USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 560 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 NoAdj-H: A 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 65 THR OG1 : rot 180:sc= -0.997 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 132:sc= -5.16! (180deg=-7.96!) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 MET CE :methyl -165:sc= -0.0363 (180deg=-0.336) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -45:sc= 0.561 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -130:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= -1.43! (180deg=-3.41!) USER MOD Single : A 70 HIS : no HE2:sc= -0.289 K(o=-0.29,f=-3.7) USER MOD Single : A 77 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0544) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.5) USER MOD Single : A 90 MET CE :methyl -167:sc= -0.0466 (180deg=-0.432) USER MOD Single : A 91 THR OG1 : rot -83:sc= 1.04 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.4!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -124:sc= 0.0279 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot 135:sc= 0.442 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot -78:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 -1.847 0.211 13.637 1.00 0.00 N ATOM 2 CA GLY A 56 -2.087 1.148 12.556 1.00 0.00 C ATOM 3 C GLY A 56 -1.589 2.543 12.877 1.00 0.00 C ATOM 4 O GLY A 56 -2.067 3.180 13.816 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.595 0.789 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.155 1.187 12.343 1.00 0.00 H new ATOM 8 N SER A 57 -0.624 3.020 12.096 1.00 0.00 N ATOM 9 CA SER A 57 -0.057 4.347 12.306 1.00 0.00 C ATOM 10 C SER A 57 -1.144 5.416 12.256 1.00 0.00 C ATOM 11 O SER A 57 -1.172 6.326 13.084 1.00 0.00 O ATOM 12 CB SER A 57 1.012 4.640 11.251 1.00 0.00 C ATOM 13 OG SER A 57 0.521 4.391 9.945 1.00 0.00 O ATOM 0 H SER A 57 -0.219 2.507 11.313 1.00 0.00 H new ATOM 0 HA SER A 57 0.403 4.367 13.294 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.331 5.679 11.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.890 4.022 11.437 1.00 0.00 H new ATOM 0 HG SER A 57 1.222 4.587 9.289 1.00 0.00 H new ATOM 19 N SER A 58 -2.036 5.299 11.278 1.00 0.00 N ATOM 20 CA SER A 58 -3.124 6.257 11.117 1.00 0.00 C ATOM 21 C SER A 58 -4.371 5.794 11.864 1.00 0.00 C ATOM 22 O SER A 58 -5.481 6.241 11.578 1.00 0.00 O ATOM 23 CB SER A 58 -3.446 6.449 9.633 1.00 0.00 C ATOM 24 OG SER A 58 -4.331 7.539 9.441 1.00 0.00 O ATOM 0 H SER A 58 -2.027 4.551 10.585 1.00 0.00 H new ATOM 0 HA SER A 58 -2.802 7.209 11.539 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.525 6.622 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.893 5.539 9.234 1.00 0.00 H new ATOM 0 HG SER A 58 -5.053 7.495 10.102 1.00 0.00 H new ATOM 30 N GLY A 59 -4.179 4.894 12.823 1.00 0.00 N ATOM 31 CA GLY A 59 -5.296 4.384 13.597 1.00 0.00 C ATOM 32 C GLY A 59 -6.133 3.387 12.820 1.00 0.00 C ATOM 33 O GLY A 59 -5.785 2.210 12.733 1.00 0.00 O ATOM 0 H GLY A 59 -3.270 4.509 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.919 3.909 14.503 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.926 5.216 13.911 1.00 0.00 H new ATOM 37 N SER A 60 -7.239 3.859 12.255 1.00 0.00 N ATOM 38 CA SER A 60 -8.131 2.999 11.486 1.00 0.00 C ATOM 39 C SER A 60 -7.387 2.341 10.329 1.00 0.00 C ATOM 40 O SER A 60 -6.381 2.862 9.847 1.00 0.00 O ATOM 41 CB SER A 60 -9.316 3.806 10.952 1.00 0.00 C ATOM 42 OG SER A 60 -8.927 4.625 9.863 1.00 0.00 O ATOM 0 H SER A 60 -7.539 4.832 12.315 1.00 0.00 H new ATOM 0 HA SER A 60 -8.502 2.217 12.148 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.109 3.128 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.726 4.426 11.749 1.00 0.00 H new ATOM 0 HG SER A 60 -9.703 5.129 9.539 1.00 0.00 H new ATOM 48 N SER A 61 -7.889 1.192 9.888 1.00 0.00 N ATOM 49 CA SER A 61 -7.270 0.459 8.789 1.00 0.00 C ATOM 50 C SER A 61 -7.729 1.010 7.442 1.00 0.00 C ATOM 51 O SER A 61 -7.955 0.257 6.496 1.00 0.00 O ATOM 52 CB SER A 61 -7.610 -1.030 8.887 1.00 0.00 C ATOM 53 OG SER A 61 -7.150 -1.578 10.110 1.00 0.00 O ATOM 0 H SER A 61 -8.722 0.748 10.274 1.00 0.00 H new ATOM 0 HA SER A 61 -6.190 0.584 8.864 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.688 -1.166 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.158 -1.565 8.052 1.00 0.00 H new ATOM 0 HG SER A 61 -6.643 -2.397 9.931 1.00 0.00 H new ATOM 59 N GLY A 62 -7.863 2.330 7.365 1.00 0.00 N ATOM 60 CA GLY A 62 -8.294 2.960 6.130 1.00 0.00 C ATOM 61 C GLY A 62 -9.291 2.114 5.364 1.00 0.00 C ATOM 62 O GLY A 62 -10.085 1.388 5.960 1.00 0.00 O ATOM 0 H GLY A 62 -7.681 2.974 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.742 3.928 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.425 3.151 5.501 1.00 0.00 H new ATOM 66 N GLU A 63 -9.250 2.208 4.039 1.00 0.00 N ATOM 67 CA GLU A 63 -10.158 1.445 3.191 1.00 0.00 C ATOM 68 C GLU A 63 -9.952 -0.054 3.382 1.00 0.00 C ATOM 69 O GLU A 63 -9.069 -0.481 4.126 1.00 0.00 O ATOM 70 CB GLU A 63 -9.952 1.817 1.721 1.00 0.00 C ATOM 71 CG GLU A 63 -8.506 1.719 1.265 1.00 0.00 C ATOM 72 CD GLU A 63 -8.176 2.697 0.154 1.00 0.00 C ATOM 73 OE1 GLU A 63 -8.719 3.822 0.175 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.377 2.338 -0.735 1.00 0.00 O ATOM 0 H GLU A 63 -8.598 2.805 3.530 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.179 1.693 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.565 1.163 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.307 2.835 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.848 1.904 2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.305 0.704 0.922 1.00 0.00 H new ATOM 81 N LYS A 64 -10.773 -0.850 2.705 1.00 0.00 N ATOM 82 CA LYS A 64 -10.682 -2.302 2.797 1.00 0.00 C ATOM 83 C LYS A 64 -9.451 -2.818 2.059 1.00 0.00 C ATOM 84 O LYS A 64 -9.219 -4.025 1.984 1.00 0.00 O ATOM 85 CB LYS A 64 -11.943 -2.951 2.223 1.00 0.00 C ATOM 86 CG LYS A 64 -13.232 -2.347 2.752 1.00 0.00 C ATOM 87 CD LYS A 64 -14.450 -2.937 2.060 1.00 0.00 C ATOM 88 CE LYS A 64 -14.717 -4.361 2.521 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.396 -5.167 1.468 1.00 0.00 N ATOM 0 H LYS A 64 -11.510 -0.513 2.086 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.591 -2.569 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.927 -2.859 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.930 -4.017 2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.303 -2.521 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.216 -1.267 2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.323 -2.317 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.298 -2.925 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.775 -4.838 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.335 -4.342 3.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.560 -6.131 1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.307 -4.727 1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.795 -5.207 0.620 1.00 0.00 H new ATOM 103 N THR A 65 -8.661 -1.896 1.517 1.00 0.00 N ATOM 104 CA THR A 65 -7.454 -2.258 0.785 1.00 0.00 C ATOM 105 C THR A 65 -6.821 -3.520 1.359 1.00 0.00 C ATOM 106 O THR A 65 -6.310 -4.361 0.619 1.00 0.00 O ATOM 107 CB THR A 65 -6.417 -1.119 0.814 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.133 -1.615 0.420 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.325 -0.506 2.204 1.00 0.00 C ATOM 0 H THR A 65 -8.836 -0.893 1.571 1.00 0.00 H new ATOM 0 HA THR A 65 -7.753 -2.442 -0.247 1.00 0.00 H new ATOM 0 HB THR A 65 -6.738 -0.347 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.480 -0.884 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.587 0.296 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.297 -0.103 2.489 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.026 -1.271 2.920 1.00 0.00 H new ATOM 117 N VAL A 66 -6.860 -3.648 2.681 1.00 0.00 N ATOM 118 CA VAL A 66 -6.291 -4.810 3.354 1.00 0.00 C ATOM 119 C VAL A 66 -7.292 -5.959 3.405 1.00 0.00 C ATOM 120 O VAL A 66 -8.465 -5.762 3.721 1.00 0.00 O ATOM 121 CB VAL A 66 -5.847 -4.466 4.788 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.585 -5.736 5.585 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.613 -3.577 4.765 1.00 0.00 C ATOM 0 H VAL A 66 -7.280 -2.961 3.308 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.419 -5.116 2.776 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.652 -3.918 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.272 -5.473 6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.497 -6.332 5.631 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.798 -6.314 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.313 -3.344 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.800 -4.096 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.840 -2.653 4.234 1.00 0.00 H new ATOM 133 N VAL A 67 -6.820 -7.162 3.093 1.00 0.00 N ATOM 134 CA VAL A 67 -7.672 -8.345 3.105 1.00 0.00 C ATOM 135 C VAL A 67 -7.888 -8.853 4.526 1.00 0.00 C ATOM 136 O VAL A 67 -6.939 -8.994 5.297 1.00 0.00 O ATOM 137 CB VAL A 67 -7.071 -9.478 2.252 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.709 -10.812 2.611 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.242 -9.178 0.770 1.00 0.00 C ATOM 0 H VAL A 67 -5.852 -7.343 2.829 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.631 -8.049 2.679 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.004 -9.543 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.272 -11.601 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.530 -11.029 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.782 -10.763 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.812 -9.989 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.303 -9.085 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.734 -8.245 0.527 1.00 0.00 H new ATOM 149 N CYS A 68 -9.143 -9.127 4.866 1.00 0.00 N ATOM 150 CA CYS A 68 -9.485 -9.619 6.195 1.00 0.00 C ATOM 151 C CYS A 68 -8.663 -10.856 6.545 1.00 0.00 C ATOM 152 O CYS A 68 -8.472 -11.744 5.714 1.00 0.00 O ATOM 153 CB CYS A 68 -10.978 -9.948 6.271 1.00 0.00 C ATOM 154 SG CYS A 68 -11.579 -10.290 7.956 1.00 0.00 S ATOM 0 H CYS A 68 -9.940 -9.017 4.239 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.255 -8.835 6.916 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.544 -9.114 5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.181 -10.815 5.642 1.00 0.00 H new ATOM 159 N LYS A 69 -8.178 -10.907 7.781 1.00 0.00 N ATOM 160 CA LYS A 69 -7.378 -12.034 8.244 1.00 0.00 C ATOM 161 C LYS A 69 -8.270 -13.176 8.720 1.00 0.00 C ATOM 162 O LYS A 69 -7.833 -14.324 8.805 1.00 0.00 O ATOM 163 CB LYS A 69 -6.447 -11.594 9.376 1.00 0.00 C ATOM 164 CG LYS A 69 -7.178 -11.218 10.653 1.00 0.00 C ATOM 165 CD LYS A 69 -6.321 -10.337 11.547 1.00 0.00 C ATOM 166 CE LYS A 69 -5.974 -9.022 10.866 1.00 0.00 C ATOM 167 NZ LYS A 69 -4.686 -9.105 10.123 1.00 0.00 N ATOM 0 H LYS A 69 -8.325 -10.180 8.481 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.779 -12.390 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.746 -12.400 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.858 -10.741 9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.102 -10.696 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.458 -12.123 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.851 -10.137 12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.404 -10.865 11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.773 -8.748 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.912 -8.231 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.001 -8.442 10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.312 -10.073 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.844 -8.857 9.125 1.00 0.00 H new ATOM 181 N HIS A 70 -9.522 -12.854 9.027 1.00 0.00 N ATOM 182 CA HIS A 70 -10.477 -13.854 9.493 1.00 0.00 C ATOM 183 C HIS A 70 -11.033 -14.660 8.323 1.00 0.00 C ATOM 184 O HIS A 70 -10.922 -15.886 8.293 1.00 0.00 O ATOM 185 CB HIS A 70 -11.620 -13.183 10.254 1.00 0.00 C ATOM 186 CG HIS A 70 -11.157 -12.244 11.325 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.572 -11.025 11.055 1.00 0.00 N ATOM 188 CD2 HIS A 70 -11.197 -12.351 12.674 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.271 -10.423 12.192 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.640 -11.206 13.189 1.00 0.00 N ATOM 0 H HIS A 70 -9.900 -11.909 8.962 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.954 -14.535 10.165 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.244 -12.636 9.547 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.247 -13.953 10.704 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.399 -10.647 10.124 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.593 -13.182 13.240 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.803 -9.455 12.289 1.00 0.00 H new ATOM 198 N TRP A 71 -11.631 -13.964 7.363 1.00 0.00 N ATOM 199 CA TRP A 71 -12.205 -14.616 6.191 1.00 0.00 C ATOM 200 C TRP A 71 -11.213 -15.594 5.572 1.00 0.00 C ATOM 201 O TRP A 71 -11.594 -16.672 5.111 1.00 0.00 O ATOM 202 CB TRP A 71 -12.625 -13.572 5.156 1.00 0.00 C ATOM 203 CG TRP A 71 -12.650 -14.102 3.754 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.683 -14.753 3.142 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.594 -14.027 2.790 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.332 -15.088 1.857 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.056 -14.652 1.616 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.303 -13.490 2.804 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.272 -14.756 0.470 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.526 -13.594 1.666 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.012 -14.222 0.512 1.00 0.00 C ATOM 0 H TRP A 71 -11.731 -12.949 7.373 1.00 0.00 H new ATOM 0 HA TRP A 71 -13.085 -15.174 6.511 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.615 -13.195 5.412 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.939 -12.726 5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.636 -14.972 3.601 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.925 -15.582 1.190 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.920 -13.003 3.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.645 -15.241 -0.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.527 -13.184 1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.380 -14.286 -0.362 1.00 0.00 H new ATOM 222 N LEU A 72 -9.941 -15.214 5.563 1.00 0.00 N ATOM 223 CA LEU A 72 -8.893 -16.059 5.000 1.00 0.00 C ATOM 224 C LEU A 72 -9.049 -17.503 5.465 1.00 0.00 C ATOM 225 O LEU A 72 -9.288 -18.403 4.660 1.00 0.00 O ATOM 226 CB LEU A 72 -7.514 -15.529 5.397 1.00 0.00 C ATOM 227 CG LEU A 72 -7.022 -14.300 4.632 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.866 -13.641 5.368 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.608 -14.681 3.218 1.00 0.00 C ATOM 0 H LEU A 72 -9.609 -14.326 5.939 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.986 -16.035 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.532 -15.288 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.787 -16.330 5.264 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.841 -13.584 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.529 -12.768 4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.195 -13.332 6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.044 -14.350 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.261 -13.794 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.804 -15.416 3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.462 -15.107 2.691 1.00 0.00 H new ATOM 241 N ARG A 73 -8.915 -17.716 6.770 1.00 0.00 N ATOM 242 CA ARG A 73 -9.042 -19.050 7.344 1.00 0.00 C ATOM 243 C ARG A 73 -10.507 -19.401 7.586 1.00 0.00 C ATOM 244 O ARG A 73 -10.819 -20.421 8.199 1.00 0.00 O ATOM 245 CB ARG A 73 -8.260 -19.142 8.655 1.00 0.00 C ATOM 246 CG ARG A 73 -6.794 -19.495 8.468 1.00 0.00 C ATOM 247 CD ARG A 73 -6.247 -20.255 9.665 1.00 0.00 C ATOM 248 NE ARG A 73 -5.951 -19.369 10.788 1.00 0.00 N ATOM 249 CZ ARG A 73 -5.370 -19.775 11.911 1.00 0.00 C ATOM 250 NH1 ARG A 73 -5.024 -21.047 12.061 1.00 0.00 N ATOM 251 NH2 ARG A 73 -5.133 -18.909 12.888 1.00 0.00 N ATOM 0 H ARG A 73 -8.718 -16.981 7.450 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.628 -19.765 6.632 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.331 -18.188 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.726 -19.892 9.294 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.676 -20.098 7.568 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.215 -18.583 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.971 -21.007 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.341 -20.786 9.374 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.204 -18.384 10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.204 -21.716 11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.578 -21.356 12.925 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.397 -17.930 12.777 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.687 -19.222 13.750 1.00 0.00 H new ATOM 265 N GLY A 74 -11.403 -18.546 7.102 1.00 0.00 N ATOM 266 CA GLY A 74 -12.824 -18.782 7.277 1.00 0.00 C ATOM 267 C GLY A 74 -13.266 -18.617 8.717 1.00 0.00 C ATOM 268 O GLY A 74 -13.925 -19.494 9.277 1.00 0.00 O ATOM 0 H GLY A 74 -11.170 -17.694 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.384 -18.091 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.066 -19.790 6.939 1.00 0.00 H new ATOM 272 N LEU A 75 -12.902 -17.491 9.321 1.00 0.00 N ATOM 273 CA LEU A 75 -13.264 -17.214 10.706 1.00 0.00 C ATOM 274 C LEU A 75 -14.083 -15.931 10.809 1.00 0.00 C ATOM 275 O LEU A 75 -14.186 -15.331 11.880 1.00 0.00 O ATOM 276 CB LEU A 75 -12.006 -17.099 11.569 1.00 0.00 C ATOM 277 CG LEU A 75 -11.314 -18.416 11.924 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.394 -18.856 10.796 1.00 0.00 C ATOM 279 CD2 LEU A 75 -10.536 -18.276 13.225 