USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 519 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 8 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 LYS NZ :NH3+ 174:sc= -1.05 (180deg=-1.07) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0.0137 (180deg=0.0082) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -140:sc= 0.02 USER MOD Single : A 17 TYR OH : rot -147:sc= 0.0588 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -87:sc= -3.28 USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.0572 (180deg=-0.275) USER MOD Single : A 51 ASN : amide:sc= -0.489 K(o=-0.49,f=-2.7!) USER MOD Single : A 52 GLN :FLIP amide:sc= -1.29 F(o=-5.6!,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -54:sc= -0.785! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.627! C(o=-0.63!,f=-5.7!) USER MOD Single : A 67 GLN : amide:sc= -0.286 K(o=-0.29,f=-2.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.130 -5.263 2.684 1.00 0.00 N ATOM 2 CA MET A 1 -17.309 -4.393 2.963 1.00 0.00 C ATOM 3 C MET A 1 -18.481 -5.236 3.472 1.00 0.00 C ATOM 4 O MET A 1 -18.943 -6.141 2.806 1.00 0.00 O ATOM 5 CB MET A 1 -17.653 -3.751 1.618 1.00 0.00 C ATOM 6 CG MET A 1 -17.292 -2.265 1.655 1.00 0.00 C ATOM 7 SD MET A 1 -15.503 -2.074 1.457 1.00 0.00 S ATOM 8 CE MET A 1 -15.350 -0.472 2.283 1.00 0.00 C ATOM 0 H1 MET A 1 -15.383 -4.700 2.229 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.771 -5.658 3.577 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.413 -6.039 2.051 1.00 0.00 H new ATOM 0 HA MET A 1 -17.100 -3.647 3.730 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.108 -4.249 0.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.715 -3.873 1.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.815 -1.733 0.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.613 -1.825 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.307 -0.157 2.276 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.956 0.267 1.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.695 -0.559 3.313 1.00 0.00 H new ATOM 20 N GLU A 2 -18.966 -4.946 4.650 1.00 0.00 N ATOM 21 CA GLU A 2 -20.107 -5.731 5.203 1.00 0.00 C ATOM 22 C GLU A 2 -19.789 -7.227 5.160 1.00 0.00 C ATOM 23 O GLU A 2 -20.427 -7.986 4.457 1.00 0.00 O ATOM 24 CB GLU A 2 -21.290 -5.412 4.290 1.00 0.00 C ATOM 25 CG GLU A 2 -21.844 -4.028 4.634 1.00 0.00 C ATOM 26 CD GLU A 2 -21.278 -2.996 3.658 1.00 0.00 C ATOM 27 OE1 GLU A 2 -20.069 -2.836 3.630 1.00 0.00 O ATOM 28 OE2 GLU A 2 -22.063 -2.382 2.954 1.00 0.00 O ATOM 0 H GLU A 2 -18.621 -4.199 5.253 1.00 0.00 H new ATOM 0 HA GLU A 2 -20.314 -5.478 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -20.975 -5.440 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.068 -6.166 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -22.933 -4.037 4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -21.577 -3.762 5.657 1.00 0.00 H new ATOM 35 N ILE A 3 -18.807 -7.659 5.902 1.00 0.00 N ATOM 36 CA ILE A 3 -18.451 -9.107 5.894 1.00 0.00 C ATOM 37 C ILE A 3 -18.060 -9.570 7.300 1.00 0.00 C ATOM 38 O ILE A 3 -17.645 -8.787 8.128 1.00 0.00 O ATOM 39 CB ILE A 3 -17.258 -9.215 4.945 1.00 0.00 C ATOM 40 CG1 ILE A 3 -16.113 -8.342 5.464 1.00 0.00 C ATOM 41 CG2 ILE A 3 -17.671 -8.740 3.551 1.00 0.00 C ATOM 42 CD1 ILE A 3 -14.806 -8.758 4.787 1.00 0.00 C ATOM 0 H ILE A 3 -18.236 -7.074 6.512 1.00 0.00 H new ATOM 0 HA ILE A 3 -19.285 -9.733 5.577 1.00 0.00 H new ATOM 0 HB ILE A 3 -16.928 -10.253 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -16.322 -7.292 5.261 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -16.024 -8.446 6.545 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.820 -8.817 2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -18.486 -9.362 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -18.001 -7.702 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.991 -8.136 5.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -14.596 -9.804 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -14.899 -8.631 3.708 1.00 0.00 H new ATOM 54 N ASP A 4 -18.181 -10.844 7.564 1.00 0.00 N ATOM 55 CA ASP A 4 -17.812 -11.381 8.901 1.00 0.00 C ATOM 56 C ASP A 4 -18.070 -12.882 8.936 1.00 0.00 C ATOM 57 O ASP A 4 -19.194 -13.340 8.891 1.00 0.00 O ATOM 58 CB ASP A 4 -18.707 -10.680 9.915 1.00 0.00 C ATOM 59 CG ASP A 4 -20.174 -10.874 9.527 1.00 0.00 C ATOM 60 OD1 ASP A 4 -20.635 -10.162 8.650 1.00 0.00 O ATOM 61 OD2 ASP A 4 -20.813 -11.731 10.115 1.00 0.00 O ATOM 0 H ASP A 4 -18.523 -11.540 6.902 1.00 0.00 H new ATOM 0 HA ASP A 4 -16.758 -11.209 9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -18.528 -11.082 10.912 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -18.468 -9.617 9.952 1.00 0.00 H new ATOM 66 N GLU A 5 -17.029 -13.642 9.015 1.00 0.00 N ATOM 67 CA GLU A 5 -17.176 -15.126 9.055 1.00 0.00 C ATOM 68 C GLU A 5 -15.848 -15.775 9.455 1.00 0.00 C ATOM 69 O GLU A 5 -15.547 -16.886 9.067 1.00 0.00 O ATOM 70 CB GLU A 5 -17.560 -15.526 7.630 1.00 0.00 C ATOM 71 CG GLU A 5 -18.795 -16.430 7.667 1.00 0.00 C ATOM 72 CD GLU A 5 -19.918 -15.794 6.845 1.00 0.00 C ATOM 73 OE1 GLU A 5 -20.674 -15.021 7.410 1.00 0.00 O ATOM 74 OE2 GLU A 5 -20.002 -16.091 5.664 1.00 0.00 O ATOM 0 H GLU A 5 -16.068 -13.304 9.055 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.921 -15.449 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.765 -14.637 7.034 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.730 -16.046 7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.550 -17.414 7.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -19.121 -16.576 8.697 1.00 0.00 H new ATOM 81 N GLY A 6 -15.053 -15.088 10.229 1.00 0.00 N ATOM 82 CA GLY A 6 -13.745 -15.661 10.655 1.00 0.00 C ATOM 83 C GLY A 6 -12.756 -15.608 9.489 1.00 0.00 C ATOM 84 O GLY A 6 -11.788 -16.341 9.452 1.00 0.00 O ATOM 0 H GLY A 6 -15.253 -14.153 10.585 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -13.351 -15.102 11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -13.878 -16.691 10.985 1.00 0.00 H new ATOM 88 N LYS A 7 -12.985 -14.743 8.539 1.00 0.00 N ATOM 89 CA LYS A 7 -12.049 -14.643 7.382 1.00 0.00 C ATOM 90 C LYS A 7 -10.884 -13.721 7.743 1.00 0.00 C ATOM 91 O LYS A 7 -11.078 -12.625 8.231 1.00 0.00 O ATOM 92 CB LYS A 7 -12.880 -14.046 6.246 1.00 0.00 C ATOM 93 CG LYS A 7 -13.858 -15.098 5.721 1.00 0.00 C ATOM 94 CD LYS A 7 -15.174 -14.421 5.331 1.00 0.00 C ATOM 95 CE LYS A 7 -15.231 -14.256 3.812 1.00 0.00 C ATOM 96 NZ LYS A 7 -16.668 -13.996 3.511 1.00 0.00 N ATOM 0 H LYS A 7 -13.778 -14.102 8.513 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.623 -15.607 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.426 -13.172 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.226 -13.708 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.430 -15.610 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.038 -15.855 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.019 -15.018 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.253 -13.448 5.817 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.602 -13.430 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.876 -15.152 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.791 -13.871 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.241 -14.802 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.975 -13.133 4.004 1.00 0.00 H new ATOM 110 N TYR A 8 -9.673 -14.153 7.519 1.00 0.00 N ATOM 111 CA TYR A 8 -8.508 -13.288 7.865 1.00 0.00 C ATOM 112 C TYR A 8 -7.731 -12.898 6.610 1.00 0.00 C ATOM 113 O TYR A 8 -7.524 -13.697 5.719 1.00 0.00 O ATOM 114 CB TYR A 8 -7.642 -14.138 8.793 1.00 0.00 C ATOM 115 CG TYR A 8 -8.215 -14.068 10.185 1.00 0.00 C ATOM 116 CD1 TYR A 8 -9.368 -14.795 10.499 1.00 0.00 C ATOM 117 CD2 TYR A 8 -7.603 -13.266 11.157 1.00 0.00 C ATOM 118 CE1 TYR A 8 -9.915 -14.724 11.785 1.00 0.00 C ATOM 119 CE2 TYR A 8 -8.150 -13.196 12.445 1.00 0.00 C ATOM 120 CZ TYR A 8 -9.306 -13.923 12.758 1.00 0.00 C ATOM 121 OH TYR A 8 -9.845 -13.850 14.027 1.00 0.00 O ATOM 0 H TYR A 8 -9.440 -15.060 7.115 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.820 -12.356 8.337 