USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 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 64 THR OG1 : rot 180:sc= 0.117 USER MOD Set 1.2: A 70 SER OG : rot -129:sc= -0.596 USER MOD Single : A 1 VAL N :NH3+ 129:sc= -1.38 (180deg=-2.04!) USER MOD Single : A 2 SER OG : rot -117:sc= -0.525 USER MOD Single : A 4 SER OG : rot -130:sc= 0.134 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -2.64 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 144:sc= -2.03! (180deg=-5.16!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 82:sc= 1.38 USER MOD Single : A 22 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.4) USER MOD Single : A 25 HIS : no HE2:sc= -3.12 X(o=-3.1,f=-3!) USER MOD Single : A 28 MET CE :methyl 156:sc= -1.87 (180deg=-4.18!) USER MOD Single : A 30 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.6!) 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= -0.868 K(o=-0.87,f=-3.1!) USER MOD Single : A 54 SER OG : rot 120:sc= -0.595 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -99:sc= 1.69 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 69 ASN : amide:sc= -2.52 K(o=-2.5,f=-3.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -1.96 K(o=-2,f=-12!) USER MOD Single : A 86 ASN : amide:sc= -6.1 K(o=-6.1,f=-13!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 85:sc= -0.785 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= -0.12 (180deg=-0.221) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : A 104 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.2!) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0786 USER MOD Single : A 114 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.5!) USER MOD Single : A 117 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.9!) USER MOD Single : A 120 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.654 -1.950 13.409 1.00 0.00 N ATOM 2 CA VAL A 1 91.193 -2.831 12.295 1.00 0.00 C ATOM 3 C VAL A 1 92.354 -3.682 11.774 1.00 0.00 C ATOM 4 O VAL A 1 93.503 -3.471 12.125 1.00 0.00 O ATOM 5 CB VAL A 1 90.718 -1.885 11.177 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.496 -1.083 11.632 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.848 -0.919 10.800 1.00 0.00 C ATOM 0 H1 VAL A 1 91.365 -0.969 13.218 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.228 -2.269 14.303 1.00 0.00 H new ATOM 0 H3 VAL A 1 92.690 -1.998 13.483 1.00 0.00 H new ATOM 0 HA VAL A 1 90.404 -3.505 12.628 1.00 0.00 H new ATOM 0 HB VAL A 1 90.443 -2.486 10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.176 -0.420 10.828 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.685 -1.767 11.884 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.756 -0.490 12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.507 -0.252 10.008 1.00 0.00 H new ATOM 0 HG22 VAL A 1 92.131 -0.331 11.673 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.710 -1.487 10.450 1.00 0.00 H new ATOM 17 N SER A 2 92.054 -4.641 10.937 1.00 0.00 N ATOM 18 CA SER A 2 93.116 -5.509 10.361 1.00 0.00 C ATOM 19 C SER A 2 93.247 -5.210 8.865 1.00 0.00 C ATOM 20 O SER A 2 92.263 -5.057 8.165 1.00 0.00 O ATOM 21 CB SER A 2 92.640 -6.940 10.590 1.00 0.00 C ATOM 22 OG SER A 2 92.519 -7.178 11.986 1.00 0.00 O ATOM 0 H SER A 2 91.107 -4.860 10.627 1.00 0.00 H new ATOM 0 HA SER A 2 94.092 -5.344 10.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.680 -7.099 10.098 1.00 0.00 H new ATOM 0 HB3 SER A 2 93.345 -7.645 10.149 1.00 0.00 H new ATOM 0 HG SER A 2 93.149 -7.879 12.254 1.00 0.00 H new ATOM 28 N ILE A 3 94.455 -5.123 8.376 1.00 0.00 N ATOM 29 CA ILE A 3 94.668 -4.830 6.928 1.00 0.00 C ATOM 30 C ILE A 3 95.209 -6.065 6.210 1.00 0.00 C ATOM 31 O ILE A 3 95.955 -6.843 6.770 1.00 0.00 O ATOM 32 CB ILE A 3 95.699 -3.693 6.879 1.00 0.00 C ATOM 33 CG1 ILE A 3 97.008 -4.128 7.544 1.00 0.00 C ATOM 34 CG2 ILE A 3 95.145 -2.470 7.611 1.00 0.00 C ATOM 35 CD1 ILE A 3 98.112 -3.134 7.182 1.00 0.00 C ATOM 0 H ILE A 3 95.309 -5.243 8.921 1.00 0.00 H new ATOM 0 HA ILE A 3 93.737 -4.551 6.434 1.00 0.00 H new ATOM 0 HB ILE A 3 95.896 -3.445 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.883 -4.172 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.282 -5.130 7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.877 -1.663 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.223 -2.145 7.130 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.940 -2.730 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 3 99.046 -3.440 7.653 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.242 -3.112 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.836 -2.140 7.534 1.00 0.00 H new ATOM 47 N SER A 4 94.843 -6.237 4.973 1.00 0.00 N ATOM 48 CA SER A 4 95.325 -7.401 4.181 1.00 0.00 C ATOM 49 C SER A 4 95.550 -6.936 2.746 1.00 0.00 C ATOM 50 O SER A 4 95.410 -5.763 2.449 1.00 0.00 O ATOM 51 CB SER A 4 94.199 -8.428 4.247 1.00 0.00 C ATOM 52 OG SER A 4 94.393 -9.269 5.376 1.00 0.00 O ATOM 0 H SER A 4 94.219 -5.609 4.468 1.00 0.00 H new ATOM 0 HA SER A 4 96.258 -7.823 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.235 -7.923 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.181 -9.024 3.334 1.00 0.00 H new ATOM 0 HG SER A 4 94.325 -10.207 5.101 1.00 0.00 H new ATOM 58 N TYR A 5 95.874 -7.831 1.850 1.00 0.00 N ATOM 59 CA TYR A 5 96.079 -7.405 0.435 1.00 0.00 C ATOM 60 C TYR A 5 95.551 -8.464 -0.539 1.00 0.00 C ATOM 61 O TYR A 5 95.559 -9.646 -0.246 1.00 0.00 O ATOM 62 CB TYR A 5 97.592 -7.217 0.277 1.00 0.00 C ATOM 63 CG TYR A 5 98.319 -8.507 0.578 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.557 -9.432 -0.446 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.760 -8.776 1.879 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.235 -10.625 -0.168 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.439 -9.966 2.156 1.00 0.00 C ATOM 68 CZ TYR A 5 99.677 -10.892 1.134 1.00 0.00 C ATOM 69 OH TYR A 5 100.348 -12.067 1.409 1.00 0.00 O ATOM 0 H TYR A 5 96.004 -8.826 2.033 1.00 0.00 H new ATOM 0 HA TYR A 5 95.536 -6.487 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.820 -6.892 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.939 -6.432 0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.218 -9.225 -1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.575 -8.064 2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.417 -11.339 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.780 -10.171 3.160 1.00 0.00 H new ATOM 0 HH TYR A 5 100.585 -12.094 2.360 1.00 0.00 H new ATOM 79 N ASP A 6 95.102 -8.048 -1.701 1.00 0.00 N ATOM 80 CA ASP A 6 94.586 -9.025 -2.704 1.00 0.00 C ATOM 81 C ASP A 6 95.290 -8.804 -4.056 1.00 0.00 C ATOM 82 O ASP A 6 95.742 -7.711 -4.334 1.00 0.00 O ATOM 83 CB ASP A 6 93.088 -8.741 -2.814 1.00 0.00 C ATOM 84 CG ASP A 6 92.326 -10.063 -2.920 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.251 -10.763 -1.923 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.830 -10.354 -3.996 1.00 0.00 O ATOM 0 H ASP A 6 95.072 -7.072 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 6 94.772 -10.059 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.748 -8.182 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.887 -8.122 -3.688 1.00 0.00 H new ATOM 91 N PRO A 7 95.389 -9.852 -4.849 1.00 0.00 N ATOM 92 CA PRO A 7 96.077 -9.746 -6.158 1.00 0.00 C ATOM 93 C PRO A 7 95.154 -9.223 -7.272 1.00 0.00 C ATOM 94 O PRO A 7 95.621 -8.893 -8.348 1.00 0.00 O ATOM 95 CB PRO A 7 96.484 -11.185 -6.453 1.00 0.00 C ATOM 96 CG PRO A 7 95.517 -12.048 -5.698 1.00 0.00 C ATOM 97 CD PRO A 7 94.890 -11.213 -4.606 1.00 0.00 C ATOM 0 HA PRO A 7 96.908 -9.042 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.440 -11.392 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.509 -11.375 -6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.750 -12.435 -6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.030 -12.909 -5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 7 93.802 -11.251 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.179 -11.571 -3.618 1.00 0.00 H new ATOM 105 N ILE A 8 93.861 -9.158 -7.050 1.00 0.00 N ATOM 106 CA ILE A 8 92.946 -8.673 -8.138 1.00 0.00 C ATOM 107 C ILE A 8 93.129 -7.171 -8.393 1.00 0.00 C ATOM 108 O ILE A 8 93.087 -6.731 -9.527 1.00 0.00 O ATOM 109 CB ILE A 8 91.508 -9.005 -7.692 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.107 -8.177 -6.466 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.401 -10.493 -7.351 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.614 -8.364 -6.206 1.00 0.00 C ATOM 0 H ILE A 8 93.403 -9.416 -6.176 1.00 0.00 H new ATOM 0 HA ILE A 8 93.174 -9.165 -9.084 1.00 0.00 H new ATOM 0 HB ILE A 8 90.834 -8.762 -8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.683 -8.491 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.331 -7.123 -6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.383 -10.722 -7.036 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.651 -11.087 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.093 -10.732 -6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.320 -7.778 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.049 -8.030 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.406 -9.418 -6.021 1.00 0.00 H new ATOM 124 N TYR A 9 93.302 -6.382 -7.365 1.00 0.00 N ATOM 125 CA TYR A 9 93.453 -4.908 -7.580 1.00 0.00 C ATOM 126 C TYR A 9 94.818 -4.560 -8.182 1.00 0.00 C ATOM 127 O TYR A 9 95.621 -3.853 -7.615 1.00 0.00 O ATOM 128 CB TYR A 9 93.218 -4.243 -6.226 1.00 0.00 C ATOM 129 CG TYR A 9 91.781 -4.460 -5.825 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.753 -4.002 -6.656 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.475 -5.123 -4.631 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.419 -4.206 -6.295 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.138 -5.327 -4.272 1.00 0.00 C ATOM 134 CZ TYR A 9 89.112 -4.869 -5.103 1.00 0.00 C ATOM 135 OH TYR A 9 87.801 -5.079 -4.748 1.00 0.00 O ATOM 0 H TYR A 9 93.345 -6.689 -6.393 1.00 0.00 H new ATOM 0 HA TYR A 9 92.728 -4.541 -8.307 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.888 -4.665 -5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.437 -3.177 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.991 -3.491 -7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.268 -5.476 -3.989 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.625 -3.852 -6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.899 -5.839 -3.352 1.00 0.00 H new ATOM 0 HH TYR A 9 87.766 -5.554 -3.892 1.00 0.00 H new ATOM 145 N ALA A 10 95.019 -5.019 -9.388 1.00 0.00 N ATOM 146 CA ALA A 10 96.257 -4.715 -10.160 1.00 0.00 C ATOM 147 C ALA A 10 95.904 -3.679 -11.228 1.00 0.00 C ATOM 148 O ALA A 10 94.756 -3.319 -11.402 1.00 0.00 O ATOM 149 CB ALA A 10 96.715 -6.034 -10.782 1.00 0.00 C ATOM 0 H ALA A 10 94.354 -5.611 -9.885 1.00 0.00 H new ATOM 0 HA ALA A 10 97.057 -4.306 -9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.623 -5.867 -11.361 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.916 -6.758 -9.992 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.933 -6.419 -11.436 1.00 0.00 H new ATOM 155 N ALA A 11 96.899 -3.143 -11.882 1.00 0.00 N ATOM 156 CA ALA A 11 96.655 -2.058 -12.880 1.00 0.00 C ATOM 157 C ALA A 11 95.733 -2.486 -14.020 1.00 0.00 C ATOM 158 O ALA A 11 94.991 -1.663 -14.528 1.00 0.00 O ATOM 159 CB ALA A 11 98.034 -1.679 -13.421 1.00 0.00 C ATOM 0 H ALA A 11 97.877 -3.411 -11.768 1.00 0.00 H new ATOM 0 HA ALA A 11 96.146 -1.221 -12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.929 -0.885 -14.161 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.663 -1.331 -12.602 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.494 -2.550 -13.887 1.00 0.00 H new ATOM 165 N ASP A 12 95.775 -3.721 -14.475 1.00 0.00 N ATOM 166 CA ASP A 12 94.889 -4.076 -15.628 1.00 0.00 C ATOM 167 C ASP A 12 93.502 -4.529 -15.154 1.00 0.00 C ATOM 168 O ASP A 12 92.698 -5.000 -15.936 1.00 0.00 O ATOM 169 CB ASP A 12 95.615 -5.188 -16.381 1.00 0.00 C ATOM 170 CG ASP A 12 96.864 -4.621 -17.056 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.798 -3.501 -17.537 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.866 -5.317 -17.084 1.00 0.00 O ATOM 0 H ASP A 12 96.363 -4.472 -14.112 1.00 0.00 H new ATOM 0 HA ASP A 12 94.710 -3.214 -16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.892 -5.986 -15.692 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.953 -5.627 -17.128 1.00 0.00 H new ATOM 177 N LEU A 13 93.211 -4.380 -13.887 1.00 0.00 N ATOM 178 CA LEU A 13 91.875 -4.788 -13.361 1.00 0.00 C ATOM 179 C LEU A 13 90.810 -3.834 -13.888 1.00 0.00 C ATOM 180 O LEU A 13 90.877 -2.637 -13.674 1.00 0.00 O ATOM 181 CB LEU A 13 91.984 -4.665 -11.836 1.00 0.00 C ATOM 182 CG LEU A 13 90.660 -5.088 -11.193 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.456 -6.591 -11.383 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.691 -4.765 -9.701 1.00 0.00 C ATOM 0 H LEU A 13 93.846 -3.991 -13.190 1.00 0.00 H new ATOM 0 HA LEU A 13 91.600 -5.798 -13.666 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.796 -5.292 -11.467 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.223 -3.638 -11.560 1.00 0.00 H new ATOM 0 HG LEU A 13 89.840 -4.547 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.513 -6.891 -10.925 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.432 -6.823 -12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.277 -7.132 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.748 -5.066 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.512 -5.305 -9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.835 -3.693 -9.564 1.00 0.00 H new ATOM 196 N SER A 14 89.829 -4.356 -14.571 1.00 0.00 N ATOM 197 CA SER A 14 88.756 -3.479 -15.109 1.00 0.00 C ATOM 198 C SER A 14 87.932 -2.918 -13.953 1.00 0.00 C ATOM 199 O SER A 14 87.578 -3.623 -13.027 1.00 0.00 O ATOM 200 CB SER A 14 87.907 -4.364 -16.018 1.00 0.00 C ATOM 201 OG SER A 14 88.655 -4.694 -17.181 1.00 0.00 O ATOM 0 H SER A 14 89.725 -5.349 -14.779 1.00 0.00 H new ATOM 0 HA SER A 14 89.153 -2.629 -15.664 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.613 -5.271 -15.491 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.989 -3.846 -16.296 1.00 0.00 H new ATOM 0 HG SER A 14 88.114 -5.264 -17.767 1.00 0.00 H new ATOM 207 N MET A 15 87.638 -1.649 -14.004 1.00 0.00 N ATOM 208 CA MET A 15 86.847 -1.012 -12.909 1.00 0.00 C ATOM 209 C MET A 15 85.392 -1.494 -12.925 1.00 0.00 C ATOM 210 O MET A 15 84.670 -1.311 -11.965 1.00 0.00 O ATOM 211 CB MET A 15 86.939 0.492 -13.155 1.00 0.00 C ATOM 212 CG MET A 15 88.369 0.952 -12.860 1.00 0.00 C ATOM 213 SD MET A 15 88.456 2.755 -12.910 1.00 0.00 S ATOM 214 CE MET A 15 87.508 3.065 -11.402 1.00 0.00 C ATOM 0 H MET A 15 87.912 -1.021 -14.760 1.00 0.00 H new ATOM 0 HA MET A 15 87.237 -1.277 -11.926 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.673 0.723 -14.187 1.00 0.00 H new ATOM 0 HB3 MET A 15 86.232 1.023 -12.517 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.682 0.591 -11.880 1.00 0.00 H new ATOM 0 HG3 MET A 15 89.056 0.525 -13.591 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.921 3.930 -10.884 1.00 0.00 H new ATOM 0 HE2 MET A 15 86.467 3.260 -11.660 1.00 0.00 H new ATOM 0 HE3 MET A 15 87.563 2.192 -10.751 1.00 0.00 H new ATOM 224 N GLY A 16 84.945 -2.107 -13.994 1.00 0.00 N ATOM 225 CA GLY A 16 83.535 -2.595 -14.047 1.00 0.00 C ATOM 226 C GLY A 16 83.352 -3.784 -13.100 1.00 0.00 C ATOM 227 O GLY A 16 82.239 -4.158 -12.782 1.00 0.00 O ATOM 0 H GLY A 16 85.497 -2.290 -14.832 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.853 -1.791 -13.769 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.282 -2.890 -15.066 1.00 0.00 H new ATOM 231 N SER A 17 84.427 -4.392 -12.657 1.00 0.00 N ATOM 232 CA SER A 17 84.307 -5.564 -11.747 1.00 0.00 C ATOM 233 C SER A 17 84.254 -5.137 -10.275 1.00 0.00 C ATOM 234 O SER A 17 84.045 -5.964 -9.406 1.00 0.00 O ATOM 235 CB SER A 17 85.562 -6.394 -12.010 1.00 0.00 C ATOM 236 OG SER A 17 85.303 -7.753 -11.686 1.00 0.00 O ATOM 0 H SER A 17 85.383 -4.123 -12.890 1.00 0.00 H new ATOM 0 HA SER A 17 83.387 -6.118 -11.934 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.857 -6.307 -13.056 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.393 -6.018 -11.413 1.00 0.00 H new ATOM 0 HG SER A 17 86.106 -8.288 -11.855 1.00 0.00 H new ATOM 242 N VAL A 18 84.449 -3.871 -9.973 1.00 0.00 N ATOM 243 CA VAL A 18 84.414 -3.447 -8.542 1.00 0.00 C ATOM 244 C VAL A 18 83.032 -2.894 -8.177 1.00 0.00 C ATOM 245 O VAL A 18 82.213 -2.612 -9.033 1.00 0.00 O ATOM 246 CB VAL A 18 85.502 -2.375 -8.400 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.192 -1.176 -9.306 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.564 -1.914 -6.948 1.00 0.00 C ATOM 0 H VAL A 18 84.628 -3.127 -10.648 1.00 0.00 H new ATOM 0 HA VAL A 18 84.596 -4.282 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 18 86.461 -2.799 -8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 18 85.973 -0.424 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.152 -1.505 -10.344 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.231 -0.746 -9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.336 -1.152 -6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.600 -1.497 -6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.801 -2.763 -6.307 1.00 0.00 H new ATOM 258 N ALA A 19 82.772 -2.756 -6.903 1.00 0.00 N ATOM 259 CA ALA A 19 81.444 -2.241 -6.451 1.00 0.00 C ATOM 260 C ALA A 19 81.186 -0.837 -7.003 1.00 0.00 C ATOM 261 O ALA A 19 80.097 -0.539 -7.432 1.00 0.00 O ATOM 262 CB ALA A 19 81.523 -2.206 -4.923 1.00 0.00 C ATOM 0 H ALA A 19 83.425 -2.979 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 19 80.628 -2.871 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.581 -1.837 -4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.711 -3.211 -4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.333 -1.545 -4.616 1.00 0.00 H new ATOM 268 N CYS A 20 82.173 0.024 -6.990 1.00 0.00 N ATOM 269 CA CYS A 20 81.968 1.415 -7.513 1.00 0.00 C ATOM 270 C CYS A 20 81.974 1.410 -9.048 1.00 0.00 C ATOM 271 O CYS A 20 82.907 1.872 -9.677 1.00 0.00 O ATOM 272 CB CYS A 20 83.151 2.221 -6.967 1.00 0.00 C ATOM 273 SG CYS A 20 82.863 2.592 -5.214 1.00 0.00 S ATOM 0 H CYS A 20 83.111 -0.173 -6.641 1.00 0.00 H new ATOM 0 HA CYS A 20 81.012 1.838 -7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.076 1.656 -7.084 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.268 3.146 -7.532 1.00 0.00 H new ATOM 278 N SER A 21 80.936 0.884 -9.651 1.00 0.00 N ATOM 279 CA SER A 21 80.858 0.831 -11.140 1.00 0.00 C ATOM 280 C SER A 21 79.816 1.828 -11.656 1.00 0.00 C ATOM 281 O SER A 21 78.631 1.677 -11.431 1.00 0.00 O ATOM 282 CB SER A 21 80.439 -0.603 -11.464 1.00 0.00 C ATOM 283 OG SER A 21 79.433 -1.018 -10.550 1.00 0.00 O ATOM 0 H SER A 21 80.131 0.485 -9.167 1.00 0.00 H new ATOM 0 HA SER A 21 81.805 1.095 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 21 80.064 -0.662 -12.486 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.300 -1.268 -11.401 1.00 0.00 H new ATOM 0 HG SER A 21 78.563 -0.676 -10.844 1.00 0.00 H new ATOM 289 N ASN A 22 80.259 2.855 -12.331 1.00 0.00 N ATOM 290 CA ASN A 22 79.333 3.898 -12.865 1.00 0.00 C ATOM 291 C ASN A 22 78.413 4.426 -11.750 1.00 0.00 C ATOM 292 O ASN A 22 78.854 4.630 -10.635 1.00 0.00 O ATOM 293 CB ASN A 22 78.573 3.226 -14.011 1.00 0.00 C ATOM 294 CG ASN A 22 78.137 4.283 -15.030 1.00 0.00 C ATOM 295 OD1 ASN A 22 78.015 5.446 -14.702 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.901 3.923 -16.261 1.00 0.00 N ATOM 0 H ASN A 22 81.244 3.019 -12.539 1.00 0.00 H new ATOM 0 HA ASN A 22 79.859 4.778 -13.234 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.206 2.481 -14.493 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.701 2.700 -13.623 1.00 0.00 H new ATOM 0 HD21 ASN A 22 77.614 4.618 -16.950 1.00 0.00 H new ATOM 0 HD22 ASN A 22 78.004 2.946 -16.535 1.00 0.00 H new ATOM 303 N GLY A 23 77.159 4.656 -12.028 1.00 0.00 N ATOM 304 CA GLY A 23 76.253 5.181 -10.968 1.00 0.00 C ATOM 305 C GLY A 23 76.705 6.591 -10.587 1.00 0.00 C ATOM 306 O GLY A 23 77.341 7.282 -11.362 1.00 0.00 O ATOM 0 H GLY A 23 76.724 4.504 -12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.224 5.199 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.276 4.529 -10.095 1.00 0.00 H new ATOM 310 N ASP A 24 76.373 7.020 -9.400 1.00 0.00 N ATOM 311 CA ASP A 24 76.769 8.393 -8.950 1.00 0.00 C ATOM 312 C ASP A 24 78.262 8.478 -8.608 1.00 0.00 C ATOM 313 O ASP A 24 78.909 9.465 -8.909 1.00 0.00 O ATOM 314 CB ASP A 24 75.932 8.648 -7.694 1.00 0.00 C ATOM 315 CG ASP A 24 74.456 8.823 -8.071 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.187 9.188 -9.205 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.618 8.588 -7.216 1.00 0.00 O1- ATOM 0 H ASP A 24 75.842 6.479 -8.717 1.00 0.00 H new ATOM 0 HA ASP A 24 76.597 9.128 -9.736 1.00 0.00 H new ATOM 0 HB2 ASP A 24 76.042 7.815 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.293 9.540 -7.182 1.00 0.00 H new ATOM 322 N HIS A 25 78.811 7.482 -7.956 1.00 0.00 N ATOM 323 CA HIS A 25 80.260 7.550 -7.568 1.00 0.00 C ATOM 324 C HIS A 25 81.139 6.757 -8.539 1.00 0.00 C ATOM 325 O HIS A 25 82.308 6.541 -8.276 1.00 0.00 O ATOM 326 CB HIS A 25 80.352 6.914 -6.176 1.00 0.00 C ATOM 327 CG HIS A 25 79.337 7.518 -5.244 1.00 0.00 C ATOM 328 ND1 HIS A 25 79.455 8.803 -4.740 1.00 0.00 N ATOM 329 CD2 HIS A 25 78.174 7.015 -4.728 1.00 0.00 C ATOM 330 CE1 HIS A 25 78.386 9.028 -3.955 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.571 7.969 -3.913 1.00 0.00 N ATOM 0 H HIS A 25 78.325 6.630 -7.676 1.00 0.00 H new ATOM 0 HA HIS A 25 80.609 8.582 -7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 25 80.189 5.839 -6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 25 81.354 7.057 -5.772 1.00 0.00 H new ATOM 0 HD1 HIS A 25 80.213 9.458 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.783 6.027 -4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 25 78.208 9.951 -3.424 1.00 0.00 H new ATOM 339 N GLY A 26 80.599 6.312 -9.646 1.00 0.00 N ATOM 340 CA GLY A 26 81.417 5.522 -10.612 1.00 0.00 C ATOM 341 C GLY A 26 82.646 6.315 -11.046 1.00 0.00 C ATOM 342 O GLY A 26 82.557 7.460 -11.448 1.00 0.00 O ATOM 0 H GLY A 26 79.628 6.462 -9.921 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.726 4.583 -10.153 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.815 5.267 -11.484 1.00 0.00 H new ATOM 346 N LEU A 27 83.785 5.691 -10.986 1.00 0.00 N ATOM 347 CA LEU A 27 85.044 6.362 -11.413 1.00 0.00 C ATOM 348 C LEU A 27 85.436 5.901 -12.829 1.00 0.00 C ATOM 349 O LEU A 27 86.365 6.418 -13.419 1.00 0.00 O ATOM 350 CB LEU A 27 86.087 5.936 -10.382 1.00 0.00 C ATOM 351 CG LEU A 27 85.677 6.456 -9.002 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.628 5.904 -7.940 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.737 7.985 -8.991 1.00 0.00 C ATOM 0 H LEU A 27 83.901 4.733 -10.656 1.00 0.00 H new ATOM 0 HA LEU A 27 84.947 7.447 -11.458 1.00 0.00 H new ATOM 0 HB2 LEU A 27 86.173 4.850 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 27 87.066 6.329 -10.655 1.00 0.00 H new ATOM 0 HG LEU A 27 84.660 6.129 -8.783 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.333 6.276 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.584 4.815 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.646 6.227 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.445 8.354 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.753 8.311 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 85.056 8.381 -9.744 1.00 0.00 H new ATOM 365 N MET A 28 84.721 4.943 -13.384 1.00 0.00 N ATOM 366 CA MET A 28 85.032 4.460 -14.764 1.00 0.00 C ATOM 367 C MET A 28 84.907 5.621 -15.755 1.00 0.00 C ATOM 368 O MET A 28 85.632 5.706 -16.726 1.00 0.00 O ATOM 369 CB MET A 28 83.976 3.386 -15.063 1.00 0.00 C ATOM 370 CG MET A 28 84.194 2.809 -16.468 1.00 0.00 C ATOM 371 SD MET A 28 85.417 1.478 -16.396 1.00 0.00 S ATOM 372 CE MET A 28 84.324 0.204 -15.717 1.00 0.00 C ATOM 0 H MET A 28 83.933 4.477 -12.934 1.00 0.00 H new ATOM 0 HA MET A 28 86.044 4.065 -14.848 1.00 0.00 H new ATOM 0 HB2 MET A 28 84.036 2.590 -14.321 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.977 3.816 -14.989 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.253 2.430 -16.866 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.534 3.593 -17.145 1.00 0.00 H new ATOM 0 HE1 MET A 28 84.711 -0.782 -15.974 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.278 0.304 -14.633 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.324 0.322 -16.135 1.00 0.00 H new ATOM 382 N ALA A 29 83.958 6.495 -15.525 1.00 0.00 N ATOM 383 CA ALA A 29 83.731 7.644 -16.461 1.00 0.00 C ATOM 384 C ALA A 29 85.035 8.400 -16.763 1.00 0.00 C ATOM 385 O ALA A 29 85.568 8.309 -17.853 1.00 0.00 O ATOM 386 CB ALA A 29 82.739 8.555 -15.736 1.00 0.00 C ATOM 0 H ALA A 29 83.326 6.463 -14.725 1.00 0.00 H new ATOM 0 HA ALA A 29 83.356 7.301 -17.425 1.00 0.00 H new ATOM 0 HB1 ALA A 29 82.520 9.423 -16.358 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.817 8.007 -15.541 1.00 0.00 H new ATOM 0 HB3 ALA A 29 83.171 8.885 -14.792 1.00 0.00 H new ATOM 392 N GLN A 30 85.546 9.149 -15.813 1.00 0.00 N ATOM 393 CA GLN A 30 86.811 9.913 -16.060 1.00 0.00 C ATOM 394 C GLN A 30 87.994 8.955 -16.164 1.00 0.00 C ATOM 395 O GLN A 30 88.885 9.133 -16.972 1.00 0.00 O ATOM 396 CB GLN A 30 86.988 10.818 -14.843 1.00 0.00 C ATOM 397 CG GLN A 30 85.930 11.913 -14.859 1.00 0.00 C ATOM 398 CD GLN A 30 85.982 12.697 -13.543 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.500 12.216 -12.553 1.00 0.00 O ATOM 400 NE2 GLN A 30 85.467 13.894 -13.490 1.00 0.00 N ATOM 0 H GLN A 30 85.144 9.264 -14.883 1.00 0.00 H new ATOM 0 HA GLN A 30 86.762 10.480 -16.990 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.905 10.232 -13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.984 11.261 -14.849 1.00 0.00 H new ATOM 0 HG2 GLN A 30 86.100 12.584 -15.701 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.941 11.475 -14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 30 85.032 14.299 -14.319 1.00 0.00 H new ATOM 0 HE22 GLN A 30 85.499 14.425 -12.620 1.00 0.00 H new ATOM 409 N TYR A 31 88.010 7.952 -15.331 1.00 0.00 N ATOM 410 CA TYR A 31 89.137 6.976 -15.342 1.00 0.00 C ATOM 411 C TYR A 31 88.592 5.570 -15.631 1.00 0.00 C ATOM 412 O TYR A 31 88.026 4.955 -14.755 1.00 0.00 O ATOM 413 CB TYR A 31 89.736 7.049 -13.931 1.00 0.00 C ATOM 414 CG TYR A 31 90.112 8.481 -13.616 1.00 0.00 C ATOM 415 CD1 TYR A 31 91.335 8.996 -14.052 1.00 0.00 C ATOM 416 CD2 TYR A 31 89.227 9.292 -12.897 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.677 10.324 -13.772 1.00 0.00 C ATOM 418 CE2 TYR A 31 89.568 10.621 -12.614 1.00 0.00 C ATOM 419 CZ TYR A 31 90.794 11.136 -13.051 1.00 0.00 C ATOM 420 OH TYR A 31 91.130 12.446 -12.774 1.00 0.00 O ATOM 0 H TYR A 31 87.286 7.765 -14.638 1.00 0.00 H new ATOM 0 HA TYR A 31 89.882 7.197 -16.106 1.00 0.00 H new ATOM 0 HB2 TYR A 31 89.016 6.681 -13.199 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.615 6.408 -13.864 1.00 0.00 H new ATOM 0 HD1 TYR A 31 92.018 8.369 -14.606 1.00 0.00 H new ATOM 0 HD2 TYR A 31 88.281 8.894 -12.560 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.622 10.722 -14.112 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.886 11.248 -12.059 1.00 0.00 H new ATOM 0 HH TYR A 31 90.406 12.869 -12.267 1.00 0.00 H new ATOM 430 N PRO A 32 88.753 5.106 -16.852 1.00 0.00 N ATOM 431 CA PRO A 32 88.230 3.763 -17.214 1.00 0.00 C ATOM 432 C PRO A 32 89.077 2.646 -16.590 1.00 0.00 C ATOM 433 O PRO A 32 88.617 1.532 -16.427 1.00 0.00 O ATOM 434 CB PRO A 32 88.328 3.735 -18.735 1.00 0.00 C ATOM 435 CG PRO A 32 89.406 4.714 -19.076 1.00 0.00 C ATOM 436 CD PRO A 32 89.416 5.760 -17.992 1.00 0.00 C ATOM 0 HA PRO A 32 87.216 3.598 -16.850 1.00 0.00 H new ATOM 0 HB2 PRO A 32 88.575 2.736 -19.095 1.00 0.00 H new ATOM 0 HB3 PRO A 32 87.381 4.016 -19.196 1.00 0.00 H new ATOM 0 HG2 PRO A 32 90.373 4.215 -19.138 1.00 0.00 H new ATOM 0 HG3 PRO A 32 89.219 5.169 -20.048 1.00 0.00 H new ATOM 0 HD2 PRO A 32 90.432 6.063 -17.741 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.882 6.659 -18.301 1.00 0.00 H new ATOM 444 N THR A 33 90.310 2.931 -16.248 1.00 0.00 N ATOM 445 CA THR A 33 91.184 1.878 -15.645 1.00 0.00 C ATOM 446 C THR A 33 91.701 2.323 -14.275 1.00 0.00 C ATOM 447 O THR A 33 91.983 3.484 -14.050 1.00 0.00 O ATOM 448 CB THR A 33 92.345 1.715 -16.623 1.00 0.00 C ATOM 449 OG1 THR A 33 91.837 1.465 -17.926 1.00 0.00 O ATOM 450 CG2 THR A 33 93.221 0.543 -16.179 1.00 0.00 C ATOM 0 H THR A 33 90.748 3.845 -16.360 1.00 0.00 H new ATOM 0 HA THR A 33 90.644 0.944 -15.489 1.00 0.00 H new ATOM 0 HB THR A 33 92.940 2.628 -16.638 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.583 1.362 -18.554 1.00 0.00 H new ATOM 0 HG21 THR A 33 94.051 0.425 -16.876 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.611 0.738 -15.180 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.626 -0.370 -16.164 1.00 0.00 H new ATOM 458 N LEU A 34 91.825 1.393 -13.363 1.00 0.00 N ATOM 459 CA LEU A 34 92.324 1.731 -11.995 1.00 0.00 C ATOM 460 C LEU A 34 93.777 2.214 -12.069 1.00 0.00 C ATOM 461 O LEU A 34 94.647 1.489 -12.516 1.00 0.00 O ATOM 462 CB LEU A 34 92.252 0.410 -11.217 1.00 0.00 C ATOM 463 CG LEU A 34 92.742 0.622 -9.782 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.760 1.526 -9.037 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.831 -0.730 -9.069 1.00 0.00 C ATOM 0 H LEU A 34 91.601 0.408 -13.508 1.00 0.00 H new ATOM 0 HA LEU A 34 91.741 2.524 -11.526 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.227 0.038 -11.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.862 -0.346 -11.711 1.00 0.00 H new ATOM 0 HG LEU A 34 93.726 1.090 -9.799 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.108 1.677 -8.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.695 2.488 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.776 1.058 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.180 -0.580 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.847 -1.198 -9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.530 -1.376 -9.600 1.00 0.00 H new ATOM 477 N GLY A 35 94.053 3.412 -11.629 1.00 0.00 N ATOM 478 CA GLY A 35 95.461 3.917 -11.673 1.00 0.00 C ATOM 479 C GLY A 35 95.493 5.441 -11.833 1.00 0.00 C ATOM 480 O GLY A 35 96.406 5.984 -12.427 1.00 0.00 O ATOM 0 H GLY A 35 93.369 4.063 -11.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.982 3.633 -10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.993 3.449 -12.501 1.00 0.00 H new ATOM 484 N GLU A 36 94.523 6.136 -11.293 1.00 0.00 N ATOM 485 CA GLU A 36 94.510 7.620 -11.394 1.00 0.00 C ATOM 486 C GLU A 36 93.687 8.213 -10.254 1.00 0.00 C ATOM 487 O GLU A 36 94.128 9.123 -9.575 1.00 0.00 O ATOM 488 CB GLU A 36 93.865 7.922 -12.738 1.00 0.00 C ATOM 489 CG GLU A 36 94.928 7.845 -13.832 1.00 0.00 C ATOM 490 CD GLU A 36 94.428 8.546 -15.096 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.803 7.885 -15.909 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 94.679 9.733 -15.230 1.00 0.00 O ATOM 0 H GLU A 36 93.736 5.733 -10.784 1.00 0.00 H new ATOM 0 HA GLU A 36 95.509 8.050 -11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.066 7.209 -12.940 1.00 0.00 H new ATOM 0 HB3 GLU A 36 93.412 8.913 -12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.851 8.312 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.161 6.803 -14.052 1.00 0.00 H new ATOM 499 N VAL A 37 92.503 7.698 -10.024 1.00 0.00 N ATOM 500 CA VAL A 37 91.669 8.229 -8.905 1.00 0.00 C ATOM 501 C VAL A 37 92.416 7.968 -7.576 1.00 0.00 C ATOM 502 O VAL A 37 92.763 8.901 -6.880 1.00 0.00 O ATOM 503 CB VAL A 37 90.317 7.484 -9.022 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.603 7.396 -7.663 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.419 8.237 -10.016 1.00 0.00 C ATOM 0 H VAL A 37 92.082 6.939 -10.559 1.00 0.00 H new ATOM 0 HA VAL A 37 91.489 9.303 -8.942 1.00 0.00 H new ATOM 0 HB VAL A 37 90.512 6.469 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.657 6.867 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.233 6.858 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.411 8.401 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.463 7.721 -10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.250 9.252 -9.657 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.905 8.273 -10.991 1.00 0.00 H new ATOM 515 N PRO A 38 92.687 6.711 -7.288 1.00 0.00 N ATOM 516 CA PRO A 38 93.456 6.374 -6.064 1.00 0.00 C ATOM 517 C PRO A 38 94.924 6.748 -6.287 1.00 0.00 C ATOM 518 O PRO A 38 95.641 7.109 -5.375 1.00 0.00 O ATOM 519 CB PRO A 38 93.314 4.857 -5.952 1.00 0.00 C ATOM 520 CG PRO A 38 93.048 4.389 -7.344 1.00 0.00 C ATOM 521 CD PRO A 38 92.322 5.500 -8.049 1.00 0.00 C ATOM 0 HA PRO A 38 93.110 6.894 -5.171 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.221 4.405 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.498 4.586 -5.282 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.981 4.152 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.448 3.479 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.629 5.577 -9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.244 5.337 -8.045 1.00 0.00 H new ATOM 529 N GLY A 39 95.363 6.634 -7.512 1.00 0.00 N ATOM 530 CA GLY A 39 96.774 6.942 -7.865 1.00 0.00 C ATOM 531 C GLY A 39 97.307 5.758 -8.670 1.00 0.00 C ATOM 532 O GLY A 39 97.607 5.877 -9.840 1.00 0.00 O ATOM 0 H GLY A 39 94.787 6.333 -8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.833 7.861 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.371 7.096 -6.966 1.00 0.00 H new ATOM 536 N PHE A 40 97.364 4.609 -8.032 1.00 0.00 N ATOM 537 CA PHE A 40 97.813 3.318 -8.674 1.00 0.00 C ATOM 538 C PHE A 40 98.161 2.279 -7.581 1.00 0.00 C ATOM 539 O PHE A 40 97.653 1.176 -7.615 1.00 0.00 O ATOM 540 CB PHE A 40 99.031 3.606 -9.605 1.00 0.00 C ATOM 541 CG PHE A 40 99.732 2.317 -10.019 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.989 1.152 -10.275 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.125 2.295 -10.149 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.640 -0.026 -10.657 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.775 1.115 -10.532 1.00 0.00 C ATOM 546 CZ PHE A 40 101.033 -0.045 -10.786 1.00 0.00 C ATOM 0 H PHE A 40 97.107 4.507 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 40 97.009 2.900 -9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.694 4.140 -10.493 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.738 4.257 -9.091 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.914 1.166 -10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.699 3.189 -9.954 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.067 -0.921 -10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.850 1.100 -10.632 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.536 -0.954 -11.081 1.00 0.00 H new ATOM 556 N PRO A 41 99.029 2.644 -6.650 1.00 0.00 N ATOM 557 CA PRO A 41 99.440 1.715 -5.578 1.00 0.00 C ATOM 558 C PRO A 41 98.693 2.012 -4.269 1.00 0.00 C ATOM 559 O PRO A 41 99.067 1.528 -3.217 1.00 0.00 O ATOM 560 CB PRO A 41 100.917 2.062 -5.410 1.00 0.00 C ATOM 561 CG PRO A 41 101.052 3.491 -5.879 1.00 0.00 C ATOM 562 CD PRO A 41 99.724 3.915 -6.471 1.00 0.00 C ATOM 0 HA PRO A 41 99.238 0.670 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.228 1.959 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.546 1.395 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.324 4.141 -5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.845 3.575 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.179 4.584 -5.804 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.852 4.442 -7.416 1.00 0.00 H new ATOM 570 N ASN A 42 97.656 2.812 -4.318 1.00 0.00 N ATOM 571 CA ASN A 42 96.906 3.151 -3.078 1.00 0.00 C ATOM 572 C ASN A 42 95.429 2.820 -3.262 1.00 0.00 C ATOM 573 O ASN A 42 94.562 3.644 -3.041 1.00 0.00 O ATOM 574 CB ASN A 42 97.109 4.657 -2.901 1.00 0.00 C ATOM 575 CG ASN A 42 98.412 4.919 -2.135 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.024 4.006 -1.613 1.00 0.00 O ATOM 577 ND2 ASN A 42 98.865 6.138 -2.042 1.00 0.00 N ATOM 0 H ASN A 42 97.298 3.245 -5.170 1.00 0.00 H new ATOM 0 HA ASN A 42 97.250 2.591 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.144 5.145 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.266 5.086 -2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 42 99.729 6.323 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.355 6.906 -2.478 1.00 0.00 H new ATOM 584 N VAL A 43 95.145 1.616 -3.673 1.00 0.00 N ATOM 585 CA VAL A 43 93.732 1.204 -3.888 1.00 0.00 C ATOM 586 C VAL A 43 93.427 -0.074 -3.104 1.00 0.00 C ATOM 587 O VAL A 43 94.215 -1.009 -3.073 1.00 0.00 O ATOM 588 CB VAL A 43 93.605 0.970 -5.400 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.481 -0.213 -5.840 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.139 0.687 -5.741 1.00 0.00 C ATOM 0 H VAL A 43 95.838 0.894 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 43 93.024 1.957 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 43 93.943 1.861 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.377 -0.363 -6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.524 -0.002 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.165 -1.115 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.041 0.520 -6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.805 -0.200 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.526 1.540 -5.449 1.00 0.00 H new ATOM 600 N GLY A 44 92.288 -0.107 -2.468 1.00 0.00 N ATOM 601 CA GLY A 44 91.904 -1.304 -1.675 1.00 0.00 C ATOM 602 C GLY A 44 90.417 -1.250 -1.328 1.00 0.00 C ATOM 603 O GLY A 44 89.753 -0.254 -1.539 1.00 0.00 O ATOM 0 H GLY A 44 91.604 0.650 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.120 -2.210 -2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.497 -1.350 -0.762 1.00 0.00 H new ATOM 607 N GLY A 45 89.900 -2.322 -0.784 1.00 0.00 N ATOM 608 CA GLY A 45 88.461 -2.359 -0.401 1.00 0.00 C ATOM 609 C GLY A 45 88.316 -1.840 1.027 1.00 0.00 C ATOM 610 O GLY A 45 89.266 -1.844 1.793 1.00 0.00 O ATOM 0 H GLY A 45 90.419 -3.178 -0.588 1.00 0.00 H new ATOM 0 HA2 GLY A 45 87.873 -1.748 -1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.078 -3.377 -0.473 1.00 0.00 H new ATOM 614 N ILE A 46 87.131 -1.424 1.399 1.00 0.00 N ATOM 615 CA ILE A 46 86.904 -0.921 2.785 1.00 0.00 C ATOM 616 C ILE A 46 85.476 -1.271 3.258 1.00 0.00 C ATOM 617 O ILE A 46 84.605 -1.528 2.451 1.00 0.00 O ATOM 618 CB ILE A 46 87.100 0.599 2.724 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.188 1.212 1.661 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.552 