1.00 0.00 C ATOM 0 H LEU A 75 -12.356 -16.755 8.873 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.873 -18.042 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.289 -16.464 11.049 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.270 -16.589 12.495 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.079 -19.181 12.061 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.910 -19.795 11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.976 -18.997 9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.635 -18.092 10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.050 -19.223 13.462 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.781 -17.498 13.115 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.219 -18.007 14.030 1.00 0.00 H new ATOM 291 N CYS A 76 -14.667 -15.517 9.689 1.00 0.00 N ATOM 292 CA CYS A 76 -15.479 -14.307 9.653 1.00 0.00 C ATOM 293 C CYS A 76 -16.919 -14.630 9.266 1.00 0.00 C ATOM 294 O CYS A 76 -17.181 -15.603 8.559 1.00 0.00 O ATOM 295 CB CYS A 76 -14.888 -13.300 8.664 1.00 0.00 C ATOM 296 SG CYS A 76 -15.197 -11.559 9.101 1.00 0.00 S ATOM 0 H CYS A 76 -14.593 -16.002 8.795 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.478 -13.869 10.651 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.812 -13.461 8.597 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.301 -13.494 7.674 1.00 0.00 H new ATOM 301 N LYS A 77 -17.851 -13.806 9.735 1.00 0.00 N ATOM 302 CA LYS A 77 -19.265 -14.002 9.438 1.00 0.00 C ATOM 303 C LYS A 77 -19.923 -12.686 9.034 1.00 0.00 C ATOM 304 O LYS A 77 -21.140 -12.531 9.139 1.00 0.00 O ATOM 305 CB LYS A 77 -19.985 -14.593 10.652 1.00 0.00 C ATOM 306 CG LYS A 77 -21.345 -15.185 10.324 1.00 0.00 C ATOM 307 CD LYS A 77 -21.238 -16.653 9.947 1.00 0.00 C ATOM 308 CE LYS A 77 -22.610 -17.291 9.793 1.00 0.00 C ATOM 309 NZ LYS A 77 -23.278 -17.494 11.109 1.00 0.00 N ATOM 0 H LYS A 77 -17.652 -12.996 10.322 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.343 -14.698 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.358 -15.367 11.094 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.109 -13.815 11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.007 -15.076 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.796 -14.629 9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.684 -16.750 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.672 -17.186 10.711 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.235 -16.660 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.510 -18.250 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.128 -18.079 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -22.623 -17.972 11.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.550 -16.572 11.506 1.00 0.00 H new ATOM 323 N LYS A 78 -19.112 -11.742 8.572 1.00 0.00 N ATOM 324 CA LYS A 78 -19.614 -10.440 8.149 1.00 0.00 C ATOM 325 C LYS A 78 -19.894 -10.425 6.650 1.00 0.00 C ATOM 326 O LYS A 78 -20.920 -9.911 6.205 1.00 0.00 O ATOM 327 CB LYS A 78 -18.608 -9.342 8.501 1.00 0.00 C ATOM 328 CG LYS A 78 -18.254 -9.293 9.978 1.00 0.00 C ATOM 329 CD LYS A 78 -17.431 -8.060 10.313 1.00 0.00 C ATOM 330 CE LYS A 78 -17.485 -7.741 11.799 1.00 0.00 C ATOM 331 NZ LYS A 78 -16.319 -6.923 12.233 1.00 0.00 N ATOM 0 H LYS A 78 -18.102 -11.854 8.481 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.548 -10.251 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.697 -9.496 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -19.016 -8.377 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.168 -9.294 10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.696 -10.189 10.249 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.396 -8.219 10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.802 -7.208 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.408 -7.205 12.022 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.510 -8.670 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.393 -6.727 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.439 -7.444 12.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.310 -6.026 11.707 1.00 0.00 H new ATOM 345 N GLY A 79 -18.976 -10.994 5.875 1.00 0.00 N ATOM 346 CA GLY A 79 -19.144 -11.037 4.434 1.00 0.00 C ATOM 347 C GLY A 79 -18.955 -9.679 3.788 1.00 0.00 C ATOM 348 O GLY A 79 -17.825 -9.241 3.566 1.00 0.00 O ATOM 0 H GLY A 79 -18.119 -11.426 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.429 -11.741 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.140 -11.413 4.198 1.00 0.00 H new ATOM 352 N ASP A 80 -20.062 -9.011 3.484 1.00 0.00 N ATOM 353 CA ASP A 80 -20.013 -7.694 2.859 1.00 0.00 C ATOM 354 C ASP A 80 -20.105 -6.590 3.908 1.00 0.00 C ATOM 355 O ASP A 80 -20.168 -5.408 3.574 1.00 0.00 O ATOM 356 CB ASP A 80 -21.148 -7.546 1.844 1.00 0.00 C ATOM 357 CG ASP A 80 -21.207 -6.156 1.241 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.277 -5.796 0.489 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.183 -5.428 1.521 1.00 0.00 O ATOM 0 H ASP A 80 -21.004 -9.359 3.660 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.058 -7.600 2.342 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.018 -8.279 1.048 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -22.098 -7.769 2.330 1.00 0.00 H new ATOM 364 N GLN A 81 -20.113 -6.986 5.177 1.00 0.00 N ATOM 365 CA GLN A 81 -20.199 -6.030 6.274 1.00 0.00 C ATOM 366 C GLN A 81 -18.828 -5.794 6.899 1.00 0.00 C ATOM 367 O GLN A 81 -18.613 -4.800 7.594 1.00 0.00 O ATOM 368 CB GLN A 81 -21.178 -6.529 7.338 1.00 0.00 C ATOM 369 CG GLN A 81 -22.628 -6.516 6.884 1.00 0.00 C ATOM 370 CD GLN A 81 -23.025 -7.787 6.159 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.191 -8.840 6.775 1.00 0.00 O ATOM 372 NE2 GLN A 81 -23.180 -7.694 4.844 1.00 0.00 N ATOM 0 H GLN A 81 -20.061 -7.962 5.470 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.562 -5.085 5.871 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.905 -7.545 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.080 -5.910 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.275 -6.380 7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.791 -5.662 6.227 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.032 -6.800 4.375 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.447 -8.516 4.303 1.00 0.00 H new ATOM 381 N CYS A 82 -17.902 -6.713 6.647 1.00 0.00 N ATOM 382 CA CYS A 82 -16.551 -6.606 7.185 1.00 0.00 C ATOM 383 C CYS A 82 -15.926 -5.262 6.822 1.00 0.00 C ATOM 384 O CYS A 82 -16.405 -4.565 5.929 1.00 0.00 O ATOM 385 CB CYS A 82 -15.678 -7.746 6.658 1.00 0.00 C ATOM 386 SG CYS A 82 -14.141 -8.003 7.601 1.00 0.00 S ATOM 0 H CYS A 82 -18.063 -7.541 6.073 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.612 -6.677 8.271 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.258 -8.669 6.671 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.424 -7.543 5.618 1.00 0.00 H new ATOM 391 N GLU A 83 -14.852 -4.907 7.521 1.00 0.00 N ATOM 392 CA GLU A 83 -14.162 -3.646 7.272 1.00 0.00 C ATOM 393 C GLU A 83 -12.935 -3.863 6.391 1.00 0.00 C ATOM 394 O GLU A 83 -12.217 -2.918 6.065 1.00 0.00 O ATOM 395 CB GLU A 83 -13.747 -2.997 8.594 1.00 0.00 C ATOM 396 CG GLU A 83 -13.430 -3.999 9.691 1.00 0.00 C ATOM 397 CD GLU A 83 -12.542 -3.417 10.774 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.750 -2.503 10.463 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.639 -3.876 11.931 1.00 0.00 O ATOM 0 H GLU A 83 -14.441 -5.474 8.263 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.850 -2.981 6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.872 -2.370 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.548 -2.340 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.360 -4.349 10.138 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.940 -4.869 9.253 1.00 0.00 H new ATOM 406 N PHE A 84 -12.700 -5.114 6.011 1.00 0.00 N ATOM 407 CA PHE A 84 -11.560 -5.457 5.169 1.00 0.00 C ATOM 408 C PHE A 84 -12.011 -6.204 3.918 1.00 0.00 C ATOM 409 O PHE A 84 -13.147 -6.674 3.838 1.00 0.00 O ATOM 410 CB PHE A 84 -10.559 -6.309 5.952 1.00 0.00 C ATOM 411 CG PHE A 84 -9.917 -5.579 7.098 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.518 -5.557 8.346 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.714 -4.914 6.926 1.00 0.00 C ATOM 414 CE1 PHE A 84 -9.931 -4.887 9.402 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.121 -4.243 7.979 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.731 -4.228 9.218 1.00 0.00 C ATOM 0 H PHE A 84 -13.284 -5.908 6.273 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.076 -4.530 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.068 -7.194 6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.781 -6.658 5.273 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.457 -6.070 8.495 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.234 -4.920 5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.410 -4.878 10.370 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.181 -3.731 