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.617 -15.171 8.446 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.614 -13.775 8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.837 -15.412 9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.713 -12.704 10.915 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.805 -15.286 12.026 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.680 -12.581 13.198 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.300 -13.252 14.580 1.00 0.00 H new ATOM 131 N GLU A 9 -7.297 -11.671 6.534 1.00 0.00 N ATOM 132 CA GLU A 9 -6.531 -11.226 5.337 1.00 0.00 C ATOM 133 C GLU A 9 -5.045 -11.095 5.678 1.00 0.00 C ATOM 134 O GLU A 9 -4.677 -10.513 6.679 1.00 0.00 O ATOM 135 CB GLU A 9 -7.119 -9.863 4.975 1.00 0.00 C ATOM 136 CG GLU A 9 -6.622 -9.445 3.590 1.00 0.00 C ATOM 137 CD GLU A 9 -6.954 -7.970 3.350 1.00 0.00 C ATOM 138 OE1 GLU A 9 -6.797 -7.190 4.274 1.00 0.00 O ATOM 139 OE2 GLU A 9 -7.359 -7.647 2.246 1.00 0.00 O ATOM 0 H GLU A 9 -7.440 -10.957 7.249 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.606 -11.935 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.208 -9.911 4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.827 -9.120 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.546 -9.603 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.089 -10.063 2.823 1.00 0.00 H new ATOM 146 N CYS A 10 -4.189 -11.628 4.850 1.00 0.00 N ATOM 147 CA CYS A 10 -2.728 -11.529 5.127 1.00 0.00 C ATOM 148 C CYS A 10 -2.229 -10.123 4.814 1.00 0.00 C ATOM 149 O CYS A 10 -2.146 -9.726 3.668 1.00 0.00 O ATOM 150 CB CYS A 10 -2.068 -12.527 4.180 1.00 0.00 C ATOM 151 SG CYS A 10 -0.426 -12.970 4.794 1.00 0.00 S ATOM 0 H CYS A 10 -4.437 -12.127 3.996 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.500 -11.738 6.172 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.686 -13.421 4.092 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.988 -12.096 3.182 1.00 0.00 H new ATOM 156 N GLU A 11 -1.875 -9.373 5.813 1.00 0.00 N ATOM 157 CA GLU A 11 -1.358 -8.003 5.555 1.00 0.00 C ATOM 158 C GLU A 11 -0.010 -8.083 4.827 1.00 0.00 C ATOM 159 O GLU A 11 0.502 -7.096 4.338 1.00 0.00 O ATOM 160 CB GLU A 11 -1.178 -7.387 6.941 1.00 0.00 C ATOM 161 CG GLU A 11 -2.187 -6.254 7.133 1.00 0.00 C ATOM 162 CD GLU A 11 -1.500 -4.910 6.881 1.00 0.00 C ATOM 163 OE1 GLU A 11 -0.653 -4.543 7.678 1.00 0.00 O ATOM 164 OE2 GLU A 11 -1.833 -4.271 5.897 1.00 0.00 O ATOM 0 H GLU A 11 -1.920 -9.646 6.795 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.028 -7.414 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.319 -8.147 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.163 -7.006 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.026 -6.380 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.594 -6.283 8.144 1.00 0.00 H new ATOM 171 N ALA A 12 0.576 -9.253 4.766 1.00 0.00 N ATOM 172 CA ALA A 12 1.896 -9.397 4.090 1.00 0.00 C ATOM 173 C ALA A 12 1.740 -9.597 2.576 1.00 0.00 C ATOM 174 O ALA A 12 2.497 -9.050 1.798 1.00 0.00 O ATOM 175 CB ALA A 12 2.526 -10.636 4.727 1.00 0.00 C ATOM 0 H ALA A 12 0.194 -10.114 5.157 1.00 0.00 H new ATOM 0 HA ALA A 12 2.506 -8.502 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.506 -10.815 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.636 -10.477 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.886 -11.501 4.552 1.00 0.00 H new ATOM 181 N CYS A 13 0.786 -10.384 2.138 1.00 0.00 N ATOM 182 CA CYS A 13 0.643 -10.598 0.666 1.00 0.00 C ATOM 183 C CYS A 13 -0.761 -10.209 0.175 1.00 0.00 C ATOM 184 O CYS A 13 -0.925 -9.713 -0.922 1.00 0.00 O ATOM 185 CB CYS A 13 0.944 -12.093 0.448 1.00 0.00 C ATOM 186 SG CYS A 13 -0.456 -13.128 0.955 1.00 0.00 S ATOM 0 H CYS A 13 0.113 -10.878 2.724 1.00 0.00 H new ATOM 0 HA CYS A 13 1.324 -9.969 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.169 -12.271 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.831 -12.374 1.016 1.00 0.00 H new ATOM 191 N GLY A 14 -1.770 -10.421 0.971 1.00 0.00 N ATOM 192 CA GLY A 14 -3.149 -10.050 0.534 1.00 0.00 C ATOM 193 C GLY A 14 -4.006 -11.311 0.391 1.00 0.00 C ATOM 194 O GLY A 14 -5.008 -11.318 -0.299 1.00 0.00 O ATOM 0 H GLY A 14 -1.703 -10.833 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.600 -9.373 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.108 -9.518 -0.416 1.00 0.00 H new ATOM 198 N TYR A 15 -3.624 -12.372 1.042 1.00 0.00 N ATOM 199 CA TYR A 15 -4.413 -13.635 0.954 1.00 0.00 C ATOM 200 C TYR A 15 -5.559 -13.600 1.970 1.00 0.00 C ATOM 201 O TYR A 15 -5.518 -12.870 2.939 1.00 0.00 O ATOM 202 CB TYR A 15 -3.413 -14.743 1.299 1.00 0.00 C ATOM 203 CG TYR A 15 -4.130 -16.069 1.411 1.00 0.00 C ATOM 204 CD1 TYR A 15 -4.793 -16.408 2.595 1.00 0.00 C ATOM 205 CD2 TYR A 15 -4.124 -16.960 0.330 1.00 0.00 C ATOM 206 CE1 TYR A 15 -5.452 -17.639 2.700 1.00 0.00 C ATOM 207 CE2 TYR A 15 -4.784 -18.190 0.436 1.00 0.00 C ATOM 208 CZ TYR A 15 -5.448 -18.530 1.621 1.00 0.00 C ATOM 209 OH TYR A 15 -6.096 -19.743 1.726 1.00 0.00 O ATOM 0 H TYR A 15 -2.795 -12.421 1.635 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.862 -13.786 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.642 -14.801 0.531 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.910 -14.511 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.797 -15.721 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.611 -16.698 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.964 -17.901 3.614 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.781 -18.877 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.557 -20.440 1.298 1.00 0.00 H new ATOM 219 N ILE A 16 -6.582 -14.380 1.754 1.00 0.00 N ATOM 220 CA ILE A 16 -7.728 -14.383 2.709 1.00 0.00 C ATOM 221 C ILE A 16 -7.979 -15.803 3.228 1.00 0.00 C ATOM 222 O ILE A 16 -8.258 -16.711 2.470 1.00 0.00 O ATOM 223 CB ILE A 16 -8.924 -13.875 1.894 1.00 0.00 C ATOM 224 CG1 ILE A 16 -8.737 -12.386 1.589 1.00 0.00 C ATOM 225 CG2 ILE A 16 -10.221 -14.064 2.690 1.00 0.00 C ATOM 226 CD1 ILE A 16 -7.728 -12.217 0.453 1.00 0.00 C ATOM 0 H ILE A 16 -6.675 -15.014 0.960 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.544 -13.760 3.584 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.985 -14.441 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.691 -11.939 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.388 -11.863 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.064 -13.700 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.362 -15.122 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.160 -13.504 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.597 -11.157 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.772 -12.648 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.095 -12.725 -0.439 1.00 0.00 H new ATOM 238 N TYR A 17 -7.887 -15.998 4.515 1.00 0.00 N ATOM 239 CA TYR A 17 -8.124 -17.354 5.084 1.00 0.00 C ATOM 240 C TYR A 17 -9.628 -17.590 5.270 1.00 0.00 C ATOM 241 O TYR A 17 -10.350 -16.727 5.731 1.00 0.00 O ATOM 242 CB TYR A 17 -7.402 -17.360 6.438 1.00 0.00 C ATOM 243 CG TYR A 17 -7.777 -18.606 7.214 1.00 0.00 C ATOM 244 CD1 TYR A 17 -7.245 -19.847 6.846 1.00 0.00 C ATOM 245 CD2 TYR A 17 -8.666 -18.518 8.293 1.00 0.00 C ATOM 246 CE1 TYR A 17 -7.602 -21.001 7.556 1.00 0.00 C ATOM 247 CE2 TYR A 17 -9.022 -19.671 9.004 1.00 0.00 C ATOM 248 CZ TYR A 17 -8.490 -20.913 8.635 1.00 0.00 C ATOM 249 OH TYR A 17 -8.843 -22.049 9.334 1.00 0.00 O ATOM 0 H TYR A 17 -7.658 -15.276 5.198 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.755 -18.145 4.431 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.323 -17.326 6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.671 -16.471 7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.559 -19.915 6.015 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.077 -17.560 8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.192 -21.959 7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.707 -19.602 9.837 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.767 -21.965 9.650 1.00 0.00 H new ATOM 259 N GLU A 18 -10.093 -18.759 4.929 1.00 0.00 N ATOM 260 CA GLU A 18 -11.540 -19.069 5.096 1.00 0.00 C ATOM 261 