12.317 4.513 1.00 0.00 C ATOM 1363 C GLU A 98 104.537 -12.327 5.639 1.00 0.00 C ATOM 1364 O GLU A 98 103.957 -13.352 5.947 1.00 0.00 O ATOM 1365 CB GLU A 98 106.987 -12.380 5.097 1.00 0.00 C ATOM 1366 CG GLU A 98 107.997 -12.615 3.974 1.00 0.00 C ATOM 1367 CD GLU A 98 109.416 -12.573 4.544 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.955 -11.484 4.660 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 109.940 -13.630 4.855 1.00 0.00 O ATOM 0 H GLU A 98 106.326 -10.417 3.880 1.00 0.00 H new ATOM 0 HA GLU A 98 105.354 -13.173 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 98 107.217 -11.451 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 98 107.052 -13.182 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.812 -13.580 3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.882 -11.854 3.202 1.00 0.00 H new ATOM 1376 N ALA A 99 104.315 -11.200 6.267 1.00 0.00 N ATOM 1377 CA ALA A 99 103.331 -11.146 7.393 1.00 0.00 C ATOM 1378 C ALA A 99 101.934 -11.558 6.918 1.00 0.00 C ATOM 1379 O ALA A 99 101.218 -12.251 7.615 1.00 0.00 O ATOM 1380 CB ALA A 99 103.327 -9.688 7.858 1.00 0.00 C ATOM 0 H ALA A 99 104.772 -10.315 6.049 1.00 0.00 H new ATOM 0 HA ALA A 99 103.603 -11.831 8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.626 -9.572 8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.327 -9.409 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 99 103.025 -9.044 7.032 1.00 0.00 H new ATOM 1386 N GLY A 100 101.540 -11.138 5.743 1.00 0.00 N ATOM 1387 CA GLY A 100 100.187 -11.506 5.229 1.00 0.00 C ATOM 1388 C GLY A 100 99.177 -10.432 5.639 1.00 0.00 C ATOM 1389 O GLY A 100 98.629 -9.734 4.807 1.00 0.00 O ATOM 0 H GLY A 100 102.097 -10.556 5.117 1.00 0.00 H new ATOM 0 HA2 GLY A 100 100.212 -11.602 4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.886 -12.475 5.627 1.00 0.00 H new ATOM 1393 N ARG A 101 98.931 -10.296 6.917 1.00 0.00 N ATOM 1394 CA ARG A 101 97.962 -9.269 7.394 1.00 0.00 C ATOM 1395 C ARG A 101 98.443 -8.656 8.712 1.00 0.00 C ATOM 1396 O ARG A 101 99.138 -9.292 9.482 1.00 0.00 O ATOM 1397 CB ARG A 101 96.647 -10.021 7.591 1.00 0.00 C ATOM 1398 CG ARG A 101 96.820 -11.130 8.631 1.00 0.00 C ATOM 1399 CD ARG A 101 95.474 -11.815 8.850 1.00 0.00 C ATOM 1400 NE ARG A 101 95.777 -13.005 9.691 1.00 0.00 N ATOM 1401 CZ ARG A 101 95.874 -12.879 10.985 1.00 0.00 C ATOM 1402 NH1 ARG A 101 97.002 -12.501 11.520 1.00 0.00 N ATOM 1403 NH2 ARG A 101 94.842 -13.129 11.745 1.00 0.00 N1+ ATOM 0 H ARG A 101 99.363 -10.856 7.652 1.00 0.00 H new ATOM 0 HA ARG A 101 97.853 -8.446 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.869 -9.329 7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.320 -10.449 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.561 -11.854 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 101 97.188 -10.714 9.569 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.769 -11.149 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 101 95.021 -12.107 7.902 1.00 0.00 H new ATOM 0 HE ARG A 101 95.909 -13.918 9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 101 97.808 -12.304 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 101 97.079 -12.402 12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 101 93.960 -13.423 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 101 94.918 -13.030 12.757 1.00 0.00 H new ATOM 1417 N VAL A 102 98.079 -7.428 8.974 1.00 0.00 N ATOM 1418 CA VAL A 102 98.514 -6.771 10.242 1.00 0.00 C ATOM 1419 C VAL A 102 97.288 -6.326 11.049 1.00 0.00 C ATOM 1420 O VAL A 102 96.468 -5.572 10.571 1.00 0.00 O ATOM 1421 CB VAL A 102 99.341 -5.560 9.793 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.868 -4.811 11.017 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.524 -6.030 8.937 1.00 0.00 C ATOM 0 H VAL A 102 97.499 -6.851 8.364 1.00 0.00 H new ATOM 0 HA VAL A 102 99.089 -7.438 10.884 1.00 0.00 H new ATOM 0 HB VAL A 102 98.708 -4.895 9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.455 -3.952 10.693 1.00 0.00 H new