USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 366 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 6 SER OG : rot 180:sc= 0.0102 USER MOD Set 1.2: A 8 SER OG : rot -102:sc= 0.0102 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 16:sc= 0.796 USER MOD Single : A 11 SER OG : rot 30:sc= 0.41! USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 24:sc= 0.121 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0276 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 69:sc= 1.17 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 30:sc= 0.00131 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.86! C(o=-2.9!,f=-4.8!) USER MOD Single : A 42 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 46 ASN : amide:sc= 0.917 K(o=0.92,f=-4.6!) USER MOD Single : A 47 LYS NZ :NH3+ -179:sc= -0.928 (180deg=-0.932) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -142:sc= -0.0753 (180deg=-0.538) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.521 -13.846 13.073 1.00 0.00 N ATOM 2 CA GLY A 1 10.204 -14.946 12.419 1.00 0.00 C ATOM 3 C GLY A 1 11.678 -14.666 12.202 1.00 0.00 C ATOM 4 O GLY A 1 12.043 -13.667 11.583 1.00 0.00 O ATOM 0 H1 GLY A 1 8.517 -14.086 13.199 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.954 -13.672 14.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.602 -12.990 12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.093 -15.848 13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.730 -15.144 11.458 1.00 0.00 H new ATOM 8 N SER A 2 12.528 -15.550 12.715 1.00 0.00 N ATOM 9 CA SER A 2 13.971 -15.391 12.580 1.00 0.00 C ATOM 10 C SER A 2 14.488 -16.140 11.355 1.00 0.00 C ATOM 11 O SER A 2 15.221 -15.584 10.537 1.00 0.00 O ATOM 12 CB SER A 2 14.682 -15.894 13.838 1.00 0.00 C ATOM 13 OG SER A 2 16.073 -15.633 13.777 1.00 0.00 O ATOM 0 H SER A 2 12.242 -16.384 13.228 1.00 0.00 H new ATOM 0 HA SER A 2 14.184 -14.330 12.452 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.257 -15.411 14.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.515 -16.965 13.950 1.00 0.00 H new ATOM 0 HG SER A 2 16.504 -15.963 14.593 1.00 0.00 H new ATOM 19 N SER A 3 14.101 -17.406 11.238 1.00 0.00 N ATOM 20 CA SER A 3 14.528 -18.235 10.116 1.00 0.00 C ATOM 21 C SER A 3 13.523 -19.352 9.853 1.00 0.00 C ATOM 22 O SER A 3 12.592 -19.561 10.630 1.00 0.00 O ATOM 23 CB SER A 3 15.910 -18.831 10.391 1.00 0.00 C ATOM 24 OG SER A 3 15.837 -19.860 11.362 1.00 0.00 O ATOM 0 H SER A 3 13.493 -17.880 11.906 1.00 0.00 H new ATOM 0 HA SER A 3 14.583 -17.603 9.230 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.329 -19.228 9.466 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.585 -18.048 10.736 1.00 0.00 H new ATOM 0 HG SER A 3 16.733 -20.226 11.519 1.00 0.00 H new ATOM 30 N GLY A 4 13.719 -20.068 8.750 1.00 0.00 N ATOM 31 CA GLY A 4 12.822 -21.155 8.402 1.00 0.00 C ATOM 32 C GLY A 4 13.046 -21.662 6.991 1.00 0.00 C ATOM 33 O GLY A 4 12.118 -21.697 6.182 1.00 0.00 O ATOM 0 H GLY A 4 14.483 -19.915 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.960 -21.976 9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.791 -20.818 8.504 1.00 0.00 H new ATOM 37 N SER A 5 14.280 -22.056 6.694 1.00 0.00 N ATOM 38 CA SER A 5 14.624 -22.558 5.369 1.00 0.00 C ATOM 39 C SER A 5 15.218 -23.961 5.457 1.00 0.00 C ATOM 40 O SER A 5 15.983 -24.267 6.372 1.00 0.00 O ATOM 41 CB SER A 5 15.615 -21.615 4.684 1.00 0.00 C ATOM 42 OG SER A 5 15.101 -20.296 4.618 1.00 0.00 O ATOM 0 H SER A 5 15.058 -22.037 7.353 1.00 0.00 H new ATOM 0 HA SER A 