C GLU A 18 -11.704 -20.205 6.115 1.00 0.00 C ATOM 262 O GLU A 18 -11.332 -21.330 5.844 1.00 0.00 O ATOM 263 CB GLU A 18 -12.014 -19.515 3.712 1.00 0.00 C ATOM 264 CG GLU A 18 -11.928 -18.337 2.741 1.00 0.00 C ATOM 265 CD GLU A 18 -12.279 -18.811 1.329 1.00 0.00 C ATOM 266 OE1 GLU A 18 -13.277 -19.498 1.187 1.00 0.00 O ATOM 267 OE2 GLU A 18 -11.545 -18.478 0.414 1.00 0.00 O ATOM 0 H GLU A 18 -9.531 -19.516 4.540 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.114 -18.217 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.400 -20.341 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.039 -19.881 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.611 -17.546 3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.924 -17.914 2.755 1.00 0.00 H new ATOM 274 N PRO A 19 -12.246 -19.879 7.263 1.00 0.00 N ATOM 275 CA PRO A 19 -12.439 -20.902 8.321 1.00 0.00 C ATOM 276 C PRO A 19 -13.517 -21.909 7.924 1.00 0.00 C ATOM 277 O PRO A 19 -13.235 -23.053 7.628 1.00 0.00 O ATOM 278 CB PRO A 19 -12.856 -20.085 9.541 1.00 0.00 C ATOM 279 CG PRO A 19 -13.423 -18.813 8.996 1.00 0.00 C ATOM 280 CD PRO A 19 -12.732 -18.554 7.682 1.00 0.00 C ATOM 0 HA PRO A 19 -11.545 -21.498 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.595 -20.620 10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.004 -19.888 10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.500 -18.899 8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.257 -17.988 9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.418 -18.131 6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.911 -17.846 7.796 1.00 0.00 H new ATOM 288 N GLU A 20 -14.747 -21.494 7.919 1.00 0.00 N ATOM 289 CA GLU A 20 -15.858 -22.420 7.546 1.00 0.00 C ATOM 290 C GLU A 20 -15.526 -23.189 6.261 1.00 0.00 C ATOM 291 O GLU A 20 -16.040 -24.264 6.021 1.00 0.00 O ATOM 292 CB GLU A 20 -17.069 -21.511 7.330 1.00 0.00 C ATOM 293 CG GLU A 20 -18.096 -21.762 8.435 1.00 0.00 C ATOM 294 CD GLU A 20 -17.751 -20.907 9.657 1.00 0.00 C ATOM 295 OE1 GLU A 20 -16.579 -20.819 9.981 1.00 0.00 O ATOM 296 OE2 GLU A 20 -18.666 -20.354 10.247 1.00 0.00 O ATOM 0 H GLU A 20 -15.039 -20.546 8.158 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.036 -23.172 8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.759 -20.466 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.514 -21.705 6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -19.097 -21.518 8.078 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.103 -22.818 8.707 1.00 0.00 H new ATOM 303 N LYS A 21 -14.674 -22.650 5.429 1.00 0.00 N ATOM 304 CA LYS A 21 -14.320 -23.358 4.163 1.00 0.00 C ATOM 305 C LYS A 21 -13.049 -24.190 4.352 1.00 0.00 C ATOM 306 O LYS A 21 -12.936 -25.291 3.851 1.00 0.00 O ATOM 307 CB LYS A 21 -14.091 -22.247 3.138 1.00 0.00 C ATOM 308 CG LYS A 21 -14.063 -22.846 1.730 1.00 0.00 C ATOM 309 CD LYS A 21 -15.372 -22.515 1.010 1.00 0.00 C ATOM 310 CE LYS A 21 -16.413 -23.589 1.331 1.00 0.00 C ATOM 311 NZ LYS A 21 -17.110 -23.844 0.038 1.00 0.00 N ATOM 0 H LYS A 21 -14.209 -21.753 5.570 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.101 -24.049 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.883 -21.502 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.151 -21.735 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.217 -22.448 1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.929 -23.926 1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.735 -21.536 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.205 -22.464 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.942 -24.495 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.111 -23.247 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.841 -24.571 0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.554 -22.965 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.422 -24.174 -0.668 1.00 0.00 H new ATOM 325 N GLY A 22 -12.093 -23.674 5.070 1.00 0.00 N ATOM 326 CA GLY A 22 -10.831 -24.437 5.291 1.00 0.00 C ATOM 327 C GLY A 22 -9.782 -24.011 4.261 1.00 0.00 C ATOM 328 O GLY A 22 -10.073 -23.842 3.093 1.00 0.00 O ATOM 0 H GLY A 22 -12.129 -22.757 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.458 -24.257 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.022 -25.507 5.208 1.00 0.00 H new ATOM 332 N ASP A 23 -8.560 -23.845 4.688 1.00 0.00 N ATOM 333 CA ASP A 23 -7.482 -23.442 3.744 1.00 0.00 C ATOM 334 C ASP A 23 -6.911 -24.679 3.058 1.00 0.00 C ATOM 335 O ASP A 23 -5.758 -25.016 3.228 1.00 0.00 O ATOM 336 CB ASP A 23 -6.418 -22.771 4.612 1.00 0.00 C ATOM 337 CG ASP A 23 -5.493 -21.932 3.727 1.00 0.00 C ATOM 338 OD1 ASP A 23 -5.369 -22.257 2.558 1.00 0.00 O ATOM 339 OD2 ASP A 23 -4.925 -20.979 4.235 1.00 0.00 O ATOM 0 H ASP A 23 -8.262 -23.972 5.655 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.842 -22.774 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.892 -22.139 5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.841 -23.525 5.147 1.00 0.00 H new ATOM 344 N LYS A 24 -7.721 -25.360 2.292 1.00 0.00 N ATOM 345 CA LYS A 24 -7.252 -26.594 1.584 1.00 0.00 C ATOM 346 C LYS A 24 -5.858 -26.387 0.977 1.00 0.00 C ATOM 347 O LYS A 24 -5.089 -27.317 0.831 1.00 0.00 O ATOM 348 CB LYS A 24 -8.282 -26.827 0.480 1.00 0.00 C ATOM 349 CG LYS A 24 -8.821 -28.258 0.573 1.00 0.00 C ATOM 350 CD LYS A 24 -8.503 -29.012 -0.722 1.00 0.00 C ATOM 351 CE LYS A 24 -7.487 -30.118 -0.430 1.00 0.00 C ATOM 352 NZ LYS A 24 -7.569 -31.033 -1.603 1.00 0.00 N ATOM 0 H LYS A 24 -8.696 -25.114 2.123 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.169 -27.442 2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.100 -26.113 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.827 -26.662 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.373 -28.771 1.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.898 -28.242 0.741 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.414 -29.441 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.104 -28.324 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.482 -29.711 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.727 -30.640 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.900 -31.819 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.535 -31.410 -1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.329 -30.510 -2.469 1.00 0.00 H new ATOM 366 N PHE A 25 -5.524 -25.173 0.633 1.00 0.00 N ATOM 367 CA PHE A 25 -4.180 -24.908 0.049 1.00 0.00 C ATOM 368 C PHE A 25 -3.098 -25.148 1.107 1.00 0.00 C ATOM 369 O PHE A 25 -2.006 -25.589 0.806 1.00 0.00 O ATOM 370 CB PHE A 25 -4.210 -23.437 -0.364 1.00 0.00 C ATOM 371 CG PHE A 25 -4.824 -23.314 -1.739 1.00 0.00 C ATOM 372 CD1 PHE A 25 -4.034 -23.514 -2.878 1.00 0.00 C ATOM 373 CD2 PHE A 25 -6.180 -22.998 -1.873 1.00 0.00 C ATOM 374 CE1 PHE A 25 -4.603 -23.399 -4.152 1.00 0.00 C ATOM 375 CE2 PHE A 25 -6.749 -22.883 -3.147 1.00 0.00 C ATOM 376 CZ PHE A 25 -5.961 -23.084 -4.286 1.00 0.00 C ATOM 0 H PHE A 25 -6.124 -24.354 0.731 1.00 0.00 H new ATOM 0 HA PHE A 25 -3.956 -25.560 -0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.786 -22.857 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.200 -23.028 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.987 -23.757 -2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.788 -22.843 -0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.995 -23.553 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.796 -22.639 -3.