ATOM 0 HG12 VAL A 102 99.029 -4.470 11.624 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.496 -5.477 11.608 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.109 -5.167 8.620 1.00 0.00 H new ATOM 0 HG22 VAL A 102 101.154 -6.700 9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 102 100.151 -6.558 8.059 1.00 0.00 H new ATOM 1433 N ASP A 103 97.148 -6.806 12.259 1.00 0.00 N ATOM 1434 CA ASP A 103 95.963 -6.421 13.088 1.00 0.00 C ATOM 1435 C ASP A 103 96.267 -5.171 13.915 1.00 0.00 C ATOM 1436 O ASP A 103 97.386 -4.699 13.957 1.00 0.00 O ATOM 1437 CB ASP A 103 95.701 -7.620 13.999 1.00 0.00 C ATOM 1438 CG ASP A 103 95.320 -8.842 13.156 1.00 0.00 C ATOM 1439 OD1 ASP A 103 94.791 -8.654 12.072 1.00 0.00 O ATOM 1440 OD2 ASP A 103 95.568 -9.946 13.611 1.00 0.00 O1- ATOM 0 H ASP A 103 97.801 -7.447 12.709 1.00 0.00 H new ATOM 0 HA ASP A 103 95.096 -6.184 12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 103 96.589 -7.839 14.591 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.900 -7.387 14.700 1.00 0.00 H new ATOM 1445 N ASN A 104 95.266 -4.627 14.571 1.00 0.00 N ATOM 1446 CA ASN A 104 95.470 -3.395 15.405 1.00 0.00 C ATOM 1447 C ASN A 104 95.975 -2.242 14.539 1.00 0.00 C ATOM 1448 O ASN A 104 96.930 -1.567 14.877 1.00 0.00 O ATOM 1449 CB ASN A 104 96.512 -3.770 16.468 1.00 0.00 C ATOM 1450 CG ASN A 104 96.526 -2.708 17.569 1.00 0.00 C ATOM 1451 OD1 ASN A 104 95.489 -2.225 17.978 1.00 0.00 O ATOM 1452 ND2 ASN A 104 97.667 -2.321 18.072 1.00 0.00 N ATOM 0 H ASN A 104 94.311 -4.986 14.564 1.00 0.00 H new ATOM 0 HA ASN A 104 94.538 -3.064 15.863 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.278 -4.746 16.893 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.499 -3.849 16.012 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.687 -1.614 18.807 1.00 0.00 H new ATOM 0 HD22 ASN A 104 98.539 -2.725 17.730 1.00 0.00 H new ATOM 1459 N VAL A 105 95.335 -2.021 13.420 1.00 0.00 N ATOM 1460 CA VAL A 105 95.775 -0.916 12.519 1.00 0.00 C ATOM 1461 C VAL A 105 94.938 0.338 12.767 1.00 0.00 C ATOM 1462 O VAL A 105 93.724 0.303 12.674 1.00 0.00 O ATOM 1463 CB VAL A 105 95.557 -1.438 11.097 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.939 -0.360 10.069 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.408 -2.696 10.870 1.00 0.00 C ATOM 0 H VAL A 105 94.530 -2.556 13.093 1.00 0.00 H new ATOM 0 HA VAL A 105 96.815 -0.640 12.691 1.00 0.00 H new ATOM 0 HB VAL A 105 94.503 -1.687 10.971 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.779 -0.745 9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.320 0.524 10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.989 -0.094 10.193 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.250 -3.064 9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.462 -2.452 11.007 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.118 -3.466 11.585 1.00 0.00 H new ATOM 1475 N ASN A 106 95.569 1.447 13.064 1.00 0.00 N ATOM 1476 CA ASN A 106 94.784 2.692 13.294 1.00 0.00 C ATOM 1477 C ASN A 106 94.466 3.328 11.943 1.00 0.00 C ATOM 1478 O ASN A 106 95.280 3.328 11.038 1.00 0.00 O ATOM 1479 CB ASN A 106 95.663 3.598 14.153 1.00 0.00 C ATOM 1480 CG ASN A 106 95.775 3.013 15.561 1.00 0.00 C ATOM 1481 OD1 ASN A 106 94.908 2.284 16.002 1.00 0.00 O ATOM 1482 ND2 ASN A 106 96.817 3.301 16.290 1.00 0.00 N ATOM 0 H ASN A 106 96.580 1.541 13.156 1.00 0.00 H new ATOM 0 HA ASN A 106 93.836 2.507 13.799 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.653 3.692 13.707 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.237 4.600 14.197 1.00 0.00 H new ATOM 0 HD21 ASN A 106 96.904 2.915 17.230 1.00 0.00 H new ATOM 0 HD22 ASN A 106 97.545 3.913 15.920 1.00 0.00 H new ATOM 1489 N TYR A 107 93.277 3.839 11.796 1.00 0.00 N ATOM 1490 CA TYR A 107 92.874 4.450 10.492 1.00 0.00 C ATOM 1491 C TYR A 107 92.142 5.776 10.697 1.00 0.00 C ATOM 1492 O TYR A 107 91.363 5.933 11.617 1.00 0.00 O ATOM 1493 CB TYR A 107 91.939 3.419 9.843 1.00 0.00 C ATOM 1494 CG TYR A 107 90.801 3.085 