0.910 2.378 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.897 2.671 2.027 1.00 0.00 C ATOM 0 H ILE A 46 86.308 -1.412 0.797 1.00 0.00 H new ATOM 0 HA ILE A 46 87.594 -1.378 3.494 1.00 0.00 H new ATOM 0 HB ILE A 46 86.849 1.024 3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 46 86.664 1.158 0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.257 0.649 1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 46 88.692 1.990 2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.206 0.490 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 46 88.797 0.473 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.247 3.113 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.404 2.711 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.833 3.229 2.071 1.00 0.00 H new ATOM 633 N PRO A 47 85.292 -1.285 4.560 1.00 0.00 N ATOM 634 CA PRO A 47 83.967 -1.634 5.164 1.00 0.00 C ATOM 635 C PRO A 47 82.887 -0.565 4.939 1.00 0.00 C ATOM 636 O PRO A 47 81.716 -0.831 5.151 1.00 0.00 O ATOM 637 CB PRO A 47 84.279 -1.712 6.658 1.00 0.00 C ATOM 638 CG PRO A 47 85.470 -0.838 6.843 1.00 0.00 C ATOM 639 CD PRO A 47 86.293 -0.980 5.599 1.00 0.00 C ATOM 0 HA PRO A 47 83.566 -2.545 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.437 -1.365 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.488 -2.737 6.966 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.171 0.199 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.040 -1.138 7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 47 86.841 -0.065 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.030 -1.778 5.694 1.00 0.00 H new ATOM 647 N ASP A 48 83.245 0.639 4.567 1.00 0.00 N ATOM 648 CA ASP A 48 82.201 1.703 4.399 1.00 0.00 C ATOM 649 C ASP A 48 81.630 1.748 2.977 1.00 0.00 C ATOM 650 O ASP A 48 81.009 2.722 2.592 1.00 0.00 O ATOM 651 CB ASP A 48 82.900 3.013 4.751 1.00 0.00 C ATOM 652 CG ASP A 48 83.211 3.038 6.249 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.333 2.693 7.022 1.00 0.00 O ATOM 654 OD2 ASP A 48 84.324 3.398 6.596 1.00 0.00 O1- ATOM 0 H ASP A 48 84.203 0.931 4.374 1.00 0.00 H new ATOM 0 HA ASP A 48 81.343 1.507 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.821 3.113 4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.266 3.859 4.486 1.00 0.00 H new ATOM 659 N ILE A 49 81.790 0.700 2.209 1.00 0.00 N ATOM 660 CA ILE A 49 81.202 0.691 0.833 1.00 0.00 C ATOM 661 C ILE A 49 80.211 -0.473 0.720 1.00 0.00 C ATOM 662 O ILE A 49 80.545 -1.612 0.984 1.00 0.00 O ATOM 663 CB ILE A 49 82.381 0.551 -0.131 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.325 1.750 0.074 1.00 0.00 C ATOM 665 CG2 ILE A 49 81.860 0.539 -1.575 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.505 1.676 -0.902 1.00 0.00 C ATOM 0 H ILE A 49 82.298 -0.144 2.472 1.00 0.00 H new ATOM 0 HA ILE A 49 80.646 1.599 0.601 1.00 0.00 H new ATOM 0 HB ILE A 49 82.917 -0.379 0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 49 82.778 2.681 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 49 83.694 1.759 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.699 0.439 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.179 -0.301 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.332 1.470 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 49 85.162 2.531 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 49 85.061 0.754 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 49 84.132 1.690 -1.926 1.00 0.00 H new ATOM 678 N ALA A 50 78.977 -0.183 0.375 1.00 0.00 N ATOM 679 CA ALA A 50 77.935 -1.253 0.296 1.00 0.00 C ATOM 680 C ALA A 50 77.958 -2.026 -1.022 1.00 0.00 C ATOM 681 O ALA A 50 77.831 -3.238 -1.014 1.00 0.00 O ATOM 682 CB ALA A 50 76.603 -0.517 0.453 1.00 0.00 C ATOM 0 H ALA A 50 78.648 0.754 0.144 1.00 0.00 H new ATOM 0 HA ALA A 50 78.108 -2.005 1.066 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.783 -1.234 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.582 -0.004 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.493 0.212 -0.350 1.00 0.00 H new ATOM 688 N GLY A 51 78.094 -1.367 -2.151 1.00 0.00 N ATOM 689 CA GLY A 51 78.087 -2.145 -3.425 1.00 0.00 C ATOM 690 C GLY A 51 78.242 -1.259 -4.666 1.00 0.00 C ATOM 691 O GLY A 51 79.202 -0.529 -4.818 1.00 0.00 O ATOM 0 H GLY A 51 78.206 -0.357 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 51 78.896 -2.876 -3.403 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.154 -2.704 -3.498 1.00 0.00 H new ATOM 695 N TRP A 52 77.312 -1.386 -5.580 1.00 0.00 N ATOM 696 CA TRP A 52 77.359 -0.639 -6.882 1.00 0.00 C ATOM 697 C TRP A 52 77.833 0.815 -6.766 1.00 0.00 C ATOM 698 O TRP A 52 78.482 1.308 -7.670 1.00 0.00 O ATOM 699 CB TRP A 52 75.939 -0.664 -7.436 1.00 0.00 C ATOM 700 CG TRP A 52 76.022 -0.305 -8.884 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.721 -1.003 -9.808 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.429 0.824 -9.587 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.599 -0.374 -11.032 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.810 0.754 -10.949 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.606 1.891 -9.183 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.392 1.709 -11.875 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.181 2.853 -10.115 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.574 2.762 -11.458 1.00 0.00 C ATOM 0 H TRP A 52 76.499 -1.993 -5.477 1.00 0.00 H new ATOM 0 HA TRP A 52 78.090 -1.124 -7.529 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.494 -1.651 -7.309 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.305 0.042 -6.900 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.283 -1.906 -9.620 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.039 -0.703 -11.891 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.299 1.971 -8.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.699 1.635 -12.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.548 3.667 -9.795 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.245 3.505 -12.169 1.00 0.00 H new ATOM 719 N ASP A 53 77.556 1.511 -5.689 1.00 0.00 N ATOM 720 CA ASP A 53 78.046 2.925 -5.577 1.00 0.00 C ATOM 721 C ASP A 53 77.730 3.478 -4.190 1.00 0.00 C ATOM 722 O ASP A 53 76.802 4.243 -4.005 1.00 0.00 O ATOM 723 CB ASP A 53 77.323 3.729 -6.672 1.00 0.00 C ATOM 724 CG ASP A 53 75.801 3.673 -6.473 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.343 2.834 -5.711 1.00 0.00 O ATOM 726 OD2 ASP A 53 75.117 4.472 -7.090 1.00 0.00 O1- ATOM 0 H ASP A 53 77.019 1.169 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 53 79.126 2.987 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 53 77.659 4.766 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 53 77.581 3.330 -7.653 1.00 0.00 H new ATOM 731 N SER A 54 78.497 3.083 -3.211 1.00 0.00 N ATOM 732 CA SER A 54 78.253 3.567 -1.822 1.00 0.00 C ATOM 733 C SER A 54 78.435 5.087 -1.761 1.00 0.00 C ATOM 734 O SER A 54 79.146 5.648 -2.569 1.00 0.00 O ATOM 735 CB SER A 54 79.306 2.868 -0.965 1.00 0.00 C ATOM 736 OG SER A 54 80.559 3.524 -1.117 1.00 0.00 O ATOM 0 H SER A 54 79.285 2.444 -3.313 1.00 0.00 H new ATOM 0 HA SER A 54 77.242 3.349 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 54 79.003 2.879 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 54 79.394 1.822 -1.260 1.00 0.00 H new ATOM 0 HG SER A 54 80.861 3.858 -0.247 1.00 0.00 H new ATOM 742 N PRO A 55 77.793 5.712 -0.802 1.00 0.00 N ATOM 743 CA PRO A 55 77.914 7.181 -0.666 1.00 0.00 C ATOM 744 C PRO A 55 79.331 7.573 -0.228 1.00 0.00 C ATOM 745 O PRO A 55 79.707 8.728 -0.292 1.00 0.00 O ATOM 746 CB PRO A 55 76.886 7.532 0.411 1.00 0.00 C ATOM 747 CG PRO A 55 76.715 6.275 1.198 1.00 0.00 C ATOM 748 CD PRO A 55 76.915 5.137 0.233 1.00 0.00 C ATOM 0 HA PRO A 55 77.737 7.710 -1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.237 8.349 1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 55 75.943 7.853 -0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.438 6.225 2.012 1.00 0.00 H new ATOM 0 HG3 PRO A 55 75.724 6.231 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.376 4.277 0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 55 75.969 4.797 -0.188 1.00 0.00 H new ATOM 756 N SER A 56 80.116 6.622 0.236 1.00 0.00 N ATOM 757 CA SER A 56 81.497 6.950 0.696 1.00 0.00 C ATOM 758 C SER A 56 82.558 6.552 -0.347 1.00 0.00 C ATOM 759 O SER A 56 83.736 6.612 -0.072 1.00 0.00 O ATOM 760 CB SER A 56 81.682 6.134 1.974 1.00 0.00 C ATOM 761 OG SER A 56 81.039 6.801 3.052 1.00 0.00 O ATOM 0 H SER A 56 79.855 5.639 0.313 1.00 0.00 H new ATOM 0 HA SER A 56 81.619 8.022 0.854 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.263 5.136 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.743 6.009 2.189 1.00 0.00 H new ATOM 0 HG SER A 56 81.154 6.280 3.874 1.00 0.00 H new ATOM 767 N CYS A 57 82.165 6.141 -1.530 1.00 0.00 N ATOM 768 CA CYS A 57 83.185 5.745 -2.556 1.00 0.00 C ATOM 769 C CYS A 57 84.019 6.965 -2.969 1.00 0.00 C ATOM 770 O CYS A 57 83.512 8.067 -3.067 1.00 0.00 O ATOM 771 CB CYS A 57 82.384 5.206 -3.745 1.00 0.00 C ATOM 772 SG CYS A 57 83.513 4.493 -4.973 1.00 0.00 S ATOM 0 H CYS A 57 81.193 6.063 -1.828 1.00 0.00 H new ATOM 0 HA CYS A 57 83.881 4.998 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.676 4.450 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 57 81.801 6.009 -4.196 1.00 0.00 H new ATOM 777 N GLY A 58 85.292 6.773 -3.220 1.00 0.00 N ATOM 778 CA GLY A 58 86.163 7.912 -3.636 1.00 0.00 C ATOM 779 C GLY A 58 86.716 8.647 -2.407 1.00 0.00 C ATOM 780 O GLY A 58 87.357 9.674 -2.538 1.00 0.00 O ATOM 0 H GLY A 58 85.765 5.872 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 58 86.987 7.543 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.593 8.605 -4.255 1.00 0.00 H new ATOM 784 N THR A 59 86.484 8.138 -1.219 1.00 0.00 N ATOM 785 CA THR A 59 87.009 8.819 0.004 1.00 0.00 C ATOM 786 C THR A 59 88.499 8.541 0.188 1.00 0.00 C ATOM 787 O THR A 59 89.046 7.583 -0.323 1.00 0.00 O ATOM 788 CB THR A 59 86.218 8.239 1.176 1.00 0.00 C ATOM 789 OG1 THR A 59 86.214 6.816 1.078 1.00 0.00 O ATOM 790 CG2 THR A 59 84.790 8.798 1.150 1.00 0.00 C ATOM 0 H THR A 59 85.955 7.283 -1.046 1.00 0.00 H new ATOM 0 HA THR A 59 86.895 9.901 -0.070 1.00 0.00 H new ATOM 0 HB THR A 59 86.680 8.521 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 59 85.372 6.518 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 59 84.223 8.386 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 59 84.823 9.884 1.234 1.00 0.00 H new ATOM 0 HG23 THR A 59 84.308 8.521 0.212 1.00 0.00 H new ATOM 798 N CYS A 60 89.145 9.401 0.922 1.00 0.00 N ATOM 799 CA CYS A 60 90.606 9.258 1.181 1.00 0.00 C ATOM 800 C CYS A 60 90.842 8.721 2.596 1.00 0.00 C ATOM 801 O CYS A 60 90.457 9.341 3.569 1.00 0.00 O ATOM 802 CB CYS A 60 91.148 10.685 1.058 1.00 0.00 C ATOM 803 SG CYS A 60 92.943 10.680 1.276 1.00 0.00 S ATOM 0 H CYS A 60 88.714 10.214 1.363 1.00 0.00 H new ATOM 0 HA CYS A 60 91.090 8.564 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.892 11.098 0.082 1.00 0.00 H new ATOM 0 HB3 CYS A 60 90.683 11.326 1.807 1.00 0.00 H new ATOM 808 N TRP A 61 91.478 7.585 2.720 1.00 0.00 N ATOM 809 CA TRP A 61 91.745 7.021 4.078 1.00 0.00 C ATOM 810 C TRP A 61 93.245 6.830 4.305 1.00 0.00 C ATOM 811 O TRP A 61 93.961 6.398 3.426 1.00 0.00 O ATOM 812 CB TRP A 61 91.030 5.672 4.103 1.00 0.00 C ATOM 813 CG TRP A 61 89.556 5.895 4.124 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.732 5.746 3.064 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.718 6.306 5.244 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.439 6.036 3.461 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.380 6.386 4.795 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.986 6.613 6.592 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.343 6.758 5.651 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.944 6.986 7.455 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.625 7.058 6.984 1.00 0.00 C ATOM 0 H TRP A 61 91.824 7.024 1.942 1.00 0.00 H new ATOM 0 HA TRP A 61 91.392 7.688 4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.308 5.084 3.228 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.336 5.102 4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.033 5.449 2.070 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.628 5.996 2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.999 6.561 6.