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.400 -22.996 -5.269 1.00 0.00 H new ATOM 386 N ALA A 26 -3.397 -24.865 2.345 1.00 0.00 N ATOM 387 CA ALA A 26 -2.393 -25.078 3.425 1.00 0.00 C ATOM 388 C ALA A 26 -2.621 -26.437 4.095 1.00 0.00 C ATOM 389 O ALA A 26 -1.714 -27.029 4.646 1.00 0.00 O ATOM 390 CB ALA A 26 -2.637 -23.943 4.420 1.00 0.00 C ATOM 0 H ALA A 26 -4.295 -24.495 2.656 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.371 -25.076 3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.935 -24.029 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.494 -22.985 3.921 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.657 -24.005 4.800 1.00 0.00 H new ATOM 396 N GLY A 27 -3.827 -26.938 4.048 1.00 0.00 N ATOM 397 CA GLY A 27 -4.110 -28.259 4.676 1.00 0.00 C ATOM 398 C GLY A 27 -5.124 -28.087 5.811 1.00 0.00 C ATOM 399 O GLY A 27 -5.173 -28.877 6.733 1.00 0.00 O ATOM 0 H GLY A 27 -4.627 -26.489 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.500 -28.951 3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.188 -28.693 5.062 1.00 0.00 H new ATOM 403 N ILE A 28 -5.935 -27.066 5.755 1.00 0.00 N ATOM 404 CA ILE A 28 -6.941 -26.858 6.835 1.00 0.00 C ATOM 405 C ILE A 28 -8.362 -27.076 6.283 1.00 0.00 C ATOM 406 O ILE A 28 -8.787 -26.373 5.389 1.00 0.00 O ATOM 407 CB ILE A 28 -6.742 -25.406 7.280 1.00 0.00 C ATOM 408 CG1 ILE A 28 -5.397 -25.277 8.001 1.00 0.00 C ATOM 409 CG2 ILE A 28 -7.867 -24.996 8.236 1.00 0.00 C ATOM 410 CD1 ILE A 28 -4.647 -24.053 7.472 1.00 0.00 C ATOM 0 H ILE A 28 -5.945 -26.369 5.011 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.818 -27.555 7.664 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.757 -24.757 6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.556 -25.182 9.075 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.801 -26.177 7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.720 -23.962 8.549 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.827 -25.088 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.855 -25.645 9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.690 -23.962 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.475 -24.166 6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.241 -23.157 7.651 1.00 0.00 H new ATOM 422 N PRO A 29 -9.055 -28.048 6.835 1.00 0.00 N ATOM 423 CA PRO A 29 -10.439 -28.345 6.380 1.00 0.00 C ATOM 424 C PRO A 29 -11.398 -27.243 6.846 1.00 0.00 C ATOM 425 O PRO A 29 -11.005 -26.358 7.580 1.00 0.00 O ATOM 426 CB PRO A 29 -10.762 -29.674 7.058 1.00 0.00 C ATOM 427 CG PRO A 29 -9.874 -29.723 8.259 1.00 0.00 C ATOM 428 CD PRO A 29 -8.629 -28.949 7.918 1.00 0.00 C ATOM 0 HA PRO A 29 -10.536 -28.394 5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.813 -29.727 7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -10.570 -30.514 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -10.373 -29.289 9.125 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.629 -30.754 8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -8.258 -28.392 8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.825 -29.609 7.594 1.00 0.00 H new ATOM 436 N PRO A 30 -12.633 -27.331 6.412 1.00 0.00 N ATOM 437 CA PRO A 30 -13.642 -26.318 6.806 1.00 0.00 C ATOM 438 C PRO A 30 -13.969 -26.459 8.292 1.00 0.00 C ATOM 439 O PRO A 30 -13.258 -27.104 9.037 1.00 0.00 O ATOM 440 CB PRO A 30 -14.856 -26.663 5.950 1.00 0.00 C ATOM 441 CG PRO A 30 -14.690 -28.111 5.636 1.00 0.00 C ATOM 442 CD PRO A 30 -13.208 -28.358 5.530 1.00 0.00 C ATOM 0 HA PRO A 30 -13.304 -25.292 6.657 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -15.786 -26.477 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.886 -26.061 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.132 -28.730 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -15.194 -28.366 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.943 -29.364 5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.854 -28.252 4.504 1.00 0.00 H new ATOM 450 N GLY A 31 -15.042 -25.861 8.725 1.00 0.00 N ATOM 451 CA GLY A 31 -15.432 -25.950 10.165 1.00 0.00 C ATOM 452 C GLY A 31 -14.220 -25.657 11.059 1.00 0.00 C ATOM 453 O GLY A 31 -14.146 -26.106 12.186 1.00 0.00 O ATOM 0 H GLY A 31 -15.672 -25.310 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.231 -25.240 10.378 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.823 -26.944 10.383 1.00 0.00 H new ATOM 457 N THR A 32 -13.272 -24.907 10.568 1.00 0.00 N ATOM 458 CA THR A 32 -12.068 -24.590 11.389 1.00 0.00 C ATOM 459 C THR A 32 -11.842 -23.072 11.427 1.00 0.00 C ATOM 460 O THR A 32 -11.501 -22.481 10.422 1.00 0.00 O ATOM 461 CB THR A 32 -10.907 -25.281 10.674 1.00 0.00 C ATOM 462 OG1 THR A 32 -11.205 -26.662 10.515 1.00 0.00 O ATOM 463 CG2 THR A 32 -9.631 -25.124 11.501 1.00 0.00 C ATOM 0 H THR A 32 -13.279 -24.499 9.633 1.00 0.00 H new ATOM 0 HA THR A 32 -12.171 -24.927 12.421 1.00 0.00 H new ATOM 0 HB THR A 32 -10.760 -24.826 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.726 -26.792 9.695 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.804 -25.617 10.991 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.404 -24.065 11.622 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.775 -25.578 12.481 1.00 0.00 H new ATOM 471 N PRO A 33 -12.039 -22.485 12.582 1.00 0.00 N ATOM 472 CA PRO A 33 -11.852 -21.019 12.720 1.00 0.00 C ATOM 473 C PRO A 33 -10.366 -20.653 12.660 1.00 0.00 C ATOM 474 O PRO A 33 -9.510 -21.401 13.089 1.00 0.00 O ATOM 475 CB PRO A 33 -12.432 -20.707 14.094 1.00 0.00 C ATOM 476 CG PRO A 33 -12.333 -21.991 14.855 1.00 0.00 C ATOM 477 CD PRO A 33 -12.449 -23.107 13.851 1.00 0.00 C ATOM 0 HA PRO A 33 -12.333 -20.454 11.921 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -11.873 -19.912 14.587 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.466 -20.371 14.019 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.385 -22.050 15.390 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.125 -22.059 15.601 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.805 -23.947 14.111 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.467 -23.492 13.797 1.00 0.00 H new ATOM 485 N PHE A 34 -10.062 -19.501 12.130 1.00 0.00 N ATOM 486 CA PHE A 34 -8.639 -19.064 12.034 1.00 0.00 C ATOM 487 C PHE A 34 -7.973 -19.116 13.414 1.00 0.00 C ATOM 488 O PHE A 34 -6.772 -19.256 13.529 1.00 0.00 O ATOM 489 CB PHE A 34 -8.720 -17.624 11.517 1.00 0.00 C ATOM 490 CG PHE A 34 -7.360 -16.967 11.577 1.00 0.00 C ATOM 491 CD1 PHE A 34 -6.970 -16.273 12.729 1.00 0.00 C ATOM 492 CD2 PHE A 34 -6.495 -17.048 10.481 1.00 0.00 C ATOM 493 CE1 PHE A 34 -5.713 -15.661 12.785 1.00 0.00 C ATOM 494 CE2 PHE A 34 -5.236 -16.435 10.536 1.00 0.00 C ATOM 495 CZ PHE A 34 -4.846 -15.742 11.688 1.00 0.00 C ATOM 0 H PHE A 34 -10.742 -18.839 11.757 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.043 -19.702 11.381 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.089 -17.619 10.491 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.433 -17.056 12.115 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.639 -16.210 13.574 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.797 -17.583 9.593 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.411 -15.126 13.674 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.567 -16.497 9.690 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.876 -15.269 11.731 1.00 0.00 H new ATOM 505 N VAL A 35 -8.744 -19.000 14.459 1.00 0.00 N ATOM 506 CA VAL A 35 -8.155 -19.039 15.827 1.00 0.00 C ATOM 507 C VAL A 35 -7.678 -20.455 16.170 1.00 0.00 C ATOM 508 O VAL A 35 -6.957 -20.660 17.125 1.00 0.00 O ATOM 509 CB VAL A 35 -9.292 -18.615 16.756 1.00 0.00 C ATOM 510 CG1 VAL A 35 -9.713 -17.183 16.424 1.00 0.00 C ATOM 511 CG2 VAL A 35 -10.485 -19.555 16.566 1.00 0.00 C ATOM 0 H VAL A 35 -9.756 -18.880 14.425 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.285 -18.388 15.918 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.953 -18.664 17.791 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.524 -16.879 17.086 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.864 -16.513 16.560 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.052 -17.134 15.389 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.296 -19.252 17.229 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.825 -19.507 15.531 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.185 -20.576 16.802 1.00 0.00 H new ATOM 521 N ASP A 36 -8.076 -21.435 15.402 1.00 0.00 N ATOM 522 CA ASP A 36 -7.643 -22.832 15.695 1.00 0.00 C ATOM 523 C ASP A 36 -6.423 -23.216 14.847 1.00 0.00 C ATOM 524 O ASP A 36 -5.870 -24.287 14.998 1.00 0.00 O ATOM 525 CB ASP A 36 -8.845 -23.702 15.327 1.00 0.00 C ATOM 526 CG ASP A 36 -9.725 -23.904 16.562 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.240 -22.919 17.065 1.00 0.00 O ATOM 528 OD2 ASP A 36 -9.870 -25.040 16.982 1.00 0.00 O ATOM 0 H ASP A 36 -8.680 -21.329 14.587 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.347 -22.955 16.737 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.420 -23.229 14.531 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.507 -24.666 14.946 1.00 0.00 H new ATOM 533 N LEU A 37 -5.995 -22.358 13.956 1.00 0.00 N ATOM 534 CA LEU A 37 -4.811 -22.696 13.109 1.00 0.00 C ATOM 535 C LEU A 37 -3.643 -23.161 13.984 1.00 0.00 C ATOM 536 O LEU A 37 -3.635 -22.963 15.183 1.00 0.00 O ATOM 537 CB LEU A 37 -4.452 -21.398 12.382 1.00 0.00 C ATOM 538 CG LEU A 37 -5.541 -21.065 11.355 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.134 -19.814 10.571 1.00 0.00 C ATOM 540 CD2 LEU A 37 -5.712 -22.238 10.386 1.00 0.00 C ATOM 0 H LEU A 37 -6.411 -21.444 13.779 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.026 -23.506 12.412 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.353 -20.583 13.