5 13.710 -22.605 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.558 -21.614 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.830 -21.976 3.678 1.00 0.00 H new ATOM 0 HG SER A 5 15.753 -19.712 4.178 1.00 0.00 H new ATOM 48 N SER A 6 14.860 -24.810 4.499 1.00 0.00 N ATOM 49 CA SER A 6 15.354 -26.182 4.469 1.00 0.00 C ATOM 50 C SER A 6 16.848 -26.215 4.163 1.00 0.00 C ATOM 51 O SER A 6 17.454 -25.188 3.859 1.00 0.00 O ATOM 52 CB SER A 6 14.590 -26.999 3.426 1.00 0.00 C ATOM 53 OG SER A 6 14.987 -26.646 2.112 1.00 0.00 O ATOM 0 H SER A 6 14.230 -24.572 3.733 1.00 0.00 H new ATOM 0 HA SER A 6 15.193 -26.621 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.768 -28.062 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.519 -26.833 3.543 1.00 0.00 H new ATOM 0 HG SER A 6 14.486 -27.183 1.463 1.00 0.00 H new ATOM 59 N GLY A 7 17.437 -27.404 4.247 1.00 0.00 N ATOM 60 CA GLY A 7 18.855 -27.550 3.977 1.00 0.00 C ATOM 61 C GLY A 7 19.193 -27.329 2.515 1.00 0.00 C ATOM 62 O GLY A 7 19.423 -28.284 1.773 1.00 0.00 O ATOM 0 H GLY A 7 16.957 -28.269 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.413 -26.840 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.177 -28.548 4.274 1.00 0.00 H new ATOM 66 N SER A 8 19.220 -26.067 2.101 1.00 0.00 N ATOM 67 CA SER A 8 19.527 -25.723 0.717 1.00 0.00 C ATOM 68 C SER A 8 20.216 -24.365 0.634 1.00 0.00 C ATOM 69 O SER A 8 20.149 -23.565 1.567 1.00 0.00 O ATOM 70 CB SER A 8 18.248 -25.711 -0.123 1.00 0.00 C ATOM 71 OG SER A 8 17.264 -24.873 0.459 1.00 0.00 O ATOM 0 H SER A 8 19.033 -25.265 2.703 1.00 0.00 H new ATOM 0 HA SER A 8 20.206 -26.479 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.475 -25.365 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.859 -26.725 -0.214 1.00 0.00 H new ATOM 0 HG SER A 8 16.599 -25.423 0.923 1.00 0.00 H new ATOM 77 N SER A 9 20.879 -24.112 -0.490 1.00 0.00 N ATOM 78 CA SER A 9 21.584 -22.853 -0.695 1.00 0.00 C ATOM 79 C SER A 9 20.601 -21.716 -0.961 1.00 0.00 C ATOM 80 O SER A 9 19.490 -21.941 -1.441 1.00 0.00 O ATOM 81 CB SER A 9 22.565 -22.977 -1.862 1.00 0.00 C ATOM 82 OG SER A 9 23.819 -23.470 -1.424 1.00 0.00 O ATOM 0 H SER A 9 20.942 -24.763 -1.273 1.00 0.00 H new ATOM 0 HA SER A 9 22.139 -22.625 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 9 22.152 -23.645 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 9 22.698 -22.004 -2.334 1.00 0.00 H new ATOM 0 HG SER A 9 24.428 -23.542 -2.189 1.00 0.00 H new ATOM 88 N SER A 10 21.019 -20.495 -0.644 1.00 0.00 N ATOM 89 CA SER A 10 20.175 -19.323 -0.844 1.00 0.00 C ATOM 90 C SER A 10 21.019 -18.055 -0.939 1.00 0.00 C ATOM 91 O SER A 10 21.859 -17.790 -0.079 1.00 0.00 O ATOM 92 CB SER A 10 19.166 -19.193 0.299 1.00 0.00 C ATOM 93 OG SER A 10 18.102 -20.116 0.146 1.00 0.00 O ATOM 0 H SER A 10 21.937 -20.292 -0.248 1.00 0.00 H new ATOM 0 HA SER A 10 19.636 -19.451 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 10 19.667 -19.365 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 10 18.770 -18.178 0.325 1.00 0.00 H new ATOM 0 HG SER A 10 18.354 -20.800 -0.509 1.00 0.00 H new ATOM 99 N SER A 11 20.789 -17.275 -1.990 1.00 0.00 N ATOM 100 CA SER A 11 21.530 -16.037 -2.200 1.00 0.00 C ATOM 101 C SER A 11 20.609 -14.932 -2.709 1.00 0.00 C ATOM 102 O SER A 11 19.933 -15.092 -3.726 1.00 0.00 O ATOM 103 CB SER A 11 22.671 -16.264 -3.194 1.00 0.00 C ATOM 104 OG SER A 11 22.178 -16.394 -4.516 1.00 0.00 O ATOM 0 H SER A 11 20.095 -17.478 -2.710 1.00 0.00 H new ATOM 0 HA SER A 11 21.948 -15.725 