10.783 1.00 0.00 C ATOM 1495 CD1 TYR A 107 90.964 2.073 11.735 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.589 3.784 10.705 1.00 0.00 C ATOM 1497 CE1 TYR A 107 89.921 1.759 12.611 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.543 3.469 11.582 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.710 2.457 12.535 1.00 0.00 C ATOM 1500 OH TYR A 107 87.680 2.147 13.402 1.00 0.00 O ATOM 0 H TYR A 107 92.562 3.862 12.523 1.00 0.00 H new ATOM 0 HA TYR A 107 93.742 4.675 9.873 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.544 3.813 8.907 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.496 2.515 9.598 1.00 0.00 H new ATOM 0 HD1 TYR A 107 91.898 1.533 11.793 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.461 4.565 9.970 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.049 0.978 13.346 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.608 4.007 11.523 1.00 0.00 H new ATOM 0 HH TYR A 107 86.911 2.725 13.216 1.00 0.00 H new ATOM 1510 N VAL A 108 92.395 6.731 9.837 1.00 0.00 N ATOM 1511 CA VAL A 108 91.723 8.060 9.964 1.00 0.00 C ATOM 1512 C VAL A 108 91.491 8.688 8.585 1.00 0.00 C ATOM 1513 O VAL A 108 92.290 8.539 7.680 1.00 0.00 O ATOM 1514 CB VAL A 108 92.680 8.925 10.793 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.853 8.310 12.182 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.047 9.004 10.105 1.00 0.00 C ATOM 0 H VAL A 108 93.039 6.647 9.051 1.00 0.00 H new ATOM 0 HA VAL A 108 90.744 7.970 10.435 1.00 0.00 H new ATOM 0 HB VAL A 108 92.262 9.928 10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.533 8.926 12.770 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.885 8.260 12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.264 7.305 12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.719 9.620 10.702 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.464 8.002 10.008 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.931 9.446 9.115 1.00 0.00 H new ATOM 1526 N GLN A 109 90.409 9.405 8.433 1.00 0.00 N ATOM 1527 CA GLN A 109 90.112 10.074 7.129 1.00 0.00 C ATOM 1528 C GLN A 109 91.058 11.254 6.918 1.00 0.00 C ATOM 1529 O GLN A 109 91.336 12.012 7.828 1.00 0.00 O ATOM 1530 CB GLN A 109 88.670 10.569 7.248 1.00 0.00 C ATOM 1531 CG GLN A 109 88.227 11.191 5.924 1.00 0.00 C ATOM 1532 CD GLN A 109 86.751 11.586 6.013 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.346 12.263 6.937 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.924 11.182 5.087 1.00 0.00 N ATOM 0 H GLN A 109 89.712 9.558 9.162 1.00 0.00 H new ATOM 0 HA GLN A 109 90.242 9.398 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.012 9.741 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.593 11.303 8.050 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.836 12.067 5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.376 10.482 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.265 10.614 4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.937 11.435 5.139 1.00 0.00 H new ATOM 1543 N VAL A 110 91.551 11.411 5.717 1.00 0.00 N ATOM 1544 CA VAL A 110 92.477 12.540 5.424 1.00 0.00 C ATOM 1545 C VAL A 110 92.014 13.297 4.173 1.00 0.00 C ATOM 1546 O VAL A 110 91.234 12.792 3.389 1.00 0.00 O ATOM 1547 CB VAL A 110 93.854 11.904 5.204 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.297 11.190 6.482 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.782 10.890 4.058 1.00 0.00 C ATOM 0 H VAL A 110 91.350 10.802 4.924 1.00 0.00 H new ATOM 0 HA VAL A 110 92.504 13.265 6.237 1.00 0.00 H new ATOM 0 HB VAL A 110 94.571 12.685 4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.276 10.738 6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.356 11.909 7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.575 10.413 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.764 10.442 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.062 10.111 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.469 11.395 3.144 1.00 0.00 H new ATOM 1559 N ASP A 111 92.488 