7.833 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.271 -3.702 10.041 1.00 0.00 H new ATOM 426 N LEU A 85 -11.115 -6.309 2.943 1.00 0.00 N ATOM 427 CA LEU A 85 -11.420 -6.999 1.694 1.00 0.00 C ATOM 428 C LEU A 85 -11.501 -8.507 1.911 1.00 0.00 C ATOM 429 O LEU A 85 -10.676 -9.088 2.616 1.00 0.00 O ATOM 430 CB LEU A 85 -10.359 -6.679 0.640 1.00 0.00 C ATOM 431 CG LEU A 85 -10.505 -5.335 -0.073 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.161 -4.866 -0.609 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.524 -5.435 -1.198 1.00 0.00 C ATOM 0 H LEU A 85 -10.171 -5.925 2.993 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.390 -6.649 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.380 -6.709 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.372 -7.469 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.862 -4.600 0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.285 -3.908 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.459 -4.753 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.775 -5.601 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.614 -4.469 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.197 -6.184 -1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.492 -5.724 -0.788 1.00 0.00 H new ATOM 445 N HIS A 86 -12.499 -9.135 1.297 1.00 0.00 N ATOM 446 CA HIS A 86 -12.686 -10.576 1.420 1.00 0.00 C ATOM 447 C HIS A 86 -12.246 -11.292 0.147 1.00 0.00 C ATOM 448 O HIS A 86 -12.618 -12.440 -0.090 1.00 0.00 O ATOM 449 CB HIS A 86 -14.150 -10.898 1.721 1.00 0.00 C ATOM 450 CG HIS A 86 -14.492 -10.830 3.177 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.588 -11.464 3.723 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.874 -10.199 4.203 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.630 -11.224 5.022 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.601 -10.459 5.338 1.00 0.00 N ATOM 0 H HIS A 86 -13.190 -8.669 0.710 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.068 -10.928 2.246 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.786 -10.202 1.174 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.377 -11.897 1.349 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.261 -12.030 3.206 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.976 -9.602 4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.379 -11.591 5.708 1.00 0.00 H new ATOM 462 N GLU A 87 -11.453 -10.604 -0.669 1.00 0.00 N ATOM 463 CA GLU A 87 -10.965 -11.174 -1.919 1.00 0.00 C ATOM 464 C GLU A 87 -9.441 -11.252 -1.923 1.00 0.00 C ATOM 465 O GLU A 87 -8.761 -10.343 -1.446 1.00 0.00 O ATOM 466 CB GLU A 87 -11.447 -10.341 -3.109 1.00 0.00 C ATOM 467 CG GLU A 87 -11.469 -8.846 -2.836 1.00 0.00 C ATOM 468 CD GLU A 87 -12.791 -8.377 -2.261 1.00 0.00 C ATOM 469 OE1 GLU A 87 -13.756 -8.228 -3.039 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.861 -8.160 -1.033 1.00 0.00 O ATOM 0 H GLU A 87 -11.135 -9.652 -0.487 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.364 -12.185 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.800 -10.536 -3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.450 -10.666 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.666 -8.595 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.269 -8.308 -3.763 1.00 0.00 H new ATOM 477 N TYR A 88 -8.912 -12.344 -2.464 1.00 0.00 N ATOM 478 CA TYR A 88 -7.469 -12.543 -2.528 1.00 0.00 C ATOM 479 C TYR A 88 -6.868 -11.795 -3.715 1.00 0.00 C ATOM 480 O TYR A 88 -6.983 -12.231 -4.860 1.00 0.00 O ATOM 481 CB TYR A 88 -7.142 -14.033 -2.632 1.00 0.00 C ATOM 482 CG TYR A 88 -5.873 -14.427 -1.911 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.627 -14.077 -2.416 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.920 -15.149 -0.725 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.464 -14.435 -1.761 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.763 -15.510 -0.062 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.537 -15.151 -0.584 1.00 0.00 C ATOM 488 OH TYR A 88 -2.382 -15.510 0.072 1.00 0.00 O ATOM 0 H TYR A 88 -9.461 -13.105 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.032 -12.145 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.974 -14.608 -2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.051 -14.304 -3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.566 -13.515 -3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.878 -15.433 -0.314 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.503 -14.156 -2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.818 -16.070 0.860 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.609 -16.009 0.884 1.00 0.00 H new ATOM 498 N ASP A 89 -6.226 -10.667 -3.431 1.00 0.00 N ATOM 499 CA ASP A 89 -5.604 -9.858 -4.473 1.00 0.00 C ATOM 500 C ASP A 89 -4.137 -9.592 -4.152 1.00 0.00 C ATOM 501 O ASP A 89 -3.812 -9.041 -3.100 1.00 0.00 O ATOM 502 CB ASP A 89 -6.352 -8.534 -4.635 1.00 0.00 C ATOM 503 CG ASP A 89 -6.289 -8.003 -6.054 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.228 -8.149 -6.696 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.302 -7.443 -6.522 1.00 0.00 O ATOM 0 H ASP A 89 -6.123 -10.292 -2.488 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.657 -10.413 -5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.394 -8.671 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.929 -7.795 -3.955 1.00 0.00 H new ATOM 510 N MET A 90 -3.255 -9.989 -5.064 1.00 0.00 N ATOM 511 CA MET A 90 -1.822 -9.793 -4.877 1.00 0.00 C ATOM 512 C MET A 90 -1.476 -8.307 -4.849 1.00 0.00 C ATOM 513 O MET A 90 -0.339 -7.929 -4.563 1.00 0.00 O ATOM 514 CB MET A 90 -1.041 -10.490 -5.992 1.00 0.00 C ATOM 515 CG MET A 90 -1.279 -11.990 -6.054 1.00 0.00 C ATOM 516 SD MET A 90 -0.967 -12.809 -4.478 1.00 0.00 S ATOM 517 CE MET A 90 0.761 -12.411 -4.226 1.00 0.00 C ATOM 0 H MET A 90 -3.507 -10.448 -5.939 1.00 0.00 H new ATOM 0 HA MET A 90 -1.542 -10.231 -3.919 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.316 -10.047 -6.949 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.024 -10.305 -5.849 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.308 -12.178 -6.359 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.635 -12.425 -6.819 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.163 -13.029 -3.423 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.316 -12.603 -5.144 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.857 -11.359 -3.957 1.00 0.00 H new ATOM 527 N THR A 91 -2.463 -7.468 -5.149 1.00 0.00 N ATOM 528 CA THR A 91 -2.262 -6.025 -5.160 1.00 0.00 C ATOM 529 C THR A 91 -2.852 -5.378 -3.912 1.00 0.00 C ATOM 530 O THR A 91 -2.177 -4.622 -3.213 1.00 0.00 O ATOM 531 CB THR A 91 -2.894 -5.379 -6.407 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.291 -5.690 -6.465 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.208 -5.865 -7.675 1.00 0.00 C ATOM 0 H THR A 91 -3.410 -7.764 -5.388 1.00 0.00 H new ATOM 0 HA THR A 91 -1.185 -5.856 -5.179 1.00 0.00 H new ATOM 0 HB THR A 91 -2.765 -4.299 -6.334 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.413 -6.571 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.672 -5.395 -8.542 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.151 -5.601 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.309 -6.948 -7.751 1.00 0.00 H new ATOM 541 N LYS A 92 -4.117 -5.679 -3.637 1.00 0.00 N ATOM 542 CA LYS A 92 -4.799 -5.129 -2.472 1.00 0.00 C ATOM 543 C LYS A 92 -4.209 -5.689 -1.181 1.00 0.00 C ATOM 544 O LYS A 92 -4.078 -4.976 -0.187 1.00 0.00 O ATOM 545 CB LYS A 92 -6.296 -5.439 -2.538 1.00 0.00 C ATOM 546 CG LYS A 92 -6.981 -4.870 -3.768 1.00 0.00 C ATOM 547 CD LYS A 92 -7.581 -3.502 -3.490 1.00 0.00 C ATOM 548 CE LYS A 92 -6.504 -2.436 -3.365 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.026 -2.293 -1.961 1.00 0.00 N ATOM 0 H LYS A 92 -4.691 -6.301 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.658 -4.048 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.436 -6.520 -2.522 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.780 -5.042 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.262 -4.794 -4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.765 -5.552 -4.097 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.268 -3.235 -4.293 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.165 -3.540 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.664 -2.691 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.896 -1.481 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.986 -2.293 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.378 -1.399 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.380 -3.088 -1.391 1.00 0.00 H new ATOM 563 N MET A 93 -3.854 -6.970 -1.205 1.00 0.00 N ATOM 564 CA MET A 93 -3.276 -7.624 -0.037 1.00 0.00 C ATOM 565 C MET A 93 -1.943 -6.984 0.340 1.00 0.00 C ATOM 566 O MET A 93 -1.214 -6.467 -0.507 1.00 0.00 O ATOM 567 CB MET A 93 -3.080 -9.117 -0.307 1.00 0.00 C ATOM 568 CG MET A 93 -1.763 -9.443 -0.992 1.00 0.00 C ATOM 569 SD MET A 