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.488 -21.503 11.884 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.483 -20.884 11.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.907 -19.575 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.014 -18.977 11.259 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.191 -19.998 10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.487 -21.998 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.771 -22.422 9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.000 -23.130 10.942 1.00 0.00 H new ATOM 552 N SER A 38 -2.658 -23.778 13.392 1.00 0.00 N ATOM 553 CA SER A 38 -1.492 -24.256 14.188 1.00 0.00 C ATOM 554 C SER A 38 -0.763 -23.070 14.824 1.00 0.00 C ATOM 555 O SER A 38 -1.072 -21.925 14.560 1.00 0.00 O ATOM 556 CB SER A 38 -0.585 -24.963 13.180 1.00 0.00 C ATOM 557 OG SER A 38 -0.048 -26.138 13.768 1.00 0.00 O ATOM 0 H SER A 38 -2.610 -23.972 12.392 1.00 0.00 H new ATOM 0 HA SER A 38 -1.792 -24.918 15.001 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.150 -25.218 12.283 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.221 -24.297 12.871 1.00 0.00 H new ATOM 0 HG SER A 38 0.532 -26.592 13.121 1.00 0.00 H new ATOM 563 N ASP A 39 0.200 -23.337 15.660 1.00 0.00 N ATOM 564 CA ASP A 39 0.950 -22.228 16.314 1.00 0.00 C ATOM 565 C ASP A 39 1.904 -21.568 15.312 1.00 0.00 C ATOM 566 O ASP A 39 2.352 -20.456 15.509 1.00 0.00 O ATOM 567 CB ASP A 39 1.736 -22.896 17.442 1.00 0.00 C ATOM 568 CG ASP A 39 0.759 -23.476 18.467 1.00 0.00 C ATOM 569 OD1 ASP A 39 -0.043 -22.718 18.986 1.00 0.00 O ATOM 570 OD2 ASP A 39 0.830 -24.668 18.715 1.00 0.00 O ATOM 0 H ASP A 39 0.501 -24.276 15.920 1.00 0.00 H new ATOM 0 HA ASP A 39 0.289 -21.444 16.684 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.370 -23.686 17.040 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.394 -22.171 17.920 1.00 0.00 H new ATOM 575 N SER A 40 2.222 -22.246 14.242 1.00 0.00 N ATOM 576 CA SER A 40 3.148 -21.654 13.236 1.00 0.00 C ATOM 577 C SER A 40 2.542 -21.739 11.833 1.00 0.00 C ATOM 578 O SER A 40 3.241 -21.943 10.860 1.00 0.00 O ATOM 579 CB SER A 40 4.418 -22.500 13.323 1.00 0.00 C ATOM 580 OG SER A 40 5.226 -22.035 14.394 1.00 0.00 O ATOM 0 H SER A 40 1.881 -23.182 14.022 1.00 0.00 H new ATOM 0 HA SER A 40 3.343 -20.599 13.429 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.160 -23.548 13.477 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.971 -22.442 12.385 1.00 0.00 H new ATOM 0 HG SER A 40 6.039 -22.579 14.450 1.00 0.00 H new ATOM 586 N PHE A 41 1.251 -21.581 11.716 1.00 0.00 N ATOM 587 CA PHE A 41 0.620 -21.649 10.367 1.00 0.00 C ATOM 588 C PHE A 41 1.282 -20.622 9.441 1.00 0.00 C ATOM 589 O PHE A 41 1.309 -19.441 9.726 1.00 0.00 O ATOM 590 CB PHE A 41 -0.867 -21.322 10.599 1.00 0.00 C ATOM 591 CG PHE A 41 -1.536 -20.941 9.293 1.00 0.00 C ATOM 592 CD1 PHE A 41 -1.887 -21.930 8.366 1.00 0.00 C ATOM 593 CD2 PHE A 41 -1.802 -19.594 9.012 1.00 0.00 C ATOM 594 CE1 PHE A 41 -2.504 -21.574 7.160 1.00 0.00 C ATOM 595 CE2 PHE A 41 -2.419 -19.239 7.806 1.00 0.00 C ATOM 596 CZ PHE A 41 -2.770 -20.227 6.881 1.00 0.00 C ATOM 0 H PHE A 41 0.610 -21.409 12.490 1.00 0.00 H new ATOM 0 HA PHE A 41 0.736 -22.624 9.893 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.371 -22.184 11.035 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.959 -20.504 11.314 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.682 -22.968 8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.531 -18.830 9.725 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.775 -22.337 6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.624 -18.201 7.590 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.246 -19.952 5.951 1.00 0.00 H new ATOM 606 N MET A 42 1.809 -21.063 8.334 1.00 0.00 N ATOM 607 CA MET A 42 2.459 -20.109 7.392 1.00 0.00 C ATOM 608 C MET A 42 1.569 -19.910 6.165 1.00 0.00 C ATOM 609 O MET A 42 0.939 -20.832 5.687 1.00 0.00 O ATOM 610 CB MET A 42 3.782 -20.766 6.993 1.00 0.00 C ATOM 611 CG MET A 42 4.573 -21.143 8.248 1.00 0.00 C ATOM 612 SD MET A 42 6.285 -21.514 7.791 1.00 0.00 S ATOM 613 CE MET A 42 7.077 -20.709 9.205 1.00 0.00 C ATOM 0 H MET A 42 1.818 -22.040 8.041 1.00 0.00 H new ATOM 0 HA MET A 42 2.619 -19.129 7.842 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.590 -21.655 6.392 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.366 -20.083 6.375 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.546 -20.325 8.968 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.119 -22.008 8.732 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.159 -20.817 9.126 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.818 -19.650 9.213 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.732 -21.174 10.129 1.00 0.00 H new ATOM 623 N CYS A 43 1.511 -18.715 5.653 1.00 0.00 N ATOM 624 CA CYS A 43 0.658 -18.458 4.458 1.00 0.00 C ATOM 625 C CYS A 43 0.989 -19.454 3.340 1.00 0.00 C ATOM 626 O CYS A 43 2.146 -19.710 3.069 1.00 0.00 O ATOM 627 CB CYS A 43 1.016 -17.044 4.020 1.00 0.00 C ATOM 628 SG CYS A 43 -0.324 -16.354 3.022 1.00 0.00 S ATOM 0 H CYS A 43 2.017 -17.904 6.009 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.403 -18.568 4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.191 -16.416 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.942 -17.055 3.445 1.00 0.00 H new ATOM 633 N PRO A 44 -0.036 -19.977 2.711 1.00 0.00 N ATOM 634 CA PRO A 44 0.174 -20.939 1.602 1.00 0.00 C ATOM 635 C PRO A 44 0.648 -20.211 0.335 1.00 0.00 C ATOM 636 O PRO A 44 0.898 -20.825 -0.682 1.00 0.00 O ATOM 637 CB PRO A 44 -1.206 -21.550 1.391 1.00 0.00 C ATOM 638 CG PRO A 44 -2.172 -20.526 1.899 1.00 0.00 C ATOM 639 CD PRO A 44 -1.463 -19.735 2.969 1.00 0.00 C ATOM 0 HA PRO A 44 0.937 -21.685 1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.382 -21.769 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.307 -22.490 1.934 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.500 -19.872 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.064 -21.005 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.705 -18.674 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.749 -20.068 3.966 1.00 0.00 H new ATOM 647 N ALA A 45 0.769 -18.907 0.381 1.00 0.00 N ATOM 648 CA ALA A 45 1.220 -18.161 -0.829 1.00 0.00 C ATOM 649 C ALA A 45 2.461 -17.319 -0.518 1.00 0.00 C ATOM 650 O ALA A 45 3.391 -17.262 -1.298 1.00 0.00 O ATOM 651 CB ALA A 45 0.042 -17.262 -1.202 1.00 0.00 C ATOM 0 H ALA A 45 0.576 -18.332 1.201 1.00 0.00 H new ATOM 0 HA ALA A 45 1.497 -18.833 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.296 -16.678 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.833 -17.877 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.178 -16.589 -0.374 1.00 0.00 H new ATOM 657 N CYS A 46 2.486 -16.662 0.608 1.00 0.00 N ATOM 658 CA CYS A 46 3.675 -15.825 0.944 1.00 0.00 C ATOM 659 C CYS A 46 4.427 -16.392 2.171 1.00 0.00 C ATOM 660 O CYS A 46 5.385 -15.813 2.645 1.00 0.00 O ATOM 661 CB CYS A 46 3.105 -14.400 1.167 1.00 0.00 C ATOM 662 SG CYS A 46 2.743 -14.056 2.913 1.00 0.00 S ATOM 0 H CYS A 46 1.742 -16.667 1.306 1.00 0.00 H new ATOM 0 HA CYS A 46 4.427 -15.815 