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.329 6.813 5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.159 7.219 8.487 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.828 7.346 7.653 1.00 0.00 H new ATOM 832 N LYS A 62 93.719 7.129 5.486 1.00 0.00 N ATOM 833 CA LYS A 62 95.168 6.942 5.787 1.00 0.00 C ATOM 834 C LYS A 62 95.320 5.718 6.685 1.00 0.00 C ATOM 835 O LYS A 62 94.576 5.550 7.633 1.00 0.00 O ATOM 836 CB LYS A 62 95.597 8.207 6.529 1.00 0.00 C ATOM 837 CG LYS A 62 97.109 8.178 6.755 1.00 0.00 C ATOM 838 CD LYS A 62 97.541 9.442 7.499 1.00 0.00 C ATOM 839 CE LYS A 62 97.362 9.231 9.005 1.00 0.00 C ATOM 840 NZ LYS A 62 97.380 10.599 9.598 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.162 7.496 6.258 1.00 0.00 H new ATOM 0 HA LYS A 62 95.773 6.787 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.322 9.090 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.077 8.275 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.384 7.294 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.628 8.111 5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 62 98.582 9.672 7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.948 10.294 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.424 8.720 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 62 98.162 8.614 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 97.262 10.532 10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.288 11.059 9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 96.603 11.162 9.197 1.00 0.00 H new ATOM 854 N VAL A 63 96.256 4.854 6.387 1.00 0.00 N ATOM 855 CA VAL A 63 96.432 3.626 7.218 1.00 0.00 C ATOM 856 C VAL A 63 97.755 3.688 7.994 1.00 0.00 C ATOM 857 O VAL A 63 98.804 3.895 7.424 1.00 0.00 O ATOM 858 CB VAL A 63 96.433 2.467 6.212 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.609 1.137 6.950 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.105 2.452 5.446 1.00 0.00 C ATOM 0 H VAL A 63 96.905 4.946 5.605 1.00 0.00 H new ATOM 0 HA VAL A 63 95.646 3.512 7.964 1.00 0.00 H new ATOM 0 HB VAL A 63 97.258 2.602 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.609 0.319 6.230 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.555 1.144 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.789 1.001 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.106 1.629 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.281 2.322 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 63 94.982 3.395 4.913 1.00 0.00 H new ATOM 870 N THR A 64 97.697 3.531 9.294 1.00 0.00 N ATOM 871 CA THR A 64 98.930 3.598 10.141 1.00 0.00 C ATOM 872 C THR A 64 99.190 2.246 10.823 1.00 0.00 C ATOM 873 O THR A 64 98.280 1.627 11.347 1.00 0.00 O ATOM 874 CB THR A 64 98.608 4.660 11.194 1.00 0.00 C ATOM 875 OG1 THR A 64 98.244 5.871 10.546 1.00 0.00 O ATOM 876 CG2 THR A 64 99.837 4.903 12.072 1.00 0.00 C ATOM 0 H THR A 64 96.836 3.357 9.812 1.00 0.00 H new ATOM 0 HA THR A 64 99.820 3.835 9.558 1.00 0.00 H new ATOM 0 HB THR A 64 97.782 4.315 11.816 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.036 6.552 11.219 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.605 5.660 12.821 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.118 3.975 12.569 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.665 5.248 11.452 1.00 0.00 H new ATOM 884 N ILE A 65 100.417 1.778 10.809 1.00 0.00 N ATOM 885 CA ILE A 65 100.725 0.451 11.443 1.00 0.00 C ATOM 886 C ILE A 65 101.692 0.610 12.639 1.00 0.00 C ATOM 887 O ILE A 65 102.305 1.646 12.801 1.00 0.00 O ATOM 888 CB ILE A 65 101.351 -0.386 10.318 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.587 0.328 9.761 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.328 -0.576 9.198 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.516 -0.697 9.111 1.00 0.00 C ATOM 0 H ILE A 65 101.216 2.253 10.389 1.00 0.00 H new ATOM 0 HA ILE A 65 99.834 -0.024 11.853 1.00 0.00 H new ATOM 0 HB ILE A 65 101.647 -1.357 10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.288 1.079 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.109 0.852 10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.770 -1.170 8.398 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.451 -1.091 9.590 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.032 0.397 8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.396 -0.190 8.714 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.825 -1.431 9.855 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.991 -1.201 8.300 1.00 0.00 H new ATOM 903 N PRO A 66 101.772 -0.427 13.464 1.00 0.00 N ATOM 904 CA PRO A 66 102.644 -0.398 14.682 1.00 0.00 C ATOM 905 C PRO A 66 104.138 -0.262 14.356 1.00 0.00 C ATOM 906 O PRO A 66 104.898 0.256 15.153 1.00 0.00 O ATOM 907 CB PRO A 66 102.367 -1.748 15.348 1.00 0.00 C ATOM 908 CG PRO A 66 101.880 -2.619 14.246 1.00 0.00 C ATOM 909 CD PRO A 66 101.074 -1.725 13.352 1.00 0.00 C ATOM 0 HA PRO A 66 102.421 0.465 15.309 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.268 -2.156 15.806 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.622 -1.655 16.138 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.712 -3.068 13.704 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.273 -3.438 14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.060 -2.088 12.324 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.037 -1.655 13.680 1.00 0.00 H new ATOM 917 N ASN A 67 104.571 -0.716 13.206 1.00 0.00 N ATOM 918 CA ASN A 67 106.025 -0.597 12.854 1.00 0.00 C ATOM 919 C ASN A 67 106.412 0.878 12.729 1.00 0.00 C ATOM 920 O ASN A 67 107.463 1.301 13.172 1.00 0.00 O ATOM 921 CB ASN A 67 106.181 -1.319 11.517 1.00 0.00 C ATOM 922 CG ASN A 67 106.007 -2.825 11.729 1.00 0.00 C ATOM 923 OD1 ASN A 67 105.015 -3.398 11.324 1.00 0.00 O ATOM 924 ND2 ASN A 67 106.940 -3.495 12.350 1.00 0.00 N ATOM 0 H ASN A 67 103.987 -1.161 12.498 1.00 0.00 H new ATOM 0 HA ASN A 67 106.672 -1.032 13.616 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.441 -0.953 10.805 1.00 0.00 H new ATOM 0 HB3 ASN A 67 107.163 -1.112 11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 67 106.836 -4.499 12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.773 -3.014 12.690 1.00 0.00 H new ATOM 931 N GLY A 68 105.544 1.659 12.148 1.00 0.00 N ATOM 932 CA GLY A 68 105.820 3.119 12.007 1.00 0.00 C ATOM 933 C GLY A 68 105.837 3.524 10.536 1.00 0.00 C ATOM 934 O GLY A 68 106.808 4.066 10.046 1.00 0.00 O ATOM 0 H GLY A 68 104.652 1.349 11.763 1.00 0.00 H new ATOM 0 HA2 GLY A 68 105.059 3.691 12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.779 3.359 12.467 1.00 0.00 H new ATOM 938 N ASN A 69 104.756 3.297 9.843 1.00 0.00 N ATOM 939 CA ASN A 69 104.667 3.692 8.408 1.00 0.00 C ATOM 940 C ASN A 69 103.199 3.900 8.049 1.00 0.00 C ATOM 941 O ASN A 69 102.328 3.251 8.605 1.00 0.00 O ATOM 942 CB ASN A 69 105.249 2.520 7.613 1.00 0.00 C ATOM 943 CG ASN A 69 106.751 2.401 7.873 1.00 0.00 C ATOM 944 OD1 ASN A 69 107.478 3.369 7.774 1.00 0.00 O ATOM 945 ND2 ASN A 69 107.251 1.241 8.198 1.00 0.00 N ATOM 0 H ASN A 69 103.919 2.848 10.215 1.00 0.00 H new ATOM 0 HA ASN A 69 105.206 4.615 8.193 1.00 0.00 H new ATOM 0 HB2 ASN A 69 104.749 1.594 7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 69 105.067 2.667 6.548 1.00 0.00 H new ATOM 0 HD21 ASN A 69 108.252 1.147 8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.641 0.428 8.281 1.00 0.00 H new ATOM 952 N SER A 70 102.906 4.795 7.141 1.00 0.00 N ATOM 953 CA SER A 70 101.482 5.026 6.773 1.00 0.00 C ATOM 954 C SER A 70 101.331 5.391 5.297 1.00 0.00 C ATOM 955 O SER A 70 102.142 6.089 4.721 1.00 0.00 O ATOM 956 CB SER A 70 101.016 6.169 7.670 1.00 0.00 C ATOM 957 OG SER A 70 101.023 5.736 9.025 1.00 0.00 O ATOM 0 H SER A 70 103.586 5.370 6.644 1.00 0.00 H new ATOM 0 HA SER A 70 100.885 4.125 6.915 1.00 0.00 H new ATOM 0 HB2 SER A 70 101.671 7.032 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.014 6.486 7.383 1.00 0.00 H new ATOM 0 HG SER A 70 100.157 5.937 9.437 1.00 0.00 H new ATOM 963 N ILE A 71 100.269 4.924 4.695 1.00 0.00 N ATOM 964 CA ILE A 71 99.978 5.214 3.264 1.00 0.00 C ATOM 965 C ILE A 71 98.506 5.603 3.143 1.00 0.00 C ATOM 966 O ILE A 71 97.730 5.360 4.050 1.00 0.00 O ATOM 967 CB ILE A 71 100.243 3.908 2.493 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.359 2.776 3.025 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.711 3.504 2.628 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.367 1.619 2.025 1.00 0.00 C ATOM 0 H ILE A 71 99.572 4.336 5.152 1.00 0.00 H new ATOM 0 HA ILE A 71 100.591 6.025 2.872 1.00 0.00 H new ATOM 0 HB ILE A 71 100.006 4.082 1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.725 2.437 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.341 3.134 3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.886 2.579 2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.344 4.293 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.951 3.352 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.739 0.810 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.981 1.964 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.387 1.256 1.896 1.00 0.00 H new ATOM 982 N PHE A 72 98.108 6.193 2.046 1.00 0.00 N ATOM 983 CA PHE A 72 96.673 6.573 1.911 1.00 0.00 C ATOM 984 C PHE A 72 95.979 5.637 0.917 1.00 0.00 C ATOM 985 O PHE A 72 96.435 5.445 -0.191 1.00 0.00 O ATOM 986 CB PHE A 72 96.678 8.013 1.388 1.00 0.00 C ATOM 987 CG PHE A 72 97.392 8.912 2.372 1.00 0.00 C ATOM 988 CD1 PHE A 72 96.683 9.497 3.427 1.00 0.00 C ATOM 989 CD2 PHE A 72 98.760 9.164 2.223 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.343 10.332 4.336 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.421 9.999 3.131 1.00 0.00 C ATOM 992 CZ PHE A 72 98.713 10.584 4.188 1.00 0.00 C ATOM 0 H PHE A 72 98.704 6.425 1.251 1.00 0.00 H new ATOM 0 HA PHE A 72 96.135 6.495 2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.172 8.056 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 72 95.655 8.360 1.240 1.00 0.00 H new ATOM 0 HD1 PHE A 72 95.626 9.304 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.306 8.714 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 72 96.796 10.782 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.477 10.192 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.223 11.229 4.889 1.00 0.00 H new ATOM 1002 N ILE A 73 94.879 5.056 1.318 1.00 0.00 N ATOM 1003 CA ILE A 73 94.134 4.125 0.418 1.00 0.00 C ATOM 1004 C ILE A 73 92.792 4.756 0.049 1.00 0.00 C ATOM 1005 O ILE A 73 92.069 5.214 0.916 1.00 0.00 O ATOM 1006 CB ILE A 73 93.929 2.848 1.244 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.291 2.263 1.652 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.152 1.816 0.420 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.121 1.920 0.407 1.00 0.00 C ATOM 0 H ILE A 73 94.461 5.188 2.239 1.00 0.00 H new ATOM 0 HA ILE A 73 94.664 3.914 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 73 93.362 3.094 2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 73 95.831 2.980 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.143 1.368 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.009 0.911 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.181 2.227 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.713 1.575 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.082 1.507 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.586 1.186 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.285 2.823 -0.181 1.00 0.00 H new ATOM 1021 N ARG A 74 92.449 4.802 -1.214 1.00 0.00 N ATOM 1022 CA ARG A 74 91.155 5.425 -1.602 1.00 0.00 C ATOM 1023 C ARG A 74 90.110 4.328 -1.811 1.00 0.00 C ATOM 1024 O ARG A 74 90.376 3.305 -2.412 1.00 0.00 O ATOM 1025 CB ARG A 74 91.461 6.186 -2.893 1.00 0.00 C ATOM 1026 CG ARG A 74 90.305 7.118 -3.251 1.00 0.00 C ATOM 1027 CD ARG A 74 90.654 7.857 -4.545 1.00 0.00 C ATOM 1028 NE ARG A 74 89.616 8.914 -4.687 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.905 10.022 -5.312 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.860 10.794 -4.865 1.00 0.00 N ATOM 1031 NH2 ARG A 74 89.246 10.357 -6.386 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.007 4.437 -1.986 1.00 0.00 H new ATOM 0 HA ARG A 74 90.749 6.096 -0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.378 6.763 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.632 5.481 -3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.385 6.547 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.130 7.830 -2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.652 8.291 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.645 7.180 -5.399 1.00 0.00 H new ATOM 0 HE ARG A 74 88.684 8.773 -4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.379 10.530 -4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.086 11.660 -5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.504 9.753 -6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.473 11.224 -6.874 1.00 0.00 H new ATOM 1045 N GLY A 75 88.932 4.531 -1.282 1.00 0.00 N ATOM 1046 CA GLY A 75 87.854 3.506 -1.397 1.00 0.00 C ATOM 1047 C GLY A 75 87.588 3.158 -2.860 1.00 0.00 C ATOM 1048 O GLY A 75 87.683 3.990 -3.741 1.00 0.00 O ATOM 0 H GLY A 75 88.669 5.373 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.141 2.607 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 75 86.940 3.880 -0.936 1.00 0.00 H new ATOM 1052 N VAL A 76 87.230 1.929 -3.108 1.00 0.00 N ATOM 1053 CA VAL A 76 86.923 1.470 -4.490 1.00 0.00 C ATOM 