14.503 3.985 1.00 0.00 N ATOM 1560 CA ASP A 111 92.073 15.299 2.786 1.00 0.00 C ATOM 1561 C ASP A 111 92.453 14.559 1.499 1.00 0.00 C ATOM 1562 O ASP A 111 93.463 13.885 1.435 1.00 0.00 O ATOM 1563 CB ASP A 111 92.840 16.617 2.894 1.00 0.00 C ATOM 1564 CG ASP A 111 92.287 17.442 4.058 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.108 17.311 4.350 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 93.051 18.196 4.637 1.00 0.00 O ATOM 0 H ASP A 111 93.144 14.972 4.609 1.00 0.00 H new ATOM 0 HA ASP A 111 90.995 15.459 2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.901 16.420 3.047 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.751 17.178 1.964 1.00 0.00 H new ATOM 1571 N LEU A 112 91.637 14.672 0.482 1.00 0.00 N ATOM 1572 CA LEU A 112 91.922 13.969 -0.808 1.00 0.00 C ATOM 1573 C LEU A 112 93.259 14.426 -1.402 1.00 0.00 C ATOM 1574 O LEU A 112 93.990 13.640 -1.976 1.00 0.00 O ATOM 1575 CB LEU A 112 90.771 14.346 -1.740 1.00 0.00 C ATOM 1576 CG LEU A 112 90.963 13.665 -3.101 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.602 13.354 -3.719 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.739 14.597 -4.033 1.00 0.00 C ATOM 0 H LEU A 112 90.780 15.225 0.489 1.00 0.00 H new ATOM 0 HA LEU A 112 91.998 12.891 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.821 14.042 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.732 15.428 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 112 91.519 12.738 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.743 12.870 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.046 12.689 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.044 14.280 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.876 14.113 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.182 15.524 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.713 14.819 -3.597 1.00 0.00 H new ATOM 1590 N SER A 113 93.569 15.692 -1.290 1.00 0.00 N ATOM 1591 CA SER A 113 94.848 16.211 -1.871 1.00 0.00 C ATOM 1592 C SER A 113 96.041 15.437 -1.309 1.00 0.00 C ATOM 1593 O SER A 113 96.983 15.141 -2.012 1.00 0.00 O ATOM 1594 CB SER A 113 94.916 17.678 -1.446 1.00 0.00 C ATOM 1595 OG SER A 113 93.869 18.399 -2.084 1.00 0.00 O ATOM 0 H SER A 113 92.993 16.391 -0.821 1.00 0.00 H new ATOM 0 HA SER A 113 94.879 16.099 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 113 94.823 17.760 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 113 95.883 18.103 -1.716 1.00 0.00 H new ATOM 0 HG SER A 113 93.908 19.340 -1.813 1.00 0.00 H new ATOM 1601 N ASN A 114 96.006 15.112 -0.047 1.00 0.00 N ATOM 1602 CA ASN A 114 97.133 14.353 0.578 1.00 0.00 C ATOM 1603 C ASN A 114 97.329 13.000 -0.113 1.00 0.00 C ATOM 1604 O ASN A 114 98.445 12.568 -0.330 1.00 0.00 O ATOM 1605 CB ASN A 114 96.730 14.155 2.040 1.00 0.00 C ATOM 1606 CG ASN A 114 96.779 15.498 2.772 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.490 16.398 2.369 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.045 15.676 3.835 1.00 0.00 N ATOM 0 H ASN A 114 95.240 15.340 0.586 1.00 0.00 H new ATOM 0 HA ASN A 114 98.077 14.890 0.486 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.726 13.734 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.402 13.443 2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.068 16.569 4.327 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.448 14.922 4.175 1.00 0.00 H new ATOM 1615 N CYS A 115 96.260 12.330 -0.460 1.00 0.00 N ATOM 1616 CA CYS A 115 96.396 11.002 -1.141 1.00 0.00 C ATOM 1617 C CYS A 115 97.120 11.152 -2.479 1.00 0.00 C ATOM 1618 O CYS A 115 98.033 10.409 -2.786 1.00 0.00 O ATOM 1619 CB CYS A 115 94.965 10.525 -1.389 1.00 0.00 C ATOM 1620 SG CYS A 115 94.127 10.269 0.190 1.00 0.00 S ATOM 0 H CYS A 115 95.301 12.641 -0.303 1.00 0.00 H new ATOM 0 HA CYS A 115 96.972 10.303 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.424 11.261 -1.984 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.975 9.597 -1.961 1.00 0.00 H new ATOM 1625 N ILE A 116 96.702 12.093 -3.283 1.00 0.00 N ATOM 1626 CA ILE A 116 97.346 12.280 -4.619 1.00 0.00 C ATOM 1627 C ILE A 116 98.767 12.835 -4.462 1.00 0.00 C ATOM 1628 O ILE A 116 99.675 12.435 -5.167 1.00 0.00 O ATOM 1629 CB ILE A 116 96.441 13.263 -5.370 1.00 0.00 C ATOM 1630 CG1 ILE A 116 95.039 12.665 -5.504 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.999 13.533 -6.767 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.075 13.730 -6.030 1.00 0.00 C ATOM 0 H ILE A 116 95.943 12.741 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 116 97.447 11.340 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 116 96.398 14.198 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 116 95.060 11.812 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.696 12.295 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.347 14.233 -7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.998 13.961 -6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 116 97.050 12.598 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.077 13.302 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 116 94.046 14.569 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.415 14.078 -7.005 1.00 0.00 H new ATOM 1644 N ASN A 117 98.964 13.752 -3.549 1.00 0.00 N ATOM 1645 CA ASN A 117 100.329 14.334 -3.351 1.00 0.00 C ATOM 1646 C ASN A 117 101.303 13.253 -2.871 1.00 0.00 C ATOM 1647 O ASN A 117 102.446 13.208 -3.283 1.00 0.00 O ATOM 1648 CB ASN A 117 100.160 15.412 -2.279 1.00 0.00 C ATOM 1649 CG ASN A 117 99.370 16.591 -2.854 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.307 16.771 -4.055 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.760 17.409 -2.041 1.00 0.00 N ATOM 0 H ASN A 117 98.241 14.123 -2.933 1.00 0.00 H new ATOM 0 HA ASN A 117 100.735 14.743 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.640 15.000 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.136 15.750 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.231 18.198 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.812 17.260 -1.033 1.00 0.00 H new ATOM 1658 N GLY A 118 100.854 12.391 -1.996 1.00 0.00 N ATOM 1659 CA GLY A 118 101.741 11.312 -1.469 1.00 0.00 C ATOM 1660 C GLY A 118 102.032 10.285 -2.566 1.00 0.00 C ATOM 1661 O GLY A 118 103.165 9.889 -2.766 1.00 0.00 O ATOM 0 H GLY A 118 99.905 12.388 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.675 11.743 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.265 10.823 -0.619 1.00 0.00 H new ATOM 1665 N ALA A 119 101.019 9.845 -3.270 1.00 0.00 N ATOM 1666 CA ALA A 119 101.236 8.832 -4.349 1.00 0.00 C ATOM 1667 C ALA A 119 102.191 9.379 -5.414 1.00 0.00 C ATOM 1668 O ALA A 119 103.047 8.674 -5.912 1.00 0.00 O ATOM 1669 CB ALA A 119 99.852 8.575 -4.949 1.00 0.00 C ATOM 0 H ALA A 119 100.052 10.143 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 119 101.686 7.917 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.933 7.840 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA A 119 99.184 8.196 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.451 9.506 -5.351 1.00 0.00 H new ATOM 1675 N ASN A 120 102.053 10.637 -5.763 1.00 0.00 N ATOM 1676 CA ASN A 120 102.952 11.253 -6.797 1.00 0.00 C ATOM 1677 C ASN A 120 102.968 10.409 -8.080 1.00 0.00 C ATOM 1678 O ASN A 120 102.180 10.700 -8.965 1.00 0.00 O ATOM 1679 CB ASN A 120 104.342 11.284 -6.159 1.00 0.00 C ATOM 1680 CG ASN A 120 105.245 12.250 -6.932 1.00 0.00 C ATOM 1681 OD1 ASN A 120 104.768 13.111 -7.644 1.00 0.00 O ATOM 1682 ND2 ASN A 120 106.541 12.141 -6.819 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.767 9.490 -8.152 1.00 0.00 O ATOM 0 H ASN A 120 101.353 11.269 -5.375 1.00 0.00 H new ATOM 0 HA ASN A 120 102.612 12.248 -7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 120 104.267 11.596 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 120 104.776 10.284 -6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 120 107.153 12.779 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 120 106.942 11.418 -6.221 1.00 0.00 H new