93 -1.573 -11.204 -1.331 1.00 0.00 S ATOM 570 CE MET A 93 -1.409 -11.852 0.331 1.00 0.00 C ATOM 0 H MET A 93 -3.956 -7.575 -2.020 1.00 0.00 H new ATOM 0 HA MET A 93 -3.967 -7.501 0.797 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.133 -9.659 0.637 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.901 -9.477 -0.927 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.698 -8.888 -1.928 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.938 -9.107 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.023 -12.870 0.288 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.720 -11.226 0.899 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.384 -11.854 0.819 1.00 0.00 H new ATOM 580 N PRO A 94 -1.615 -7.019 1.640 1.00 0.00 N ATOM 581 CA PRO A 94 -0.369 -6.448 2.158 1.00 0.00 C ATOM 582 C PRO A 94 0.858 -7.245 1.727 1.00 0.00 C ATOM 583 O PRO A 94 0.754 -8.422 1.382 1.00 0.00 O ATOM 584 CB PRO A 94 -0.548 -6.522 3.676 1.00 0.00 C ATOM 585 CG PRO A 94 -1.511 -7.639 3.890 1.00 0.00 C ATOM 586 CD PRO A 94 -2.437 -7.620 2.704 1.00 0.00 C ATOM 0 HA PRO A 94 -0.198 -5.439 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.400 -6.715 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.934 -5.584 4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.991 -8.594 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.064 -7.505 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.769 -8.623 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.332 -7.030 2.902 1.00 0.00 H new ATOM 594 N GLU A 95 2.018 -6.596 1.750 1.00 0.00 N ATOM 595 CA GLU A 95 3.264 -7.247 1.361 1.00 0.00 C ATOM 596 C GLU A 95 3.852 -8.037 2.526 1.00 0.00 C ATOM 597 O GLU A 95 3.448 -7.863 3.676 1.00 0.00 O ATOM 598 CB GLU A 95 4.276 -6.208 0.873 1.00 0.00 C ATOM 599 CG GLU A 95 3.759 -5.342 -0.264 1.00 0.00 C ATOM 600 CD GLU A 95 3.110 -4.063 0.227 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.695 -3.400 1.108 1.00 0.00 O ATOM 602 OE2 GLU A 95 2.016 -3.724 -0.273 1.00 0.00 O ATOM 0 H GLU A 95 2.121 -5.622 2.033 1.00 0.00 H new ATOM 0 HA GLU A 95 3.044 -7.940 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.557 -5.567 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.181 -6.720 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.584 -5.093 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.036 -5.910 -0.849 1.00 0.00 H new ATOM 609 N CYS A 96 4.808 -8.908 2.220 1.00 0.00 N ATOM 610 CA CYS A 96 5.452 -9.727 3.239 1.00 0.00 C ATOM 611 C CYS A 96 5.966 -8.863 4.387 1.00 0.00 C ATOM 612 O CYS A 96 6.828 -8.005 4.194 1.00 0.00 O ATOM 613 CB CYS A 96 6.606 -10.524 2.629 1.00 0.00 C ATOM 614 SG CYS A 96 6.995 -12.068 3.514 1.00 0.00 S ATOM 0 H CYS A 96 5.154 -9.065 1.273 1.00 0.00 H new ATOM 0 HA CYS A 96 4.710 -10.421 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.361 -10.763 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.496 -9.896 2.609 1.00 0.00 H new ATOM 619 N TYR A 97 5.432 -9.095 5.580 1.00 0.00 N ATOM 620 CA TYR A 97 5.835 -8.337 6.759 1.00 0.00 C ATOM 621 C TYR A 97 7.344 -8.416 6.968 1.00 0.00 C ATOM 622 O TYR A 97 7.959 -7.487 7.492 1.00 0.00 O ATOM 623 CB TYR A 97 5.109 -8.859 8.000 1.00 0.00 C ATOM 624 CG TYR A 97 5.906 -8.708 9.276 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.463 -7.485 9.630 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.103 -9.788 10.127 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.192 -7.343 10.794 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.830 -9.655 11.294 1.00 0.00 C ATOM 629 CZ TYR A 97 7.373 -8.431 11.623 1.00 0.00 C ATOM 630 OH TYR A 97 8.099 -8.294 12.784 1.00 0.00 O ATOM 0 H TYR A 97 4.719 -9.802 5.757 1.00 0.00 H new ATOM 0 HA TYR A 97 5.563 -7.294 6.599 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.163 -8.328 8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.869 -9.912 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.323 -6.631 8.984 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.680 -10.749 9.872 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.618 -6.385 11.054 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.972 -10.505 11.945 1.00 0.00 H new ATOM 0 HH TYR A 97 8.131 -9.154 13.253 1.00 0.00 H new ATOM 640 N PHE A 98 7.934 -9.531 6.552 1.00 0.00 N ATOM 641 CA PHE A 98 9.371 -9.734 6.693 1.00 0.00 C ATOM 642 C PHE A 98 10.141 -8.899 5.674 1.00 0.00 C ATOM 643 O PHE A 98 10.883 -7.985 6.037 1.00 0.00 O ATOM 644 CB PHE A 98 9.719 -11.214 6.523 1.00 0.00 C ATOM 645 CG PHE A 98 9.163 -12.090 7.609 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.691 -12.048 8.889 1.00 0.00 C ATOM 647 CD2 PHE A 98 8.112 -12.955 7.350 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.181 -12.851 9.892 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.598 -13.761 8.349 1.00 0.00 C ATOM 650 CZ PHE A 98 8.134 -13.710 9.620 1.00 0.00 C ATOM 0 H PHE A 98 7.439 -10.308 6.114 1.00 0.00 H new ATOM 0 HA PHE A 98 9.661 -9.413 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.342 -11.559 5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.803 -11.323 6.499 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.511 -11.380 9.106 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.690 -13.000 6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.600 -12.807 10.886 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.778 -14.430 8.135 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.735 -14.341 10.401 1.00 0.00 H new ATOM 660 N TYR A 99 9.959 -9.219 4.398 1.00 0.00 N ATOM 661 CA TYR A 99 10.638 -8.501 3.326 1.00 0.00 C ATOM 662 C TYR A 99 10.234 -7.029 3.314 1.00 0.00 C ATOM 663 O TYR A 99 10.885 -6.200 2.679 1.00 0.00 O ATOM 664 CB TYR A 99 10.317 -9.139 1.973 1.00 0.00 C ATOM 665 CG TYR A 99 11.408 -8.954 0.942 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.444 -9.872 0.826 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.402 -7.860 0.085 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.443 -9.706 -0.114 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.396 -7.687 -0.858 1.00 0.00 C ATOM 670 CZ TYR A 99 13.414 -8.613 -0.954 1.00 0.00 C ATOM 671 OH TYR A 99 14.407 -8.443 -1.892 1.00 0.00 O ATOM 0 H TYR A 99 9.347 -9.971 4.081 1.00 0.00 H new ATOM 0 HA TYR A 99 11.711 -8.564 3.505 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.141 -10.205 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.390 -8.712 1.590 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.469 -10.730 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.607 -7.133 0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.242 -10.428 -0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.376 -6.831 -1.517 1.00 0.00 H new ATOM 0 HH TYR A 99 14.237 -7.624 -2.403 1.00 0.00 H new ATOM 681 N SER A 100 9.155 -6.713 4.023 1.00 0.00 N ATOM 682 CA SER A 100 8.661 -5.343 4.093 1.00 0.00 C ATOM 683 C SER A 100 9.270 -4.606 5.282 1.00 0.00 C ATOM 684 O SER A 100 9.436 -3.387 5.253 1.00 0.00 O ATOM 685 CB SER A 100 7.134 -5.334 4.200 1.00 0.00 C ATOM 686 OG SER A 100 6.636 -4.009 4.266 1.00 0.00 O ATOM 0 H SER A 100 8.606 -7.387 4.557 1.00 0.00 H new ATOM 0 HA SER A 100 8.957 -4.829 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.703 -5.846 3.339 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.825 -5.887 5.087 1.00 0.00 H new ATOM 0 HG SER A 100 5.658 -4.030 4.332 1.00 0.00 H new ATOM 692 N LYS A 101 9.601 -5.356 6.328 1.00 0.00 N ATOM 693 CA LYS A 101 10.193 -4.777 7.528 1.00 0.00 C ATOM 694 C LYS A 101 11.703 -4.992 7.548 1.00 0.00 C ATOM 695 O LYS A 101 12.477 -4.035 7.495 1.00 0.00 O ATOM 696 CB LYS A 101 9.563 -5.392 8.780 1.00 0.00 C ATOM 697 CG LYS A 101 9.573 -4.465 9.983 1.00 0.00 C ATOM 698 CD LYS A 101 10.896 -4.530 10.727 1.00 0.00 C ATOM 699 CE LYS A 101 10.740 -4.112 12.181 1.00 0.00 C ATOM 700 NZ LYS A 101 12.052 -3.799 12.812 1.00 0.00 N ATOM 0 H LYS A 101 9.469 -6.367 6.369 1.00 0.00 H new ATOM 0 HA LYS A 101 9.996 -3.705 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.534 -5.674 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.097 -6.308 9.033 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.388 -3.442 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.761 -4.735 10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.292 -5.545 10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.622 -3.882 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.091 -3.238 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.251 -4.911 12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.903 -3.518 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.663 -4.640 12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.508 -3.019 12.296 1.00 0.00 H new ATOM 714 N PHE A 102 12.116 -6.253 7.623 1.00 0.00 N ATOM 715 CA PHE A 102 13.533 -6.593 7.649 1.00 0.00 C ATOM 716 C PHE A 102 14.128 -6.556 6.244 1.00 0.00 C ATOM 717 O PHE A 102 15.297 -6.222 6.061 1.00 0.00 O ATOM 718 CB PHE A 102 13.736 -7.979 8.265 1.00 0.00 C ATOM 719 CG PHE A 102 13.160 -8.111 9.645 