1054 C VAL A 76 85.978 0.253 -4.413 1.00 0.00 C ATOM 1055 O VAL A 76 84.997 0.180 -5.123 1.00 0.00 O ATOM 1056 CB VAL A 76 88.292 1.128 -5.129 1.00 0.00 C ATOM 1057 CG1 VAL A 76 88.808 -0.246 -4.669 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.144 1.127 -6.654 1.00 0.00 C ATOM 0 H VAL A 76 87.136 1.208 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 76 86.413 2.219 -5.095 1.00 0.00 H new ATOM 0 HB VAL A 76 89.013 1.881 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 76 89.770 -0.449 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 76 88.926 -0.246 -3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.094 -1.018 -4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.103 0.887 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.405 0.381 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.818 2.112 -6.989 1.00 0.00 H new ATOM 1068 N ASP A 77 86.252 -0.683 -3.532 1.00 0.00 N ATOM 1069 CA ASP A 77 85.371 -1.882 -3.374 1.00 0.00 C ATOM 1070 C ASP A 77 85.004 -2.057 -1.900 1.00 0.00 C ATOM 1071 O ASP A 77 85.599 -1.452 -1.033 1.00 0.00 O ATOM 1072 CB ASP A 77 86.204 -3.072 -3.832 1.00 0.00 C ATOM 1073 CG ASP A 77 85.285 -4.288 -3.999 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.090 -4.995 -3.023 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 84.785 -4.489 -5.094 1.00 0.00 O ATOM 0 H ASP A 77 87.059 -0.664 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 77 84.449 -1.785 -3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.701 -2.843 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.986 -3.288 -3.103 1.00 0.00 H new ATOM 1080 N SER A 78 84.029 -2.883 -1.614 1.00 0.00 N ATOM 1081 CA SER A 78 83.619 -3.104 -0.194 1.00 0.00 C ATOM 1082 C SER A 78 84.436 -4.242 0.425 1.00 0.00 C ATOM 1083 O SER A 78 85.022 -5.049 -0.274 1.00 0.00 O ATOM 1084 CB SER A 78 82.141 -3.483 -0.260 1.00 0.00 C ATOM 1085 OG SER A 78 82.013 -4.766 -0.859 1.00 0.00 O ATOM 0 H SER A 78 83.499 -3.415 -2.304 1.00 0.00 H new ATOM 0 HA SER A 78 83.786 -2.221 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.711 -3.492 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 78 81.589 -2.742 -0.838 1.00 0.00 H new ATOM 0 HG SER A 78 81.066 -5.014 -0.902 1.00 0.00 H new ATOM 1091 N GLY A 79 84.474 -4.309 1.732 1.00 0.00 N ATOM 1092 CA GLY A 79 85.247 -5.388 2.410 1.00 0.00 C ATOM 1093 C GLY A 79 84.361 -6.070 3.451 1.00 0.00 C ATOM 1094 O GLY A 79 83.575 -5.431 4.126 1.00 0.00 O ATOM 0 H GLY A 79 84.000 -3.659 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.594 -6.117 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.133 -4.970 2.888 1.00 0.00 H new ATOM 1098 N ARG A 80 84.499 -7.360 3.599 1.00 0.00 N ATOM 1099 CA ARG A 80 83.685 -8.099 4.615 1.00 0.00 C ATOM 1100 C ARG A 80 83.972 -7.550 6.017 1.00 0.00 C ATOM 1101 O ARG A 80 83.101 -7.499 6.864 1.00 0.00 O ATOM 1102 CB ARG A 80 84.127 -9.560 4.511 1.00 0.00 C ATOM 1103 CG ARG A 80 83.632 -10.146 3.186 1.00 0.00 C ATOM 1104 CD ARG A 80 84.032 -11.622 3.096 1.00 0.00 C ATOM 1105 NE ARG A 80 83.593 -12.057 1.740 1.00 0.00 N ATOM 1106 CZ ARG A 80 82.487 -12.735 1.596 1.00 0.00 C ATOM 1107 NH1 ARG A 80 82.450 -14.000 1.913 1.00 0.00 N ATOM 1108 NH2 ARG A 80 81.418 -12.148 1.133 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.142 -7.939 3.059 1.00 0.00 H new ATOM 0 HA ARG A 80 82.615 -7.991 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.213 -9.628 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.727 -10.133 5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.549 -10.047 3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.058 -9.592 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.107 -11.748 3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.548 -12.211 3.875 1.00 0.00 H new ATOM 0 HE ARG A 80 84.158 -11.825 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 80 83.286 -14.460 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 80 81.585 -14.529 1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 80 81.447 -11.159 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 80 80.554 -12.678 1.020 1.00 0.00 H new ATOM 1122 N GLY A 81 85.191 -7.136 6.257 1.00 0.00 N ATOM 1123 CA GLY A 81 85.547 -6.583 7.599 1.00 0.00 C ATOM 1124 C GLY A 81 87.058 -6.375 7.700 1.00 0.00 C ATOM 1125 O GLY A 81 87.751 -7.130 8.356 1.00 0.00 O ATOM 0 H GLY A 81 85.955 -7.157 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.031 -5.636 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.213 -7.264 8.382 1.00 0.00 H new ATOM 1129 N GLY A 82 87.571 -5.345 7.071 1.00 0.00 N ATOM 1130 CA GLY A 82 89.037 -5.083 7.155 1.00 0.00 C ATOM 1131 C GLY A 82 89.565 -4.497 5.844 1.00 0.00 C ATOM 1132 O GLY A 82 89.066 -4.775 4.771 1.00 0.00 O ATOM 0 H GLY A 82 87.040 -4.681 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.240 -4.393 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.563 -6.010 7.381 1.00 0.00 H new ATOM 1136 N PHE A 83 90.588 -3.693 5.940 1.00 0.00 N ATOM 1137 CA PHE A 83 91.206 -3.070 4.724 1.00 0.00 C ATOM 1138 C PHE A 83 91.860 -4.137 3.851 1.00 0.00 C ATOM 1139 O PHE A 83 92.531 -5.023 4.345 1.00 0.00 O ATOM 1140 CB PHE A 83 92.321 -2.148 5.266 1.00 0.00 C ATOM 1141 CG PHE A 83 92.087 -0.700 4.907 1.00 0.00 C ATOM 1142 CD1 PHE A 83 91.585 -0.329 3.654 1.00 0.00 C ATOM 1143 CD2 PHE A 83 92.401 0.277 5.846 1.00 0.00 C ATOM 1144 CE1 PHE A 83 91.396 1.028 3.352 1.00 0.00 C ATOM 1145 CE2 PHE A 83 92.211 1.628 5.552 1.00 0.00 C ATOM 1146 CZ PHE A 83 91.706 2.006 4.304 1.00 0.00 C ATOM 0 H PHE A 83 91.032 -3.435 6.821 1.00 0.00 H new ATOM 0 HA PHE A 83 90.459 -2.546 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.378 -2.247 6.350 1.00 0.00 H new ATOM 0 HB3 PHE A 83 93.283 -2.469 4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 83 91.344 -1.085 2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 83 92.795 -0.012 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 83 91.011 1.318 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 83 92.454 2.381 6.288 1.00 0.00 H new ATOM 0 HZ PHE A 83 91.555 3.051 4.075 1.00 0.00 H new ATOM 1156 N ASN A 84 91.728 -4.021 2.554 1.00 0.00 N ATOM 1157 CA ASN A 84 92.416 -4.991 1.652 1.00 0.00 C ATOM 1158 C ASN A 84 93.021 -4.178 0.507 1.00 0.00 C ATOM 1159 O ASN A 84 92.299 -3.502 -0.192 1.00 0.00 O ATOM 1160 CB ASN A 84 91.327 -5.945 1.155 1.00 0.00 C ATOM 1161 CG ASN A 84 91.975 -7.138 0.451 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.088 -7.045 -0.031 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.326 -8.268 0.374 1.00 0.00 N ATOM 0 H ASN A 84 91.178 -3.302 2.084 1.00 0.00 H new ATOM 0 HA ASN A 84 93.211 -5.562 2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.721 -6.289 1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.658 -5.425 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.752 -9.070 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.393 -8.349 0.777 1.00 0.00 H new ATOM 1170 N VAL A 85 94.320 -4.191 0.326 1.00 0.00 N ATOM 1171 CA VAL A 85 94.915 -3.344 -0.765 1.00 0.00 C ATOM 1172 C VAL A 85 95.872 -4.129 -1.655 1.00 0.00 C ATOM 1173 O VAL A 85 96.161 -5.283 -1.422 1.00 0.00 O ATOM 1174 CB VAL A 85 95.686 -2.233 -0.038 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.708 -1.366 0.756 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.717 -2.848 0.918 1.00 0.00 C ATOM 0 H VAL A 85 94.985 -4.738 0.872 1.00 0.00 H new ATOM 0 HA VAL A 85 94.131 -2.966 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 85 96.204 -1.619 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.257 -0.578 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 85 93.983 -0.919 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.186 -1.983 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.259 -2.052 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.206 -3.470 1.653 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.419 -3.459 0.351 1.00 0.00 H new ATOM 1186 N ASN A 86 96.376 -3.490 -2.679 1.00 0.00 N ATOM 1187 CA ASN A 86 97.334 -4.178 -3.600 1.00 0.00 C ATOM 1188 C ASN A 86 98.530 -4.723 -2.801 1.00 0.00 C ATOM 1189 O ASN A 86 98.814 -4.237 -1.724 1.00 0.00 O ATOM 1190 CB ASN A 86 97.816 -3.088 -4.560 1.00 0.00 C ATOM 1191 CG ASN A 86 96.662 -2.619 -5.445 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.517 -2.953 -5.208 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.918 -1.851 -6.467 1.00 0.00 N ATOM 0 H ASN A 86 96.166 -2.521 -2.919 1.00 0.00 H new ATOM 0 HA ASN A 86 96.870 -5.016 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.216 -2.246 -3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.627 -3.471 -5.179 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.158 -1.531 -7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.878 -1.570 -6.666 1.00 0.00 H new ATOM 1200 N PRO A 87 99.202 -5.709 -3.349 1.00 0.00 N ATOM 1201 CA PRO A 87 100.372 -6.287 -2.653 1.00 0.00 C ATOM 1202 C PRO A 87 101.531 -5.292 -2.656 1.00 0.00 C ATOM 1203 O PRO A 87 102.341 -5.298 -1.753 1.00 0.00 O ATOM 1204 CB PRO A 87 100.702 -7.541 -3.460 1.00 0.00 C ATOM 1205 CG PRO A 87 100.144 -7.280 -4.822 1.00 0.00 C ATOM 1206 CD PRO A 87 98.956 -6.368 -4.645 1.00 0.00 C ATOM 0 HA PRO A 87 100.180 -6.518 -1.605 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.778 -7.713 -3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.254 -8.428 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.894 -6.817 -5.463 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.846 -8.212 -5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.886 -5.642 -5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 87 98.021 -6.928 -4.637 1.00 0.00 H new ATOM 1214 N THR A 88 101.616 -4.424 -3.634 1.00 0.00 N ATOM 1215 CA THR A 88 102.727 -3.423 -3.647 1.00 0.00 C ATOM 1216 C THR A 88 102.504 -2.394 -2.531 1.00 0.00 C ATOM 1217 O THR A 88 103.430 -2.012 -1.841 1.00 0.00 O ATOM 1218 CB THR A 88 102.671 -2.769 -5.023 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.852 -3.760 -6.024 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.771 -1.714 -5.146 1.00 0.00 C ATOM 0 H THR A 88 100.968 -4.365 -4.420 1.00 0.00 H new ATOM 0 HA THR A 88 103.702 -3.877 -3.471 1.00 0.00 H new ATOM 0 HB THR A 88 101.701 -2.289 -5.152 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.815 -3.341 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.723 -1.252 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.630 -0.951 -4.381 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.744 -2.186 -5.013 1.00 0.00 H new ATOM 1228 N ALA A 89 101.282 -1.957 -2.340 1.00 0.00 N ATOM 1229 CA ALA A 89 101.007 -0.967 -1.251 1.00 0.00 C ATOM 1230 C ALA A 89 101.264 -1.636 0.094 1.00 0.00 C ATOM 1231 O ALA A 89 101.829 -1.048 0.997 1.00 0.00 O ATOM 1232 CB ALA A 89 99.529 -0.593 -1.405 1.00 0.00 C ATOM 0 H ALA A 89 100.469 -2.240 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 89 101.640 -0.082 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.255 0.131 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.365 -0.158 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.914 -1.487 -1.296 1.00 0.00 H new ATOM 1238 N PHE A 90 100.872 -2.870 0.216 1.00 0.00 N ATOM 1239 CA PHE A 90 101.108 -3.617 1.491 1.00 0.00 C ATOM 1240 C PHE A 90 102.609 -3.701 1.801 1.00 0.00 C ATOM 1241 O PHE A 90 103.040 -3.429 2.905 1.00 0.00 O ATOM 1242 CB PHE A 90 100.555 -5.021 1.243 1.00 0.00 C ATOM 1243 CG PHE A 90 100.608 -5.806 2.532 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.760 -6.525 2.870 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.507 -5.803 3.398 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.811 -7.244 4.070 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.558 -6.521 4.599 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.710 -7.242 4.935 1.00 0.00 C ATOM 0 H PHE A 90 100.395 -3.401 -0.513 1.00 0.00 H new ATOM 0 HA PHE A 90 100.630 -3.123 2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.529 -4.963 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.138 -5.524 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.611 -6.525 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.618 -5.247 3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.700 -7.800 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.709 -6.519 5.266 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.749 -7.796 5.861 1.00 0.00 H new ATOM 1258 N THR A 91 103.399 -4.112 0.842 1.00 0.00 N ATOM 1259 CA THR A 91 104.873 -4.264 1.074 1.00 0.00 C ATOM 1260 C THR A 91 105.515 -2.935 1.478 1.00 0.00 C ATOM 1261 O THR A 91 106.406 -2.888 2.297 1.00 0.00 O ATOM 1262 CB THR A 91 105.451 -4.730 -0.267 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.813 -5.931 -0.662 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.949 -4.995 -0.113 1.00 0.00 C ATOM 0 H THR A 91 103.087 -4.351 -0.099 1.00 0.00 H new ATOM 0 HA THR A 91 105.070 -4.968 1.883 1.00 0.00 H new ATOM 0 HB THR A 91 105.287 -3.957 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.981 -5.719 -1.134 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.360 -5.326 -1.067 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.450 -4.079 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.106 -5.769 0.638 1.00 0.00 H new ATOM 1272 N LYS A 92 105.096 -1.866 0.865 1.00 0.00 N ATOM 1273 CA LYS A 92 105.707 -0.537 1.179 1.00 0.00 C ATOM 1274 C LYS A 92 105.324 -0.068 2.584 1.00 0.00 C ATOM 1275 O LYS A 92 106.135 0.493 3.301 1.00 0.00 O ATOM 1276 CB LYS A 92 105.134 0.412 0.135 1.00 0.00 C ATOM 1277 CG LYS A 92 105.673 0.032 -1.245 1.00 0.00 C ATOM 1278 CD LYS A 92 105.102 0.981 -2.298 1.00 0.00 C ATOM 1279 CE LYS A 92 105.645 0.596 -3.675 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.805 1.352 -4.644 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.358 -1.850 0.161 1.00 0.00 H new ATOM 0 HA LYS A 92 106.796 -0.581 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.045 0.361 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.406 1.440 0.374 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.762 0.082 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.401 -0.997 -1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.013 0.931 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.374 2.010 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.697 0.862 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.571 -0.479 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.000 1.016 -5.