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.820 -13.665 0.797 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.194 -14.282 0.581 1.00 0.00 H new ATOM 667 N ARG A 47 4.011 -17.530 2.665 1.00 0.00 N ATOM 668 CA ARG A 47 4.703 -18.160 3.834 1.00 0.00 C ATOM 669 C ARG A 47 4.808 -17.208 5.035 1.00 0.00 C ATOM 670 O ARG A 47 5.681 -17.353 5.867 1.00 0.00 O ATOM 671 CB ARG A 47 6.096 -18.516 3.316 1.00 0.00 C ATOM 672 CG ARG A 47 5.976 -19.602 2.247 1.00 0.00 C ATOM 673 CD ARG A 47 7.161 -20.562 2.359 1.00 0.00 C ATOM 674 NE ARG A 47 6.938 -21.573 1.287 1.00 0.00 N ATOM 675 CZ ARG A 47 7.422 -22.777 1.415 1.00 0.00 C ATOM 676 NH1 ARG A 47 8.692 -22.947 1.659 1.00 0.00 N ATOM 677 NH2 ARG A 47 6.635 -23.812 1.299 1.00 0.00 N ATOM 0 H ARG A 47 3.214 -18.056 2.306 1.00 0.00 H new ATOM 0 HA ARG A 47 4.148 -19.025 4.196 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.579 -17.632 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.723 -18.865 4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.040 -20.147 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.953 -19.150 1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.107 -20.040 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.198 -21.031 3.342 1.00 0.00 H new ATOM 0 HE ARG A 47 6.407 -21.323 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.307 -22.138 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.070 -23.889 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.642 -23.679 1.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.013 -24.754 1.399 1.00 0.00 H new ATOM 691 N SER A 48 3.927 -16.252 5.153 1.00 0.00 N ATOM 692 CA SER A 48 3.997 -15.329 6.325 1.00 0.00 C ATOM 693 C SER A 48 3.476 -16.042 7.579 1.00 0.00 C ATOM 694 O SER A 48 2.728 -16.995 7.478 1.00 0.00 O ATOM 695 CB SER A 48 3.088 -14.152 5.973 1.00 0.00 C ATOM 696 OG SER A 48 2.646 -13.519 7.166 1.00 0.00 O ATOM 0 H SER A 48 3.168 -16.070 4.496 1.00 0.00 H new ATOM 0 HA SER A 48 5.017 -15.004 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.625 -13.439 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.232 -14.500 5.395 1.00 0.00 H new ATOM 0 HG SER A 48 1.835 -13.963 7.491 1.00 0.00 H new ATOM 702 N PRO A 49 3.882 -15.556 8.725 1.00 0.00 N ATOM 703 CA PRO A 49 3.436 -16.166 10.002 1.00 0.00 C ATOM 704 C PRO A 49 1.954 -15.861 10.250 1.00 0.00 C ATOM 705 O PRO A 49 1.484 -14.771 9.999 1.00 0.00 O ATOM 706 CB PRO A 49 4.314 -15.488 11.050 1.00 0.00 C ATOM 707 CG PRO A 49 4.718 -14.188 10.431 1.00 0.00 C ATOM 708 CD PRO A 49 4.785 -14.416 8.944 1.00 0.00 C ATOM 0 HA PRO A 49 3.529 -17.252 10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.768 -15.330 11.980 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.184 -16.098 11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.998 -13.406 10.670 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.684 -13.860 10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.461 -13.536 8.389 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.801 -14.641 8.619 1.00 0.00 H new ATOM 716 N LYS A 50 1.213 -16.822 10.736 1.00 0.00 N ATOM 717 CA LYS A 50 -0.241 -16.597 10.999 1.00 0.00 C ATOM 718 C LYS A 50 -0.460 -15.300 11.777 1.00 0.00 C ATOM 719 O LYS A 50 -1.489 -14.665 11.660 1.00 0.00 O ATOM 720 CB LYS A 50 -0.681 -17.800 11.834 1.00 0.00 C ATOM 721 CG LYS A 50 -2.187 -17.722 12.088 1.00 0.00 C ATOM 722 CD LYS A 50 -2.553 -18.656 13.244 1.00 0.00 C ATOM 723 CE LYS A 50 -3.903 -18.240 13.831 1.00 0.00 C ATOM 724 NZ LYS A 50 -4.001 -18.981 15.119 1.00 0.00 N ATOM 0 H LYS A 50 1.553 -17.757 10.963 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.811 -16.504 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.437 -18.726 11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.142 -17.815 12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.475 -16.698 12.327 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.734 -18.005 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.600 -19.686 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.783 -18.617 14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.951 -17.163 13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.723 -18.500 13.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.001 -19.074 15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.583 -19.927 15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.488 -18.460 15.859 1.00 0.00 H new ATOM 738 N ASN A 51 0.496 -14.893 12.562 1.00 0.00 N ATOM 739 CA ASN A 51 0.323 -13.628 13.328 1.00 0.00 C ATOM 740 C ASN A 51 0.289 -12.433 12.370 1.00 0.00 C ATOM 741 O ASN A 51 -0.049 -11.332 12.753 1.00 0.00 O ATOM 742 CB ASN A 51 1.535 -13.548 14.255 1.00 0.00 C ATOM 743 CG ASN A 51 1.352 -12.385 15.233 1.00 0.00 C ATOM 744 OD1 ASN A 51 0.310 -11.764 15.268 1.00 0.00 O ATOM 745 ND2 ASN A 51 2.329 -12.066 16.037 1.00 0.00 N ATOM 0 H ASN A 51 1.383 -15.376 12.706 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.611 -13.610 13.889 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.650 -14.483 14.803 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.444 -13.407 13.671 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.217 -11.295 16.695 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.205 -12.588 16.008 1.00 0.00 H new ATOM 752 N GLN A 52 0.623 -12.643 11.125 1.00 0.00 N ATOM 753 CA GLN A 52 0.592 -11.521 10.154 1.00 0.00 C ATOM 754 C GLN A 52 -0.791 -11.426 9.499 1.00 0.00 C ATOM 755 O GLN A 52 -1.047 -10.544 8.702 1.00 0.00 O ATOM 756 CB GLN A 52 1.659 -11.870 9.114 1.00 0.00 C ATOM 757 CG GLN A 52 2.672 -10.727 9.019 1.00 0.00 C ATOM 758 CD GLN A 52 1.986 -9.485 8.448 1.00 0.00 C ATOM 759 OE1 GLN A 52 1.237 -9.600 7.385 1.00 0.00 O flip ATOM 760 NE2 GLN A 52 2.132 -8.400 8.975 1.00 0.00 N flip ATOM 0 H GLN A 52 0.915 -13.542 10.743 1.00 0.00 H new ATOM 0 HA GLN A 52 0.784 -10.558 10.627 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.164 -12.795 9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.194 -12.040 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.083 -10.508 10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.508 -11.019 8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.717 -8.311 9.806 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.669 -7.578 8.587 1.00 0.00 H new ATOM 769 N PHE A 53 -1.694 -12.323 9.824 1.00 0.00 N ATOM 770 CA PHE A 53 -3.049 -12.252 9.207 1.00 0.00 C ATOM 771 C PHE A 53 -3.963 -11.363 10.049 1.00 0.00 C ATOM 772 O PHE A 53 -4.131 -11.576 11.234 1.00 0.00 O ATOM 773 CB PHE A 53 -3.569 -13.687 9.198 1.00 0.00 C ATOM 774 CG PHE A 53 -2.776 -14.503 8.204 1.00 0.00 C ATOM 775 CD1 PHE A 53 -1.451 -14.857 8.483 1.00 0.00 C ATOM 776 CD2 PHE A 53 -3.368 -14.900 7.001 1.00 0.00 C ATOM 777 CE1 PHE A 53 -0.718 -15.608 7.557 1.00 0.00 C ATOM 778 CE2 PHE A 53 -2.636 -15.653 6.075 1.00 0.00 C ATOM 779 CZ PHE A 53 -1.311 -16.007 6.353 1.00 0.00 C ATOM 0 H PHE A 53 -1.550 -13.090 10.481 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.018 -11.827 8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.483 -14.123 10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.627 -13.700 8.934 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.994 -14.551 9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.390 -14.626 6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.305 -15.880 7.771 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.094 -15.961 5.146 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.746 -16.588 5.639 1.00 0.00 H new ATOM 789 N LYS A 54 -4.558 -10.372 9.450 1.00 0.00 N ATOM 790 CA LYS A 54 -5.464 -9.480 10.223 1.00 0.00 C ATOM 791 C LYS A 54 -6.914 -9.922 10.036 1.00 0.00 C ATOM 792 O LYS A 54 -7.328 -10.293 8.956 1.00 0.00 O ATOM 793 CB LYS A 54 -5.240 -8.082 9.645 1.00 0.00 C ATOM 794 CG LYS A 54 -6.171 -7.088 10.342 1.00 0.00 C ATOM 795 CD LYS A 54 -5.353 -6.180 11.262 1.00 0.00 C ATOM 796 CE LYS A 54 -6.265 -5.595 12.342 1.00 0.00 C ATOM 797 NZ LYS A 54 -5.502 -5.751 13.613 1.00 0.00 N ATOM 0 H LYS A 54 -4.457 -10.141 8.462 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.260 -9.507 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.201 -7.782 