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.905 -7.755 10.758 1.00 0.00 C ATOM 721 CD2 PHE A 102 11.874 -8.592 9.830 1.00 0.00 C ATOM 722 CE1 PHE A 102 13.377 -7.876 12.030 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.341 -8.714 11.100 1.00 0.00 C ATOM 724 CZ PHE A 102 12.094 -8.357 12.201 1.00 0.00 C ATOM 0 H PHE A 102 11.489 -7.056 7.667 1.00 0.00 H new ATOM 0 HA PHE A 102 14.047 -5.852 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.280 -8.727 7.616 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.803 -8.198 8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.909 -7.379 10.630 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.281 -8.875 8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.968 -7.595 12.889 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.336 -9.088 11.231 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.680 -8.454 13.194 1.00 0.00 H new ATOM 734 N GLY A 103 13.311 -6.903 5.253 1.00 0.00 N ATOM 735 CA GLY A 103 13.773 -6.904 3.877 1.00 0.00 C ATOM 736 C GLY A 103 14.583 -8.140 3.539 1.00 0.00 C ATOM 737 O GLY A 103 15.484 -8.088 2.703 1.00 0.00 O ATOM 0 H GLY A 103 12.338 -7.183 5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.914 -6.842 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.380 -6.016 3.700 1.00 0.00 H new ATOM 741 N GLU A 104 14.263 -9.253 4.192 1.00 0.00 N ATOM 742 CA GLU A 104 14.970 -10.506 3.956 1.00 0.00 C ATOM 743 C GLU A 104 14.024 -11.697 4.082 1.00 0.00 C ATOM 744 O GLU A 104 13.541 -12.007 5.171 1.00 0.00 O ATOM 745 CB GLU A 104 16.131 -10.656 4.943 1.00 0.00 C ATOM 746 CG GLU A 104 16.987 -9.407 5.069 1.00 0.00 C ATOM 747 CD GLU A 104 18.000 -9.278 3.949 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.956 -10.082 3.920 1.00 0.00 O ATOM 749 OE2 GLU A 104 17.839 -8.375 3.103 1.00 0.00 O ATOM 0 H GLU A 104 13.520 -9.312 4.888 1.00 0.00 H new ATOM 0 HA GLU A 104 15.366 -10.484 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.732 -10.913 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.761 -11.488 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.342 -8.528 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.509 -9.424 6.026 1.00 0.00 H new ATOM 756 N CYS A 105 13.765 -12.360 2.961 1.00 0.00 N ATOM 757 CA CYS A 105 12.877 -13.516 2.943 1.00 0.00 C ATOM 758 C CYS A 105 13.424 -14.608 2.029 1.00 0.00 C ATOM 759 O CYS A 105 13.551 -14.414 0.820 1.00 0.00 O ATOM 760 CB CYS A 105 11.477 -13.103 2.482 1.00 0.00 C ATOM 761 SG CYS A 105 10.149 -14.210 3.056 1.00 0.00 S ATOM 0 H CYS A 105 14.158 -12.116 2.052 1.00 0.00 H new ATOM 0 HA CYS A 105 12.816 -13.912 3.957 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.272 -12.093 2.837 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.460 -13.067 1.393 1.00 0.00 H new ATOM 766 N SER A 106 13.745 -15.757 2.615 1.00 0.00 N ATOM 767 CA SER A 106 14.281 -16.880 1.855 1.00 0.00 C ATOM 768 C SER A 106 13.164 -17.819 1.412 1.00 0.00 C ATOM 769 O SER A 106 13.287 -19.039 1.513 1.00 0.00 O ATOM 770 CB SER A 106 15.306 -17.647 2.692 1.00 0.00 C ATOM 771 OG SER A 106 16.286 -18.254 1.868 1.00 0.00 O ATOM 0 H SER A 106 13.643 -15.935 3.614 1.00 0.00 H new ATOM 0 HA SER A 106 14.772 -16.484 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.788 -16.967 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.800 -18.410 3.283 1.00 0.00 H new ATOM 0 HG SER A 106 16.930 -18.737 2.427 1.00 0.00 H new ATOM 777 N ASN A 107 12.073 -17.241 0.921 1.00 0.00 N ATOM 778 CA ASN A 107 10.932 -18.026 0.462 1.00 0.00 C ATOM 779 C ASN A 107 10.830 -17.999 -1.060 1.00 0.00 C ATOM 780 O ASN A 107 10.829 -16.932 -1.675 1.00 0.00 O ATOM 781 CB ASN A 107 9.638 -17.492 1.081 1.00 0.00 C ATOM 782 CG ASN A 107 9.485 -17.893 2.535 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.003 -18.924 2.965 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.769 -17.078 3.301 1.00 0.00 N ATOM 0 H ASN A 107 11.954 -16.232 0.831 1.00 0.00 H new ATOM 0 HA ASN A 107 11.081 -19.058 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.623 -16.405 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.786 -17.864 0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.630 -17.296 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.358 -16.234 2.903 1.00 0.00 H new ATOM 791 N LYS A 108 10.743 -19.180 -1.662 1.00 0.00 N ATOM 792 CA LYS A 108 10.639 -19.295 -3.112 1.00 0.00 C ATOM 793 C LYS A 108 9.199 -19.087 -3.571 1.00 0.00 C ATOM 794 O LYS A 108 8.943 -18.356 -4.528 1.00 0.00 O ATOM 795 CB LYS A 108 11.140 -20.665 -3.574 1.00 0.00 C ATOM 796 CG LYS A 108 10.909 -20.931 -5.051 1.00 0.00 C ATOM 797 CD LYS A 108 10.771 -22.417 -5.335 1.00 0.00 C ATOM 798 CE LYS A 108 12.112 -23.129 -5.246 1.00 0.00 C ATOM 799 NZ LYS A 108 11.970 -24.602 -5.410 1.00 0.00 N ATOM 0 H LYS A 108 10.742 -20.072 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 108 11.261 -18.519 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.206 -20.743 -3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.642 -21.440 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.008 -20.412 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.739 -20.525 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.074 -22.861 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.347 -22.561 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 108 12.781 -22.741 -6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.574 -22.914 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.906 -25.051 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.352 -24.977 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 11.553 -24.809 -6.340 1.00 0.00 H new ATOM 813 N GLU A 109 8.264 -19.734 -2.883 1.00 0.00 N ATOM 814 CA GLU A 109 6.850 -19.618 -3.221 1.00 0.00 C ATOM 815 C GLU A 109 6.098 -18.828 -2.154 1.00 0.00 C ATOM 816 O GLU A 109 5.037 -19.245 -1.690 1.00 0.00 O ATOM 817 CB GLU A 109 6.226 -21.006 -3.379 1.00 0.00 C ATOM 818 CG GLU A 109 6.918 -21.871 -4.419 1.00 0.00 C ATOM 819 CD GLU A 109 6.198 -23.183 -4.659 1.00 0.00 C ATOM 820 OE1 GLU A 109 5.221 -23.190 -5.438 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.611 -24.204 -4.070 1.00 0.00 O ATOM 0 H GLU A 109 8.460 -20.343 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 109 6.771 -19.082 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.252 -21.518 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.177 -20.894 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.985 -21.321 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.939 -22.075 -4.096 1.00 0.00 H new ATOM 828 N CYS A 110 6.656 -17.685 -1.770 1.00 0.00 N ATOM 829 CA CYS A 110 6.040 -16.835 -0.758 1.00 0.00 C ATOM 830 C CYS A 110 4.775 -16.175 -1.298 1.00 0.00 C ATOM 831 O CYS A 110 4.806 -15.414 -2.265 1.00 0.00 O ATOM 832 CB CYS A 110 7.028 -15.765 -0.291 1.00 0.00 C ATOM 833 SG CYS A 110 6.634 -15.048 1.337 1.00 0.00 S ATOM 0 H CYS A 110 7.534 -17.326 -2.145 1.00 0.00 H new ATOM 0 HA CYS A 110 5.767 -17.462 0.090 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.027 -16.200 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 110 7.057 -14.965 -1.031 1.00 0.00 H new ATOM 838 N PRO A 111 3.634 -16.471 -0.658 1.00 0.00 N ATOM 839 CA PRO A 111 2.336 -15.916 -1.056 1.00 0.00 C ATOM 840 C PRO A 111 2.229 -14.424 -0.761 1.00 0.00 C ATOM 841 O PRO A 111 1.181 -13.813 -0.973 1.00 0.00 O ATOM 842 CB PRO A 111 1.338 -16.703 -0.203 1.00 0.00 C ATOM 843 CG PRO A 111 2.118 -17.139 0.989 1.00 0.00 C ATOM 844 CD PRO A 111 3.522 -17.370 0.503 1.00 0.00 C ATOM 0 HA PRO A 111 2.165 -16.006 -2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.489 -16.083 0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.939 -17.558 -0.749 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.095 -16.379 1.770 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.699 -18.049 1.418 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.258 -17.129 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.684 -18.411 0.222 1.00 0.00 H new ATOM 852 N PHE A 112 3.319 -13.843 -0.271 1.00 0.00 N ATOM 853 CA PHE A 112 3.347 -12.421 0.054 1.00 0.00 C ATOM 854 C PHE A 112 4.182 -11.648 -0.962 1.00 0.00 C ATOM 855 O PHE A 112 5.065 -12.208 -1.612 1.00 0.00 O ATOM 856 CB PHE A 112 3.909 -12.209 1.461 1.00 0.00 C ATOM 857 CG PHE A 112 2.887 -12.388 2.548 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.848 -11.483 2.695 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.967 -13.460 3.422 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.906 -11.645 3.694 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.028 -13.627 4.422 1.00 0.00 C ATOM 862 CZ PHE A 112 0.997 -12.718 4.559 1.00 0.00 C ATOM 0 H PHE A 112 4.194 -14.334 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 112 2.325 -12.045 0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.729 -12.908 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.328 -11.205 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.773 -10.642 2.022 