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.800 1.204 -4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 105.028 2.366 -4.579 1.00 0.00 H new ATOM 1294 N LEU A 93 104.098 -0.282 2.976 1.00 0.00 N ATOM 1295 CA LEU A 93 103.659 0.165 4.333 1.00 0.00 C ATOM 1296 C LEU A 93 104.287 -0.697 5.433 1.00 0.00 C ATOM 1297 O LEU A 93 104.713 -0.193 6.456 1.00 0.00 O ATOM 1298 CB LEU A 93 102.136 0.009 4.327 1.00 0.00 C ATOM 1299 CG LEU A 93 101.556 0.439 5.676 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.817 1.929 5.901 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.048 0.180 5.687 1.00 0.00 C ATOM 0 H LEU A 93 103.381 -0.746 2.418 1.00 0.00 H new ATOM 0 HA LEU A 93 103.969 1.190 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.704 0.612 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.870 -1.028 4.122 1.00 0.00 H new ATOM 0 HG LEU A 93 102.033 -0.134 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.402 2.230 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.891 2.115 5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.344 2.505 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.633 0.486 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.575 0.752 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.860 -0.883 5.533 1.00 0.00 H new ATOM 1313 N VAL A 94 104.314 -1.990 5.247 1.00 0.00 N ATOM 1314 CA VAL A 94 104.874 -2.894 6.303 1.00 0.00 C ATOM 1315 C VAL A 94 106.356 -3.183 6.058 1.00 0.00 C ATOM 1316 O VAL A 94 107.153 -3.227 6.976 1.00 0.00 O ATOM 1317 CB VAL A 94 104.048 -4.180 6.185 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.516 -5.200 7.227 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.567 -3.867 6.414 1.00 0.00 C ATOM 0 H VAL A 94 103.973 -2.463 4.410 1.00 0.00 H new ATOM 0 HA VAL A 94 104.815 -2.447 7.295 1.00 0.00 H new ATOM 0 HB VAL A 94 104.183 -4.595 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.924 -6.111 7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.568 -5.433 7.061 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.390 -4.783 8.226 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.984 -4.784 6.329 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.434 -3.443 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.227 -3.150 5.667 1.00 0.00 H new ATOM 1329 N GLY A 95 106.718 -3.389 4.827 1.00 0.00 N ATOM 1330 CA GLY A 95 108.136 -3.690 4.485 1.00 0.00 C ATOM 1331 C GLY A 95 108.196 -5.034 3.759 1.00 0.00 C ATOM 1332 O GLY A 95 108.949 -5.208 2.819 1.00 0.00 O ATOM 0 H GLY A 95 106.083 -3.362 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.547 -2.902 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.743 -3.723 5.390 1.00 0.00 H new ATOM 1336 N SER A 96 107.401 -5.980 4.186 1.00 0.00 N ATOM 1337 CA SER A 96 107.397 -7.318 3.524 1.00 0.00 C ATOM 1338 C SER A 96 105.972 -7.878 3.459 1.00 0.00 C ATOM 1339 O SER A 96 105.118 -7.510 4.243 1.00 0.00 O ATOM 1340 CB SER A 96 108.279 -8.199 4.403 1.00 0.00 C ATOM 1341 OG SER A 96 109.619 -7.724 4.353 1.00 0.00 O ATOM 0 H SER A 96 106.752 -5.883 4.967 1.00 0.00 H new ATOM 0 HA SER A 96 107.763 -7.269 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.915 -8.187 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.235 -9.233 4.061 1.00 0.00 H new ATOM 0 HG SER A 96 110.187 -8.288 4.918 1.00 0.00 H new ATOM 1347 N THR A 97 105.715 -8.777 2.539 1.00 0.00 N ATOM 1348 CA THR A 97 104.347 -9.375 2.434 1.00 0.00 C ATOM 1349 C THR A 97 104.234 -10.635 3.308 1.00 0.00 C ATOM 1350 O THR A 97 103.225 -11.313 3.301 1.00 0.00 O ATOM 1351 CB THR A 97 104.171 -9.736 0.956 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.184 -10.656 0.571 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.273 -8.475 0.103 1.00 0.00 C ATOM 0 H THR A 97 106.392 -9.122 1.858 1.00 0.00 H new ATOM 0 HA THR A 97 103.580 -8.682 2.779 1.00 0.00 H new ATOM 0 HB THR A 97 103.191 -10.191 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.072 -10.889 -0.374 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.147 -8.735 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.494 -7.772 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.251 -8.015 0.248 1.00 0.00 H new ATOM 1361 N GLU A 98 105.262 -10.949 4.053 1.00 0.00 N ATOM 1362 CA GLU A 98 105.229 -12.163 4.928 1.00 0.00 C ATOM 1363 C GLU A 98 104.257 -11.956 6.094 1.00 0.00 C ATOM 1364 O GLU A 98 103.723 -12.903 6.639 1.00 0.00 O ATOM 1365 CB GLU A 98 106.657 -12.316 5.451 1.00 0.00 C ATOM 1366 CG GLU A 98 107.580 -12.731 4.302 1.00 0.00 C ATOM 1367 CD GLU A 98 109.024 -12.890 4.807 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.294 -12.505 5.936 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 109.836 -13.396 4.051 1.00 0.00 O ATOM 0 H GLU A 98 106.129 -10.414 4.094 1.00 0.00 H new ATOM 0 HA GLU A 98 104.893 -13.047 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.999 -11.377 5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.687 -13.063 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.234 -13.670 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.545 -11.983 3.510 1.00 0.00 H new ATOM 1376 N ALA A 99 104.040 -10.727 6.488 1.00 0.00 N ATOM 1377 CA ALA A 99 103.116 -10.455 7.635 1.00 0.00 C ATOM 1378 C ALA A 99 101.712 -10.978 7.324 1.00 0.00 C ATOM 1379 O ALA A 99 101.064 -11.566 8.170 1.00 0.00 O ATOM 1380 CB ALA A 99 103.093 -8.931 7.780 1.00 0.00 C ATOM 0 H ALA A 99 104.462 -9.899 6.067 1.00 0.00 H new ATOM 0 HA ALA A 99 103.446 -10.948 8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.435 -8.654 8.603 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.101 -8.570 7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.727 -8.483 6.856 1.00 0.00 H new ATOM 1386 N GLY A 100 101.241 -10.777 6.120 1.00 0.00 N ATOM 1387 CA GLY A 100 99.882 -11.267 5.753 1.00 0.00 C ATOM 1388 C GLY A 100 98.830 -10.256 6.208 1.00 0.00 C ATOM 1389 O GLY A 100 98.271 -9.526 5.410 1.00 0.00 O ATOM 0 H GLY A 100 101.742 -10.293 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.817 -11.414 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.696 -12.235 6.219 1.00 0.00 H new ATOM 1393 N ARG A 101 98.552 -10.214 7.486 1.00 0.00 N ATOM 1394 CA ARG A 101 97.532 -9.260 8.008 1.00 0.00 C ATOM 1395 C ARG A 101 98.060 -8.533 9.248 1.00 0.00 C ATOM 1396 O ARG A 101 98.644 -9.140 10.126 1.00 0.00 O ATOM 1397 CB ARG A 101 96.340 -10.131 8.379 1.00 0.00 C ATOM 1398 CG ARG A 101 95.152 -9.240 8.725 1.00 0.00 C ATOM 1399 CD ARG A 101 93.959 -10.113 9.099 1.00 0.00 C ATOM 1400 NE ARG A 101 93.597 -10.848 7.852 1.00 0.00 N ATOM 1401 CZ ARG A 101 92.568 -11.651 7.846 1.00 0.00 C ATOM 1402 NH1 ARG A 101 91.448 -11.282 8.405 1.00 0.00 N ATOM 1403 NH2 ARG A 101 92.659 -12.826 7.281 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.991 -10.804 8.193 1.00 0.00 H new ATOM 0 HA ARG A 101 97.276 -8.493 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 101 96.085 -10.791 7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.591 -10.768 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.407 -8.579 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.900 -8.604 7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.215 -10.804 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.125 -9.507 9.454 1.00 0.00 H new ATOM 0 HE ARG A 101 94.153 -10.723 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.376 -10.366 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 101 90.644 -11.910 8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 101 93.534 -13.116 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 101 91.855 -13.453 7.276 1.00 0.00 H new ATOM 1417 N VAL A 102 97.844 -7.244 9.336 1.00 0.00 N ATOM 1418 CA VAL A 102 98.317 -6.482 10.532 1.00 0.00 C ATOM 1419 C VAL A 102 97.114 -5.898 11.284 1.00 0.00 C ATOM 1420 O VAL A 102 96.401 -5.053 10.777 1.00 0.00 O ATOM 1421 CB VAL A 102 99.216 -5.375 9.971 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.730 -4.491 11.109 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.408 -6.009 9.249 1.00 0.00 C ATOM 0 H VAL A 102 97.361 -6.687 8.631 1.00 0.00 H new ATOM 0 HA VAL A 102 98.858 -7.106 11.243 1.00 0.00 H new ATOM 0 HB VAL A 102 98.640 -4.766 9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.368 -3.707 10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.885 -4.038 11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.304 -5.097 11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.050 -5.224 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.976 -6.619 9.951 1.00 0.00 H new ATOM 0 HG23 VAL A 102 100.048 -6.635 8.433 1.00 0.00 H new ATOM 1433 N ASP A 103 96.879 -6.370 12.480 1.00 0.00 N ATOM 1434 CA ASP A 103 95.713 -5.881 13.276 1.00 0.00 C ATOM 1435 C ASP A 103 96.065 -4.629 14.079 1.00 0.00 C ATOM 1436 O ASP A 103 97.208 -4.228 14.173 1.00 0.00 O ATOM 1437 CB ASP A 103 95.361 -7.036 14.212 1.00 0.00 C ATOM 1438 CG ASP A 103 93.863 -7.015 14.516 1.00 0.00 C ATOM 1439 OD1 ASP A 103 93.365 -5.957 14.865 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 93.239 -8.056 14.392 1.00 0.00 O ATOM 0 H ASP A 103 97.448 -7.078 12.943 1.00 0.00 H new ATOM 0 HA ASP A 103 94.881 -5.599 12.631 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.635 -7.986 13.753 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.931 -6.953 15.137 1.00 0.00 H new ATOM 1445 N ASN A 104 95.066 -4.010 14.660 1.00 0.00 N ATOM 1446 CA ASN A 104 95.283 -2.771 15.475 1.00 0.00 C ATOM 1447 C ASN A 104 95.901 -1.672 14.615 1.00 0.00 C ATOM 1448 O ASN A 104 96.765 -0.933 15.051 1.00 0.00 O ATOM 1449 CB ASN A 104 96.232 -3.162 16.614 1.00 0.00 C ATOM 1450 CG ASN A 104 96.147 -2.123 17.740 1.00 0.00 C ATOM 1451 OD1 ASN A 104 95.277 -1.271 17.740 1.00 0.00 O ATOM 1452 ND2 ASN A 104 97.022 -2.155 18.707 1.00 0.00 N ATOM 0 H ASN A 104 94.094 -4.315 14.604 1.00 0.00 H new ATOM 0 HA ASN A 104 94.342 -2.384 15.865 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.969 -4.148 16.996 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.255 -3.226 16.242 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.976 -1.468 19.459 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.752 -2.867 18.711 1.00 0.00 H new ATOM 1459 N VAL A 105 95.446 -1.563 13.400 1.00 0.00 N ATOM 1460 CA VAL A 105 95.980 -0.514 12.492 1.00 0.00 C ATOM 1461 C VAL A 105 95.129 0.748 12.640 1.00 0.00 C ATOM 1462 O VAL A 105 93.928 0.714 12.437 1.00 0.00 O ATOM 1463 CB VAL A 105 95.863 -1.111 11.090 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.286 -0.080 10.040 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.775 -2.335 10.991 1.00 0.00 C ATOM 0 H VAL A 105 94.724 -2.159 12.995 1.00 0.00 H new ATOM 0 HA VAL A 105 97.010 -0.233 12.710 1.00 0.00 H new ATOM 0 HB VAL A 105 94.828 -1.399 10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 105 96.198 -0.517 9.045 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.641 0.796 10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.320 0.216 10.217 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.697 -2.767 9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.806 -2.036 11.178 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.472 -3.075 11.731 1.00 0.00 H new ATOM 1475 N ASN A 106 95.730 1.857 12.998 1.00 0.00 N ATOM 1476 CA ASN A 106 94.928 3.106 13.160 1.00 0.00 C ATOM 1477 C ASN A 106 94.667 3.731 11.789 1.00 0.00 C ATOM 1478 O ASN A 106 95.511 3.727 10.916 1.00 0.00 O ATOM 1479 CB ASN A 106 95.753 4.024 14.061 1.00 0.00 