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.431 -8.085 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.701 -6.490 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.925 -7.623 10.919 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.543 -6.745 11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.894 -5.378 10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.492 -4.548 12.143 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.217 -6.124 12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.062 -5.372 14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.307 -6.759 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.604 -5.231 13.545 1.00 0.00 H new ATOM 811 N SER A 55 -7.684 -9.893 11.084 1.00 0.00 N ATOM 812 CA SER A 55 -9.109 -10.321 10.978 1.00 0.00 C ATOM 813 C SER A 55 -9.957 -9.192 10.388 1.00 0.00 C ATOM 814 O SER A 55 -9.625 -8.029 10.501 1.00 0.00 O ATOM 815 CB SER A 55 -9.555 -10.638 12.415 1.00 0.00 C ATOM 816 OG SER A 55 -8.448 -10.574 13.304 1.00 0.00 O ATOM 0 H SER A 55 -7.390 -9.591 12.013 1.00 0.00 H new ATOM 0 HA SER A 55 -9.226 -11.185 10.324 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.322 -9.930 12.729 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.003 -11.631 12.453 1.00 0.00 H new ATOM 0 HG SER A 55 -7.728 -11.151 12.972 1.00 0.00 H new ATOM 822 N ILE A 56 -11.050 -9.527 9.757 1.00 0.00 N ATOM 823 CA ILE A 56 -11.918 -8.474 9.159 1.00 0.00 C ATOM 824 C ILE A 56 -13.389 -8.898 9.227 1.00 0.00 C ATOM 825 O ILE A 56 -13.954 -9.372 8.261 1.00 0.00 O ATOM 826 CB ILE A 56 -11.455 -8.361 7.705 1.00 0.00 C ATOM 827 CG1 ILE A 56 -12.295 -7.307 6.980 1.00 0.00 C ATOM 828 CG2 ILE A 56 -11.621 -9.713 7.009 1.00 0.00 C ATOM 829 CD1 ILE A 56 -11.563 -5.964 7.017 1.00 0.00 C ATOM 0 H ILE A 56 -11.379 -10.484 9.630 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.840 -7.523 9.686 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.406 -8.067 7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.469 -7.611 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.272 -7.215 7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.291 -9.632 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.021 -10.463 7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.670 -10.009 7.034 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.159 -5.211 6.501 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.412 -5.660 8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -10.596 -6.063 6.523 1.00 0.00 H new ATOM 841 N LYS A 57 -14.012 -8.731 10.361 1.00 0.00 N ATOM 842 CA LYS A 57 -15.444 -9.125 10.489 1.00 0.00 C ATOM 843 C LYS A 57 -16.267 -7.952 11.026 1.00 0.00 C ATOM 844 O LYS A 57 -16.661 -7.931 12.174 1.00 0.00 O ATOM 845 CB LYS A 57 -15.450 -10.283 11.487 1.00 0.00 C ATOM 846 CG LYS A 57 -14.533 -11.397 10.980 1.00 0.00 C ATOM 847 CD LYS A 57 -13.237 -11.401 11.793 1.00 0.00 C ATOM 848 CE LYS A 57 -13.532 -11.851 13.224 1.00 0.00 C ATOM 849 NZ LYS A 57 -13.618 -13.337 13.146 1.00 0.00 N ATOM 0 H LYS A 57 -13.592 -8.339 11.204 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.881 -9.410 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.114 -9.937 12.464 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.464 -10.662 11.615 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.033 -12.362 11.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.311 -11.247 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.509 -12.070 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.796 -10.404 11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.744 -11.536 13.908 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.464 -11.420 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.717 -13.730 14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.443 -13.607 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.754 -13.712 12.706 1.00 0.00 H new ATOM 863 N LYS A 58 -16.530 -6.973 10.203 1.00 0.00 N ATOM 864 CA LYS A 58 -17.328 -5.802 10.668 1.00 0.00 C ATOM 865 C LYS A 58 -18.454 -5.504 9.676 1.00 0.00 C ATOM 866 O LYS A 58 -18.545 -6.109 8.626 1.00 0.00 O ATOM 867 CB LYS A 58 -16.336 -4.641 10.717 1.00 0.00 C ATOM 868 CG LYS A 58 -15.576 -4.674 12.046 1.00 0.00 C ATOM 869 CD LYS A 58 -14.078 -4.835 11.775 1.00 0.00 C ATOM 870 CE LYS A 58 -13.459 -3.462 11.499 1.00 0.00 C ATOM 871 NZ LYS A 58 -12.023 -3.739 11.209 1.00 0.00 N ATOM 0 H LYS A 58 -16.227 -6.933 9.230 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.796 -5.979 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -15.636 -4.711 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.864 -3.693 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.759 -3.756 12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.935 -5.498 12.662 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.590 -5.300 12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.921 -5.495 10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.945 -2.972 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.568 -2.800 12.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.530 -2.845 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.585 -4.199 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.950 -4.366 10.383 1.00 0.00 H new ATOM 885 N VAL A 59 -19.314 -4.577 9.999 1.00 0.00 N ATOM 886 CA VAL A 59 -20.433 -4.243 9.072 1.00 0.00 C ATOM 887 C VAL A 59 -20.734 -2.742 9.126 1.00 0.00 C ATOM 888 O VAL A 59 -20.379 -2.061 10.068 1.00 0.00 O ATOM 889 CB VAL A 59 -21.627 -5.047 9.587 1.00 0.00 C ATOM 890 CG1 VAL A 59 -21.307 -6.541 9.511 1.00 0.00 C ATOM 891 CG2 VAL A 59 -21.913 -4.661 11.039 1.00 0.00 C ATOM 0 H VAL A 59 -19.290 -4.037 10.864 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.196 -4.483 8.035 1.00 0.00 H new ATOM 0 HB VAL A 59 -22.502 -4.831 8.974 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -22.158 -7.115 9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.102 -6.817 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -20.432 -6.757 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -22.764 -5.234 11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -21.038 -4.877 11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -22.141 -3.597 11.094 1.00 0.00 H new ATOM 901 N ILE A 60 -21.390 -2.223 8.125 1.00 0.00 N ATOM 902 CA ILE A 60 -21.718 -0.768 8.120 1.00 0.00 C ATOM 903 C ILE A 60 -23.230 -0.574 8.258 1.00 0.00 C ATOM 904 O ILE A 60 -23.997 -0.986 7.411 1.00 0.00 O ATOM 905 CB ILE A 60 -21.231 -0.254 6.765 1.00 0.00 C ATOM 906 CG1 ILE A 60 -19.751 -0.597 6.588 1.00 0.00 C ATOM 907 CG2 ILE A 60 -21.413 1.263 6.698 1.00 0.00 C ATOM 908 CD1 ILE A 60 -19.282 -0.134 5.206 1.00 0.00 C ATOM 0 H ILE A 60 -21.714 -2.743 7.310 1.00 0.00 H new ATOM 0 HA ILE A 60 -21.250 -0.234 8.946 1.00 0.00 H new ATOM 0 HB ILE A 60 -21.810 -0.725 5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -19.159 -0.114 7.365 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.600 -1.671 6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -21.066 1.629 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.468 1.509 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -20.835 1.734 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -18.227 -0.378 5.079 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.866 -0.638 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -19.418 0.944 5.118 1.00 0.00 H new ATOM 920 N ALA A 61 -23.665 0.048 9.321 1.00 0.00 N ATOM 921 CA ALA A 61 -25.130 0.261 9.511 1.00 0.00 C ATOM 922 C ALA A 61 -25.464 1.753 9.461 1.00 0.00 C ATOM 923 O ALA A 61 -24.707 2.553 8.947 1.00 0.00 O ATOM 924 CB ALA A 61 -25.435 -0.309 10.896 1.00 0.00 C ATOM 0 H ALA A 61 -23.072 0.417 10.064 1.00 0.00 H new ATOM 0 HA ALA A 61 -25.720 -0.220 8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -26.497 -0.191 11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -25.176 -1.367 10.919 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -24.850 0.224 11.646 1.00 0.00 H new ATOM 930 N GLY A 62 -26.596 2.134 9.989 1.00 0.00 N ATOM 931 CA GLY A 62 -26.980 3.574 9.970 1.00 0.00 C ATOM 932 C GLY A 62 -26.793 4.173 11.366 1.00 0.00 C ATOM 933 O GLY A 62 -25.698 4.525 11.757 1.00 0.00 O ATOM 0 H GLY A 62 -27.271 1.510 10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -26.369 4.114 9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -28.018 3.680 9.654 1.00 0.00 H new ATOM 937 N PHE A 63 -27.852 4.292 12.119 1.00 0.00 N ATOM 938 CA PHE A 63 -27.732 4.873 13.487 1.00 0.00 C ATOM 939 C PHE A 63 -28.985 4.563 14.312 1.00 0.00 C ATOM 940 O PHE A 63 -30.035 4.266 13.776 1.00 0.00 O ATOM 941 CB PHE A 63 -27.595 6.381 13.264 1.00 0.00 C ATOM 942 CG PHE A 63 -28.842 6.902 12.588 1.00 0.00 C ATOM 943 CD1 PHE A 63 -29.939 7.305 13.358 1.00 0.00 C ATOM 944 CD2 PHE A 63 -28.900 6.981 11.191 1.00 0.00 C ATOM 945 CE1 PHE A 63 -31.095 7.786 12.733 1.00 0.00 C ATOM 946 CE2 PHE A 63 -30.056 7.463 10.565 1.00 0.00 C ATOM 947 CZ PHE A 63 -31.154 7.865 11.336 1.00 0.00 C ATOM 0 H PHE A 63 -28.794 4.012 11.847 1.00 0.00 H new ATOM 0 HA PHE A 63 -26.885 4.461 14.036 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -27.445 6.889 14.217 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -26.720 6.591 12.649 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -29.893 7.245 14.435 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -28.053 6.670 10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -31.941 8.096 13.328 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -30.101 7.525 9.488 1.00 0.00 H new ATOM 0 HZ PHE A 63 -32.046 8.236 10.853 1.00 0.00 H new ATOM 957 N ALA A 64 -28.885 4.636 15.611 1.00 0.00 N ATOM 958 CA ALA A 64 -30.071 4.353 16.470 1.00 0.00 C ATOM 959 C ALA A 64 -30.104 5.328 17.650 1.00 0.00 C ATOM 960 O ALA A 64 -30.182 4.931 18.795 1.00 0.00 O ATOM 961 CB ALA A 64 -29.873 2.919 16.964 1.00 0.00 C ATOM 0 H ALA A 64 -28.033 4.880 16.116 1.00 0.00 H new ATOM 0 HA ALA A 64 -31.011 4.469 15.931 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -30.708 2.636 17.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -29.826 2.243 16.110 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -28.944 2.854 17.530 1.00 0.00 H new ATOM 967 N GLU A 65 -30.039 6.603 17.378 1.00 0.00 N ATOM 968 CA GLU A 65 -30.061 7.603 18.484 1.00 0.00 C ATOM 969 C GLU A 65 -31.397 8.351 18.501 1.00 0.00 C ATOM 970 O GLU A 65 -31.439 9.561 18.607 1.00 0.00 O ATOM 971 CB GLU A 65 -28.914 8.566 18.173 1.00 0.00 C ATOM 972 CG GLU A 65 -29.101 9.148 16.770 1.00 0.00 C ATOM 973 CD GLU A 65 -28.475 10.542 16.709 1.00 0.00 C ATOM 974 OE1 GLU A 65 -28.458 11.208 17.732 1.00 0.00 O ATOM 975 OE2 GLU A 65 -28.023 10.921 15.641 1.00 0.00 O ATOM 0 H GLU A 65 -29.972 6.995 16.439 1.00 0.00 H new ATOM 0 HA GLU A 65 -29.948 7.135 19.462 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -28.889 9.368 18.910 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -27.959 8.044 18.237 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -28.637 8.497 16.030 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -30.162 9.203 16.526 1.00 0.00 H new ATOM 982 N ASN A 66 -32.489 7.643 18.401 1.00 0.00 N ATOM 983 CA ASN A 66 -33.818 8.320 18.417 1.00 0.00 C ATOM 984 C ASN A 66 -33.952 9.184 19.674 1.00 0.00 C ATOM 985 O ASN A 66 -33.347 8.912 20.692 1.00 0.00 O ATOM 986 CB ASN A 66 -34.841 7.185 18.434 1.00 0.00 C ATOM 987 CG ASN A 66 -34.583 6.284 19.643 1.00 0.00 C ATOM 988 OD1 ASN A 66 -33.483 5.803 19.834 1.00 0.00 O ATOM 989 ND2 ASN A 66 -35.558 6.032 20.474 1.00 0.00 N ATOM 0 H ASN A 66 -32.519 6.628 18.309 1.00 0.00 H new ATOM 0 HA ASN A 66 -33.958 8.979 17.560 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -35.851 7.592 18.479 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -34.772 6.605 17.514 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -35.396 5.432 21.283 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -36.481 6.435 20.314 1.00 0.00 H new ATOM 996 N GLN A 67 -34.740 10.223 19.612 1.00 0.00 N ATOM 997 CA GLN A 67 -34.910 11.101 20.805 1.00 0.00 C ATOM 998 C GLN A 67 -36.144 11.993 20.634 1.00 0.00 C ATOM 999 O GLN A 67 -36.201 13.094 21.143 1.00 0.00 O ATOM 1000 CB GLN A 67 -33.637 11.947 20.857 1.00 0.00 C ATOM 1001 CG GLN A 67 -33.549 12.818 19.603 1.00 0.00 C ATOM 1002 CD GLN A 67 -32.080 13.077 19.259 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -31.215 12.302 19.615 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -31.761 14.142 18.576 1.00 0.00 N ATOM 0 H GLN A 67 -35.273 10.502 18.788 1.00 0.00 H new ATOM 0 HA GLN A 67 -35.057 10.530 21.722 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -33.641 12.574 21.748 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -32.762 11.301 20.926 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -34.046 12.323 18.769 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -34.066 13.763 19.767 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -32.487 14.793 18.277 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -30.785 14.324 18.341 1.00 0.00 H new ATOM 1013 N LYS A 68 -37.132 11.526 19.919 1.00 0.00 N ATOM 1014 CA LYS A 68 -38.359 12.349 19.714 1.00 0.00 C ATOM 1015 C LYS A 68 -39.396 12.035 20.794 1.00 0.00 C ATOM 1016 O LYS A 68 -40.559 11.824 20.511 1.00 0.00 O ATOM 1017 CB LYS A 68 -38.880 11.942 18.336 1.00 0.00 C ATOM 1018 CG LYS A 68 -38.766 13.130 17.377 1.00 0.00 C ATOM 1019 CD LYS A 68 -40.156 13.717 17.126 1.00 0.00 C ATOM 1020 CE LYS A 68 -40.533 14.646 18.282 1.00 0.00 C ATOM 1021 NZ LYS A 68 -40.386 16.021 17.730 1.00 0.00 N ATOM 0 H LYS A 68 -37.143 10.611 19.468 1.00 0.00 H new ATOM 0 HA LYS A 68 -38.154 13.418 19.775 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -38.308 11.096 17.954 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -39.918 11.618 18.409 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -38.109 13.890 17.799 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -38.319 12.810 16.436 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -40.166 14.267 16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -40.890 12.916 17.035 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -41.553 14.463 18.620 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -39.880 14.493 19.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -40.627 16.717 18.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -39.404 16.168 17.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -41.024 16.139 16.918 1.00 0.00 H new ATOM 1035 N TYR A 69 -38.986 12.001 22.033 1.00 0.00 N ATOM 1036 CA TYR A 69 -39.950 11.701 23.131 1.00 0.00 C ATOM 1037 C TYR A 69 -40.336 12.988 23.865 1.00 0.00 C ATOM 1038 O TYR A 69 -39.999 14.078 23.447 1.00 0.00 O ATOM 1039 CB TYR A 69 -39.199 10.755 24.069 1.00 0.00 C ATOM 1040 CG TYR A 69 -39.232 9.356 23.504 1.00 0.00 C ATOM 1041 CD1 TYR A 69 -40.457 8.758 23.188 1.00 0.00 C ATOM 1042 CD2 TYR A 69 -38.036 8.658 23.296 1.00 0.00 C ATOM 1043 CE1 TYR A 69 -40.487 7.460 22.662 1.00 0.00 C ATOM 1044 CE2 TYR A 69 -38.066 7.360 22.771 1.00 0.00 C ATOM 1045 CZ TYR A 69 -39.291 6.762 22.454 1.00 0.00 C ATOM 1046 OH TYR A 69 -39.320 5.483 21.936 1.00 0.00 O ATOM 0 H TYR A 69 -38.025 12.168 22.333 1.00 0.00 H new ATOM 0 HA TYR A 69 -40.874 11.259 22.759 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -38.167 11.087 24.188 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -39.655 10.770 25.059 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -41.379 9.297 23.350 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -37.091 9.120 23.540 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -41.432 6.998 22.417 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -37.144 6.821 22.611 1.00 0.00 H new ATOM 0 HH TYR A 69 -38.405 5.143 21.854 1.00 0.00 H new ATOM 1056 N GLY A 70 -41.040 12.869 24.958 1.00 0.00 N ATOM 1057 CA GLY A 70 -41.447 14.084 25.719 1.00 0.00 C ATOM 1058 C GLY A 70 -42.203 13.664 26.982 1.00 0.00 C ATOM 1059 O GLY A 70 -41.800 12.688 27.592 1.00 0.00 O ATOM 1060 OXT GLY A 70 -43.172 14.326 27.316 1.00 0.00 O ATOM 0 H GLY A 70 -41.351 11.983 25.357 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -40.568 14.670 25.986 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -42.078 14.720 25.099 1.00 0.00 H new TER 1064 GLY A 70 HETATM 1065 ZN ZN A 71 0.391 -14.120 2.913 1.00 0.00 ZN