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.772 -14.173 3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.100 -10.934 3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.100 -14.468 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.263 -12.846 5.341 1.00 0.00 H new ATOM 872 N LEU A 113 3.897 -10.357 -1.093 1.00 0.00 N ATOM 873 CA LEU A 113 4.621 -9.505 -2.030 1.00 0.00 C ATOM 874 C LEU A 113 6.025 -9.201 -1.516 1.00 0.00 C ATOM 875 O LEU A 113 6.219 -8.932 -0.330 1.00 0.00 O ATOM 876 CB LEU A 113 3.856 -8.200 -2.258 1.00 0.00 C ATOM 877 CG LEU A 113 2.465 -8.337 -2.877 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.465 -8.826 -1.841 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.013 -7.012 -3.473 1.00 0.00 C ATOM 0 H LEU A 113 3.170 -9.877 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 113 4.708 -10.039 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.757 -7.688 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.457 -7.558 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 113 2.517 -9.074 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.481 -8.917 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.780 -9.798 -1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.416 -8.114 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.021 -7.129 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.979 -6.254 -2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.715 -6.703 -4.247 1.00 0.00 H new ATOM 891 N HIS A 114 7.001 -9.245 -2.417 1.00 0.00 N ATOM 892 CA HIS A 114 8.388 -8.972 -2.056 1.00 0.00 C ATOM 893 C HIS A 114 8.875 -7.682 -2.709 1.00 0.00 C ATOM 894 O HIS A 114 9.246 -7.671 -3.883 1.00 0.00 O ATOM 895 CB HIS A 114 9.285 -10.138 -2.472 1.00 0.00 C ATOM 896 CG HIS A 114 9.449 -11.177 -1.406 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.094 -12.377 -1.618 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.048 -11.190 -0.113 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.082 -13.084 -0.501 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.454 -12.386 0.427 1.00 0.00 N ATOM 0 H HIS A 114 6.857 -9.467 -3.402 1.00 0.00 H new ATOM 0 HA HIS A 114 8.439 -8.853 -0.974 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.868 -10.606 -3.363 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.267 -9.751 -2.745 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.515 -12.673 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.509 -10.406 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.513 -14.066 -0.370 1.00 0.00 H new ATOM 908 N ILE A 115 8.872 -6.597 -1.941 1.00 0.00 N ATOM 909 CA ILE A 115 9.314 -5.303 -2.445 1.00 0.00 C ATOM 910 C ILE A 115 10.643 -4.895 -1.820 1.00 0.00 C ATOM 911 O ILE A 115 10.864 -5.088 -0.624 1.00 0.00 O ATOM 912 CB ILE A 115 8.270 -4.205 -2.169 1.00 0.00 C ATOM 913 CG1 ILE A 115 6.906 -4.614 -2.729 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.721 -2.882 -2.771 1.00 0.00 C ATOM 915 CD1 ILE A 115 5.809 -3.615 -2.437 1.00 0.00 C ATOM 0 H ILE A 115 8.568 -6.589 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 115 9.440 -5.410 -3.522 1.00 0.00 H new ATOM 0 HB ILE A 115 8.175 -4.078 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 115 6.990 -4.745 -3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.626 -5.581 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 115 7.973 -2.116 -2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.672 -2.587 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.841 -2.995 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.871 -3.970 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.698 -3.502 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.067 -2.652 -2.878 1.00 0.00 H new ATOM 927 N ASP A 116 11.524 -4.327 -2.636 1.00 0.00 N ATOM 928 CA ASP A 116 12.832 -3.888 -2.163 1.00 0.00 C ATOM 929 C ASP A 116 12.691 -2.750 -1.156 1.00 0.00 C ATOM 930 O ASP A 116 11.852 -1.861 -1.301 1.00 0.00 O ATOM 931 CB ASP A 116 13.700 -3.440 -3.340 1.00 0.00 C ATOM 932 CG ASP A 116 15.179 -3.648 -3.080 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.673 -4.769 -3.325 1.00 0.00 O ATOM 934 OD2 ASP A 116 15.843 -2.690 -2.633 1.00 0.00 O ATOM 0 H ASP A 116 11.356 -4.160 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 116 13.314 -4.731 -1.667 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.410 -3.993 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.515 -2.385 -3.544 1.00 0.00 H new ATOM 939 N PRO A 117 13.532 -2.776 -0.111 1.00 0.00 N ATOM 940 CA PRO A 117 13.520 -1.755 0.940 1.00 0.00 C ATOM 941 C PRO A 117 14.026 -0.405 0.442 1.00 0.00 C ATOM 942 O PRO A 117 14.107 0.557 1.205 1.00 0.00 O ATOM 943 CB PRO A 117 14.468 -2.324 1.999 1.00 0.00 C ATOM 944 CG PRO A 117 15.380 -3.228 1.243 1.00 0.00 C ATOM 945 CD PRO A 117 14.558 -3.806 0.125 1.00 0.00 C ATOM 0 HA PRO A 117 12.513 -1.562 1.310 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.023 -1.531 2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.921 -2.867 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.238 -2.680 0.853 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.771 -4.016 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.160 -3.985 -0.766 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.112 -4.760 0.406 1.00 0.00 H new ATOM 953 N GLU A 118 14.366 -0.342 -0.842 1.00 0.00 N ATOM 954 CA GLU A 118 14.864 0.890 -1.440 1.00 0.00 C ATOM 955 C GLU A 118 13.769 1.588 -2.241 1.00 0.00 C ATOM 956 O GLU A 118 13.766 2.812 -2.374 1.00 0.00 O ATOM 957 CB GLU A 118 16.064 0.596 -2.342 1.00 0.00 C ATOM 958 CG GLU A 118 17.230 -0.051 -1.614 1.00 0.00 C ATOM 959 CD GLU A 118 18.562 0.224 -2.285 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.077 1.353 -2.140 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.089 -0.688 -2.954 1.00 0.00 O ATOM 0 H GLU A 118 14.305 -1.130 -1.487 1.00 0.00 H new ATOM 0 HA GLU A 118 15.179 1.554 -0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 118 15.746 -0.058 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 118 16.402 1.527 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.262 0.316 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.069 -1.128 -1.562 1.00 0.00 H new ATOM 968 N SER A 119 12.842 0.800 -2.775 1.00 0.00 N ATOM 969 CA SER A 119 11.743 1.340 -3.568 1.00 0.00 C ATOM 970 C SER A 119 10.665 1.936 -2.668 1.00 0.00 C ATOM 971 O SER A 119 9.802 2.685 -3.125 1.00 0.00 O ATOM 972 CB SER A 119 11.139 0.248 -4.452 1.00 0.00 C ATOM 973 OG SER A 119 11.996 -0.061 -5.538 1.00 0.00 O ATOM 0 H SER A 119 12.830 -0.215 -2.673 1.00 0.00 H new ATOM 0 HA SER A 119 12.141 2.132 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.962 -0.649 -3.858 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.171 0.576 -4.830 1.00 0.00 H new ATOM 0 HG SER A 119 11.588 -0.763 -6.087 1.00 0.00 H new ATOM 979 N LYS A 120 10.722 1.597 -1.384 1.00 0.00 N ATOM 980 CA LYS A 120 9.752 2.098 -0.417 1.00 0.00 C ATOM 981 C LYS A 120 10.352 3.221 0.423 1.00 0.00 C ATOM 982 O LYS A 120 10.337 3.165 1.653 1.00 0.00 O ATOM 983 CB LYS A 120 9.278 0.964 0.494 1.00 0.00 C ATOM 984 CG LYS A 120 8.718 -0.229 -0.261 1.00 0.00 C ATOM 985 CD LYS A 120 8.536 -1.431 0.651 1.00 0.00 C ATOM 986 CE LYS A 120 7.412 -1.207 1.651 1.00 0.00 C ATOM 987 NZ LYS A 120 6.089 -1.608 1.097 1.00 0.00 N ATOM 0 H LYS A 120 11.430 0.977 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 120 8.899 2.495 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.112 0.633 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.513 1.347 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.760 0.039 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.389 -0.490 -1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.320 -2.315 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.466 -1.628 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 120 7.614 -1.777 2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.383 -0.155 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.432 -0.803 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.202 -1.899 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 5.708 -2.402 1.650 1.00 0.00 H new ATOM 1001 N ILE A 121 10.878 4.240 -0.249 1.00 0.00 N ATOM 1002 CA ILE A 121 11.480 5.377 0.437 1.00 0.00 C ATOM 1003 C ILE A 121 11.150 6.685 -0.274 1.00 0.00 C ATOM 1004 O ILE A 121 11.135 6.750 -1.504 1.00 0.00 O ATOM 1005 CB ILE A 121 13.010 5.230 0.533 1.00 0.00 C ATOM 1006 CG1 ILE A 121 13.375 3.930 1.251 1.00 0.00 C ATOM 1007 CG2 ILE A 121 13.612 6.427 1.255 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.823 3.529 1.076 1.00 0.00 C ATOM 0 H ILE A 121 10.899 4.301 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 121 11.061 5.397 1.443 1.00 0.00 H new ATOM 0 HB ILE A 121 13.421 5.194 -0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.163 4.040 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.737 3.128 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 121 14.694 6.309 