C ATOM 1480 CG ASN A 106 94.998 5.334 14.292 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.789 5.340 14.408 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.667 6.453 14.363 1.00 0.00 N ATOM 0 H ASN A 106 96.729 1.950 13.183 1.00 0.00 H new ATOM 0 HA ASN A 106 93.952 2.920 13.608 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.949 3.533 15.014 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.720 4.227 13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 106 95.174 7.333 14.516 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.682 6.447 14.266 1.00 0.00 H new ATOM 1489 N TYR A 107 93.482 4.241 11.599 1.00 0.00 N ATOM 1490 CA TYR A 107 93.109 4.847 10.285 1.00 0.00 C ATOM 1491 C TYR A 107 92.296 6.130 10.477 1.00 0.00 C ATOM 1492 O TYR A 107 91.490 6.231 11.384 1.00 0.00 O ATOM 1493 CB TYR A 107 92.246 3.776 9.604 1.00 0.00 C ATOM 1494 CG TYR A 107 91.062 3.424 10.481 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.209 2.475 11.497 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.824 4.047 10.277 1.00 0.00 C ATOM 1497 CE1 TYR A 107 90.120 2.146 12.313 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.734 3.719 11.094 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.883 2.768 12.111 1.00 0.00 C ATOM 1500 OH TYR A 107 87.809 2.445 12.917 1.00 0.00 O ATOM 0 H TYR A 107 92.746 4.265 12.305 1.00 0.00 H new ATOM 0 HA TYR A 107 93.987 5.123 9.701 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.897 4.140 8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.844 2.885 9.412 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.164 1.995 11.653 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.710 4.779 9.491 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.235 1.413 13.098 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.779 4.199 10.939 1.00 0.00 H new ATOM 0 HH TYR A 107 87.026 2.968 12.644 1.00 0.00 H new ATOM 1510 N VAL A 108 92.496 7.106 9.626 1.00 0.00 N ATOM 1511 CA VAL A 108 91.722 8.380 9.757 1.00 0.00 C ATOM 1512 C VAL A 108 91.417 8.986 8.383 1.00 0.00 C ATOM 1513 O VAL A 108 92.250 8.995 7.497 1.00 0.00 O ATOM 1514 CB VAL A 108 92.617 9.321 10.570 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.861 8.724 11.958 1.00 0.00 C ATOM 1516 CG2 VAL A 108 93.961 9.529 9.850 1.00 0.00 C ATOM 0 H VAL A 108 93.158 7.077 8.850 1.00 0.00 H new ATOM 0 HA VAL A 108 90.760 8.211 10.241 1.00 0.00 H new ATOM 0 HB VAL A 108 92.119 10.285 10.672 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.498 9.394 12.536 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.908 8.596 12.472 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.351 7.756 11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.588 10.199 10.437 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.464 8.569 9.735 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.784 9.966 8.867 1.00 0.00 H new ATOM 1526 N GLN A 109 90.231 9.513 8.215 1.00 0.00 N ATOM 1527 CA GLN A 109 89.860 10.152 6.914 1.00 0.00 C ATOM 1528 C GLN A 109 90.595 11.483 6.776 1.00 0.00 C ATOM 1529 O GLN A 109 90.725 12.225 7.733 1.00 0.00 O ATOM 1530 CB GLN A 109 88.351 10.393 7.000 1.00 0.00 C ATOM 1531 CG GLN A 109 87.851 11.032 5.702 1.00 0.00 C ATOM 1532 CD GLN A 109 86.344 11.275 5.803 1.00 0.00 C ATOM 1533 OE1 GLN A 109 85.869 11.810 6.785 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.566 10.905 4.823 1.00 0.00 N ATOM 0 H GLN A 109 89.500 9.529 8.926 1.00 0.00 H new ATOM 0 HA GLN A 109 90.123 9.533 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.833 9.450 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.125 11.042 7.846 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.371 11.973 5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.070 10.381 4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 109 85.963 10.456 3.998 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.560 11.065 4.882 1.00 0.00 H new ATOM 1543 N VAL A 110 91.073 11.797 5.599 1.00 0.00 N ATOM 1544 CA VAL A 110 91.794 13.088 5.415 1.00 0.00 C ATOM 1545 C VAL A 110 91.393 13.753 4.093 1.00 0.00 C ATOM 1546 O VAL A 110 90.620 13.214 3.324 1.00 0.00 O ATOM 1547 CB VAL A 110 93.285 12.733 5.419 1.00 0.00 C ATOM 1548 CG1 VAL A 110 93.655 12.091 6.758 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.592 11.752 4.282 1.00 0.00 C ATOM 0 H VAL A 110 90.995 11.218 4.763 1.00 0.00 H new ATOM 0 HA VAL A 110 91.550 13.800 6.204 1.00 0.00 H new ATOM 0 HB VAL A 110 93.868 13.643 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 110 94.715 11.839 6.760 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.447 12.791 7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.066 11.185 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.654 11.505 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.006 10.843 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.335 12.210 3.327 1.00 0.00 H new ATOM 1559 N ASP A 111 91.921 14.920 3.830 1.00 0.00 N ATOM 1560 CA ASP A 111 91.587 15.638 2.560 1.00 0.00 C ATOM 1561 C ASP A 111 91.993 14.783 1.352 1.00 0.00 C ATOM 1562 O ASP A 111 92.970 14.059 1.394 1.00 0.00 O ATOM 1563 CB ASP A 111 92.406 16.935 2.609 1.00 0.00 C ATOM 1564 CG ASP A 111 91.968 17.888 1.489 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.447 17.414 0.494 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 92.169 19.080 1.647 1.00 0.00 O ATOM 0 H ASP A 111 92.573 15.411 4.442 1.00 0.00 H new ATOM 0 HA ASP A 111 90.520 15.838 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 111 92.276 17.418 3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 111 93.467 16.707 2.506 1.00 0.00 H new ATOM 1571 N LEU A 112 91.246 14.860 0.281 1.00 0.00 N ATOM 1572 CA LEU A 112 91.569 14.054 -0.939 1.00 0.00 C ATOM 1573 C LEU A 112 92.960 14.414 -1.467 1.00 0.00 C ATOM 1574 O LEU A 112 93.689 13.566 -1.941 1.00 0.00 O ATOM 1575 CB LEU A 112 90.502 14.441 -1.965 1.00 0.00 C ATOM 1576 CG LEU A 112 90.731 13.671 -3.272 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.388 13.397 -3.949 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.612 14.504 -4.208 1.00 0.00 C ATOM 0 H LEU A 112 90.419 15.451 0.197 1.00 0.00 H new ATOM 0 HA LEU A 112 91.574 12.984 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.510 14.220 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.539 15.514 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 112 91.225 12.725 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.553 12.850 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.760 12.803 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 112 88.892 14.342 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.775 13.957 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.118 15.451 -4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.571 14.698 -3.728 1.00 0.00 H new ATOM 1590 N SER A 113 93.321 15.673 -1.408 1.00 0.00 N ATOM 1591 CA SER A 113 94.661 16.101 -1.926 1.00 0.00 C ATOM 1592 C SER A 113 95.776 15.254 -1.302 1.00 0.00 C ATOM 1593 O SER A 113 96.767 14.958 -1.937 1.00 0.00 O ATOM 1594 CB SER A 113 94.807 17.562 -1.499 1.00 0.00 C ATOM 1595 OG SER A 113 94.991 17.622 -0.089 1.00 0.00 O ATOM 0 H SER A 113 92.747 16.423 -1.024 1.00 0.00 H new ATOM 0 HA SER A 113 94.735 15.978 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.656 18.019 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 113 93.921 18.128 -1.786 1.00 0.00 H new ATOM 0 HG SER A 113 95.087 18.557 0.189 1.00 0.00 H new ATOM 1601 N ASN A 114 95.621 14.874 -0.062 1.00 0.00 N ATOM 1602 CA ASN A 114 96.667 14.049 0.622 1.00 0.00 C ATOM 1603 C ASN A 114 96.777 12.657 -0.008 1.00 0.00 C ATOM 1604 O ASN A 114 97.856 12.112 -0.120 1.00 0.00 O ATOM 1605 CB ASN A 114 96.222 13.951 2.082 1.00 0.00 C ATOM 1606 CG ASN A 114 96.372 15.317 2.758 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.120 16.158 2.300 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.689 15.575 3.840 1.00 0.00 N ATOM 0 H ASN A 114 94.810 15.100 0.513 1.00 0.00 H new ATOM 0 HA ASN A 114 97.654 14.503 0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.185 13.620 2.135 1.00 0.00 H new ATOM 0 HB3 ASN A 114 96.822 13.207 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 114 95.784 16.481 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.060 14.871 4.226 1.00 0.00 H new ATOM 1615 N CYS A 115 95.679 12.083 -0.430 1.00 0.00 N ATOM 1616 CA CYS A 115 95.738 10.731 -1.073 1.00 0.00 C ATOM 1617 C CYS A 115 96.558 10.799 -2.361 1.00 0.00 C ATOM 1618 O CYS A 115 97.450 10.002 -2.583 1.00 0.00 O ATOM 1619 CB CYS A 115 94.286 10.376 -1.408 1.00 0.00 C ATOM 1620 SG CYS A 115 93.590 9.348 -0.093 1.00 0.00 S ATOM 0 H CYS A 115 94.746 12.489 -0.358 1.00 0.00 H new ATOM 0 HA CYS A 115 96.203 9.993 -0.420 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.696 11.286 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.241 9.846 -2.359 1.00 0.00 H new ATOM 1625 N ILE A 116 96.250 11.740 -3.212 1.00 0.00 N ATOM 1626 CA ILE A 116 96.995 11.865 -4.503 1.00 0.00 C ATOM 1627 C ILE A 116 98.432 12.333 -4.249 1.00 0.00 C ATOM 1628 O ILE A 116 99.362 11.863 -4.879 1.00 0.00 O ATOM 1629 CB ILE A 116 96.212 12.897 -5.321 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.789 12.387 -5.555 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.887 13.119 -6.674 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.944 13.499 -6.178 1.00 0.00 C ATOM 0 H ILE A 116 95.513 12.431 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 116 97.071 10.913 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 116 96.187 13.837 -4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.806 11.518 -6.212 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.347 12.065 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.322 13.854 -7.246 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.903 13.483 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.919 12.178 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.930 13.135 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.916 14.356 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.383 13.800 -7.129 1.00 0.00 H new ATOM 1644 N ASN A 117 98.621 13.250 -3.335 1.00 0.00 N ATOM 1645 CA ASN A 117 100.002 13.745 -3.043 1.00 0.00 C ATOM 1646 C ASN A 117 100.852 12.618 -2.449 1.00 0.00 C ATOM 1647 O ASN A 117 102.016 12.470 -2.770 1.00 0.00 O ATOM 1648 CB ASN A 117 99.823 14.878 -2.033 1.00 0.00 C ATOM 1649 CG ASN A 117 99.170 16.079 -2.724 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.249 16.220 -3.929 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.526 16.956 -2.006 1.00 0.00 N ATOM 0 H ASN A 117 97.881 13.677 -2.779 1.00 0.00 H new ATOM 0 HA ASN A 117 100.513 14.088 -3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.204 14.543 -1.200 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.789 15.165 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.088 17.760 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.460 16.838 -0.995 1.00 0.00 H new ATOM 1658 N GLY A 118 100.273 11.821 -1.587 1.00 0.00 N ATOM 1659 CA GLY A 118 101.030 10.695 -0.968 1.00 0.00 C ATOM 1660 C GLY A 118 101.418 9.695 -2.055 1.00 0.00 C ATOM 1661 O GLY A 118 102.524 9.189 -2.083 1.00 0.00 O ATOM 0 H GLY A 118 99.302 11.904 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY A 118 101.922 11.072 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.421 10.206 -0.207 1.00 0.00 H new ATOM 1665 N ALA A 119 100.510 9.413 -2.955 1.00 0.00 N ATOM 1666 CA ALA A 119 100.812 8.451 -4.059 1.00 0.00 C ATOM 1667 C ALA A 119 101.978 8.973 -4.902 1.00 0.00 C ATOM 1668 O ALA A 119 102.841 8.226 -5.318 1.00 0.00 O ATOM 1669 CB ALA A 119 99.532 8.381 -4.897 1.00 0.00 C ATOM 0 H ALA A 119 99.570 9.809 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 119 101.101 7.469 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.679 7.692 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.709 8.029 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.296 9.372 -5.285 1.00 0.00 H new ATOM 1675 N ASN A 120 102.004 10.262 -5.155 1.00 0.00 N ATOM 1676 CA ASN A 120 103.109 10.865 -5.971 1.00 0.00 C ATOM 1677 C ASN A 120 103.236 10.150 -7.321 1.00 0.00 C ATOM 1678 O ASN A 120 102.331 9.405 -7.661 1.00 0.00 O ATOM 1679 CB ASN A 120 104.382 10.677 -5.142 1.00 0.00 C ATOM 1680 CG ASN A 120 105.503 11.542 -5.721 1.00 0.00 C ATOM 1681 OD1 ASN A 120 105.251 12.601 -6.261 1.00 0.00 O ATOM 1682 ND2 ASN A 120 106.738 11.132 -5.633 1.00 0.00 N ATOM 1683 OXT ASN A 120 104.234 10.361 -7.990 1.00 0.00 O ATOM 0 H ASN A 120 101.302 10.926 -4.829 1.00 0.00 H new ATOM 0 HA ASN A 120 102.920 11.916 -6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 120 104.196 10.952 -4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 120 104.679 9.628 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 120 107.493 11.700 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 120 106.949 10.243 -5.180 1.00 0.00 H new