1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.376 7.339 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 121 13.197 6.491 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 121 15.010 2.599 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.036 3.387 0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.468 4.313 1.473 1.00 0.00 H new ATOM 1020 N LYS A 122 10.887 7.727 0.507 1.00 0.00 N ATOM 1021 CA LYS A 122 10.560 9.036 -0.046 1.00 0.00 C ATOM 1022 C LYS A 122 11.583 10.081 0.387 1.00 0.00 C ATOM 1023 O LYS A 122 11.615 11.190 -0.146 1.00 0.00 O ATOM 1024 CB LYS A 122 9.159 9.464 0.398 1.00 0.00 C ATOM 1025 CG LYS A 122 8.992 9.528 1.906 1.00 0.00 C ATOM 1026 CD LYS A 122 8.491 8.208 2.468 1.00 0.00 C ATOM 1027 CE LYS A 122 9.093 7.920 3.835 1.00 0.00 C ATOM 1028 NZ LYS A 122 8.149 7.171 4.710 1.00 0.00 N ATOM 0 H LYS A 122 10.894 7.690 1.526 1.00 0.00 H new ATOM 0 HA LYS A 122 10.583 8.959 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 122 8.936 10.443 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 122 8.428 8.766 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 122 9.946 9.783 2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 122 8.291 10.323 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.404 8.234 2.546 1.00 0.00 H new ATOM 0 HD3 LYS A 122 8.742 7.400 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.010 7.344 3.714 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.367 8.859 4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.596 6.994 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.284 7.731 4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.907 6.264 4.263 1.00 0.00 H new ATOM 1042 N ASP A 123 12.418 9.718 1.355 1.00 0.00 N ATOM 1043 CA ASP A 123 13.445 10.624 1.857 1.00 0.00 C ATOM 1044 C ASP A 123 14.817 10.250 1.305 1.00 0.00 C ATOM 1045 O ASP A 123 15.804 10.215 2.040 1.00 0.00 O ATOM 1046 CB ASP A 123 13.473 10.599 3.386 1.00 0.00 C ATOM 1047 CG ASP A 123 12.526 11.612 3.999 1.00 0.00 C ATOM 1048 OD1 ASP A 123 11.555 12.003 3.318 1.00 0.00 O ATOM 1049 OD2 ASP A 123 12.756 12.014 5.159 1.00 0.00 O ATOM 0 H ASP A 123 12.404 8.804 1.807 1.00 0.00 H new ATOM 0 HA ASP A 123 13.201 11.632 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 123 13.208 9.601 3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.487 10.799 3.731 1.00 0.00 H new ATOM 1054 N CYS A 124 14.870 9.971 0.007 1.00 0.00 N ATOM 1055 CA CYS A 124 16.121 9.598 -0.644 1.00 0.00 C ATOM 1056 C CYS A 124 16.683 10.763 -1.452 1.00 0.00 C ATOM 1057 O CYS A 124 15.948 11.618 -1.947 1.00 0.00 O ATOM 1058 CB CYS A 124 15.905 8.387 -1.554 1.00 0.00 C ATOM 1059 SG CYS A 124 15.056 8.771 -3.103 1.00 0.00 S ATOM 0 H CYS A 124 14.062 9.996 -0.615 1.00 0.00 H new ATOM 0 HA CYS A 124 16.841 9.337 0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 124 16.873 7.941 -1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 124 15.329 7.637 -1.012 1.00 0.00 H new ATOM 0 HG CYS A 124 15.667 8.186 -4.090 1.00 0.00 H new ATOM 1065 N PRO A 125 18.016 10.800 -1.589 1.00 0.00 N ATOM 1066 CA PRO A 125 18.706 11.856 -2.335 1.00 0.00 C ATOM 1067 C PRO A 125 18.457 11.763 -3.837 1.00 0.00 C ATOM 1068 O PRO A 125 18.511 12.766 -4.548 1.00 0.00 O ATOM 1069 CB PRO A 125 20.184 11.605 -2.022 1.00 0.00 C ATOM 1070 CG PRO A 125 20.259 10.155 -1.690 1.00 0.00 C ATOM 1071 CD PRO A 125 18.954 9.813 -1.026 1.00 0.00 C ATOM 0 HA PRO A 125 18.358 12.849 -2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 125 20.817 11.849 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 125 20.522 12.220 -1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 125 20.408 9.556 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 125 21.100 9.950 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 125 18.645 8.792 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 125 19.021 9.896 0.059 1.00 0.00 H new ATOM 1079 N TRP A 126 18.183 10.554 -4.312 1.00 0.00 N ATOM 1080 CA TRP A 126 17.924 10.330 -5.730 1.00 0.00 C ATOM 1081 C TRP A 126 16.890 11.319 -6.257 1.00 0.00 C ATOM 1082 O TRP A 126 16.023 11.779 -5.514 1.00 0.00 O ATOM 1083 CB TRP A 126 17.443 8.897 -5.962 1.00 0.00 C ATOM 1084 CG TRP A 126 18.041 7.908 -5.008 1.00 0.00 C ATOM 1085 CD1 TRP A 126 17.388 6.899 -4.357 1.00 0.00 C ATOM 1086 CD2 TRP A 126 19.410 7.835 -4.595 1.00 0.00 C ATOM 1087 NE1 TRP A 126 18.269 6.203 -3.565 1.00 0.00 N ATOM 1088 CE2 TRP A 126 19.516 6.757 -3.694 1.00 0.00 C ATOM 1089 CE3 TRP A 126 20.556 8.573 -4.900 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 20.723 6.403 -3.097 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 21.753 8.220 -4.306 1.00 0.00 C ATOM 1092 CH2 TRP A 126 21.829 7.143 -3.414 1.00 0.00 C ATOM 0 H TRP A 126 18.134 9.713 -3.736 1.00 0.00 H new ATOM 0 HA TRP A 126 18.856 10.484 -6.273 1.00 0.00 H new ATOM 0 HB2 TRP A 126 16.357 8.867 -5.872 1.00 0.00 H new ATOM 0 HB3 TRP A 126 17.687 8.600 -6.982 1.00 0.00 H new ATOM 0 HD1 TRP A 126 16.334 6.681 -4.451 1.00 0.00 H new ATOM 0 HE1 TRP A 126 18.033 5.404 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 126 20.508 9.404 -5.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 20.784 5.574 -2.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 22.645 8.784 -4.534 1.00 0.00 H new ATOM 0 HH2 TRP A 126 22.780 6.892 -2.968 1.00 0.00 H new ATOM 1103 N SER A 127 16.987 11.641 -7.543 1.00 0.00 N ATOM 1104 CA SER A 127 16.061 12.578 -8.168 1.00 0.00 C ATOM 1105 C SER A 127 16.310 12.668 -9.670 1.00 0.00 C ATOM 1106 O SER A 127 17.418 12.973 -10.110 1.00 0.00 O ATOM 1107 CB SER A 127 16.198 13.963 -7.533 1.00 0.00 C ATOM 1108 OG SER A 127 15.415 14.921 -8.224 1.00 0.00 O ATOM 0 H SER A 127 17.697 11.267 -8.172 1.00 0.00 H new ATOM 0 HA SER A 127 15.047 12.211 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 127 15.888 13.920 -6.489 1.00 0.00 H new ATOM 0 HB3 SER A 127 17.244 14.269 -7.542 1.00 0.00 H new ATOM 0 HG SER A 127 15.519 15.797 -7.798 1.00 0.00 H new ATOM 1114 N GLY A 128 15.270 12.400 -10.454 1.00 0.00 N ATOM 1115 CA GLY A 128 15.396 12.455 -11.899 1.00 0.00 C ATOM 1116 C GLY A 128 16.117 11.248 -12.465 1.00 0.00 C ATOM 1117 O GLY A 128 15.880 10.110 -12.058 1.00 0.00 O ATOM 0 H GLY A 128 14.342 12.146 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.404 12.523 -12.345 1.00 0.00 H new ATOM 0 HA3 GLY A 128 15.934 13.360 -12.179 1.00 0.00 H new ATOM 1121 N PRO A 129 17.019 11.490 -13.427 1.00 0.00 N ATOM 1122 CA PRO A 129 17.794 10.425 -14.071 1.00 0.00 C ATOM 1123 C PRO A 129 18.820 9.804 -13.130 1.00 0.00 C ATOM 1124 O PRO A 129 19.205 8.647 -13.293 1.00 0.00 O ATOM 1125 CB PRO A 129 18.495 11.146 -15.226 1.00 0.00 C ATOM 1126 CG PRO A 129 18.581 12.567 -14.789 1.00 0.00 C ATOM 1127 CD PRO A 129 17.352 12.821 -13.960 1.00 0.00 C ATOM 0 HA PRO A 129 17.162 9.596 -14.388 1.00 0.00 H new ATOM 0 HB2 PRO A 129 19.485 10.728 -15.411 1.00 0.00 H new ATOM 0 HB3 PRO A 129 17.930 11.051 -16.153 1.00 0.00 H new ATOM 0 HG2 PRO A 129 19.487 12.742 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 129 18.618 13.238 -15.647 1.00 0.00 H new ATOM 0 HD2 PRO A 129 17.547 13.536 -13.161 1.00 0.00 H new ATOM 0 HD3 PRO A 129 16.539 13.228 -14.561 1.00 0.00 H new ATOM 1135 N SER A 130 19.259 10.581 -12.145 1.00 0.00 N ATOM 1136 CA SER A 130 20.244 10.108 -11.179 1.00 0.00 C ATOM 1137 C SER A 130 19.826 8.763 -10.592 1.00 0.00 C ATOM 1138 O SER A 130 20.611 7.816 -10.563 1.00 0.00 O ATOM 1139 CB SER A 130 20.422 11.133 -10.057 1.00 0.00 C ATOM 1140 OG SER A 130 21.580 10.853 -9.290 1.00 0.00 O ATOM 0 H SER A 130 18.948 11.541 -11.995 1.00 0.00 H new ATOM 0 HA SER A 130 21.194 9.979 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 130 20.497 12.134 -10.483 1.00 0.00 H new ATOM 0 HB3 SER A 130 19.544 11.126 -9.411 1.00 0.00 H new ATOM 0 HG SER A 130 21.672 11.523 -8.581 1.00 0.00 H new ATOM 1146 N SER A 131 18.584 8.688 -10.125 1.00 0.00 N ATOM 1147 CA SER A 131 18.062 7.461 -9.536 1.00 0.00 C ATOM 1148 C SER A 131 18.429 6.250 -10.387 1.00 0.00 C ATOM 1149 O SER A 131 18.974 5.267 -9.886 1.00 0.00 O ATOM 1150 CB SER A 131 16.542 7.550 -9.384 1.00 0.00 C ATOM 1151 OG SER A 131 15.907 7.630 -10.648 1.00 0.00 O ATOM 0 H SER A 131 17.921 9.463 -10.143 1.00 0.00 H new ATOM 0 HA SER A 131 18.513 7.340 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 131 16.176 6.677 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 131 16.284 8.425 -8.788 1.00 0.00 H new ATOM 0 HG SER A 131 15.984 8.543 -10.996 1.00 0.00 H new ATOM 1157 N GLY A 132 18.126 6.329 -11.679 1.00 0.00 N ATOM 1158 CA GLY A 132 18.431 5.233 -12.581 1.00 0.00 C ATOM 1159 C GLY A 132 17.250 4.852 -13.451 1.00 0.00 C ATOM 1160 O GLY A 132 16.718 3.754 -13.292 1.00 0.00 O ATOM 0 H GLY A 132 17.675 7.132 -12.117 1.00 0.00 H new ATOM 0 HA2 GLY A 132 19.271 5.513 -13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.745 4.366 -12.001 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.921 -10.321 7.595 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.181 -13.460 2.057 1.00 0.00 ZN