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.372 -15.431 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.224 -17.162 -2.919 1.00 0.00 H new ATOM 0 HG SER A 11 21.351 -15.876 -4.609 1.00 0.00 H new ATOM 110 N CYS A 12 20.588 -13.813 -1.995 1.00 0.00 N ATOM 111 CA CYS A 12 19.749 -12.681 -2.372 1.00 0.00 C ATOM 112 C CYS A 12 20.470 -11.780 -3.370 1.00 0.00 C ATOM 113 O CYS A 12 21.669 -11.528 -3.244 1.00 0.00 O ATOM 114 CB CYS A 12 19.355 -11.876 -1.133 1.00 0.00 C ATOM 115 SG CYS A 12 18.008 -10.702 -1.413 1.00 0.00 S ATOM 0 H CYS A 12 21.142 -13.665 -1.152 1.00 0.00 H new ATOM 0 HA CYS A 12 18.847 -13.070 -2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 12 19.062 -12.567 -0.342 1.00 0.00 H new ATOM 0 HB3 CYS A 12 20.228 -11.332 -0.774 1.00 0.00 H new ATOM 0 HG CYS A 12 17.745 -10.071 -0.307 1.00 0.00 H new ATOM 121 N THR A 13 19.731 -11.297 -4.365 1.00 0.00 N ATOM 122 CA THR A 13 20.298 -10.427 -5.386 1.00 0.00 C ATOM 123 C THR A 13 20.269 -8.968 -4.945 1.00 0.00 C ATOM 124 O THR A 13 19.309 -8.518 -4.319 1.00 0.00 O ATOM 125 CB THR A 13 19.544 -10.563 -6.722 1.00 0.00 C ATOM 126 OG1 THR A 13 19.531 -11.932 -7.141 1.00 0.00 O ATOM 127 CG2 THR A 13 20.191 -9.704 -7.799 1.00 0.00 C ATOM 0 H THR A 13 18.737 -11.495 -4.484 1.00 0.00 H new ATOM 0 HA THR A 13 21.333 -10.740 -5.528 1.00 0.00 H new ATOM 0 HB THR A 13 18.520 -10.220 -6.572 1.00 0.00 H new ATOM 0 HG1 THR A 13 19.048 -12.010 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 13 19.641 -9.817 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 13 20.172 -8.659 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 13 21.224 -10.021 -7.945 1.00 0.00 H new ATOM 135 N VAL A 14 21.326 -8.233 -5.275 1.00 0.00 N ATOM 136 CA VAL A 14 21.420 -6.824 -4.913 1.00 0.00 C ATOM 137 C VAL A 14 20.341 -6.004 -5.611 1.00 0.00 C ATOM 138 O VAL A 14 20.372 -5.824 -6.829 1.00 0.00 O ATOM 139 CB VAL A 14 22.802 -6.244 -5.271 1.00 0.00 C ATOM 140 CG1 VAL A 14 22.866 -4.765 -4.922 1.00 0.00 C ATOM 141 CG2 VAL A 14 23.904 -7.016 -4.562 1.00 0.00 C ATOM 0 H VAL A 14 22.129 -8.590 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 14 21.277 -6.764 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 14 22.953 -6.346 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 14 23.849 -4.372 -5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 14 22.101 -4.226 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 14 22.694 -4.636 -3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 14 24.873 -6.593 -4.827 1.00 0.00 H new ATOM 0 HG22 VAL A 14 23.760 -6.948 -3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 14 23.870 -8.062 -4.867 1.00 0.00 H new ATOM 151 N THR A 15 19.385 -5.509 -4.832 1.00 0.00 N ATOM 152 CA THR A 15 18.294 -4.708 -5.374 1.00 0.00 C ATOM 153 C THR A 15 18.796 -3.354 -5.863 1.00 0.00 C ATOM 154 O THR A 15 19.485 -2.636 -5.137 1.00 0.00 O ATOM 155 CB THR A 15 17.187 -4.485 -4.327 1.00 0.00 C ATOM 156 OG1 THR A 15 17.735 -3.869 -3.157 1.00 0.00 O ATOM 157 CG2 THR A 15 16.525 -5.802 -3.951 1.00 0.00 C ATOM 0 H THR A 15 19.344 -5.649 -3.822 1.00 0.00 H new ATOM 0 HA THR A 15 17.881 -5.265 -6.215 1.00 0.00 H new ATOM 0 HB THR A 15 16.433 -3.829 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.558 -3.393 -3.393 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.747 -5.619 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.082 -6.253 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.271 -6.478 -3.534 1.00 0.00 H new ATOM 165 N THR A 16 18.447 -3.009 -7.098 1.00 0.00 N ATOM 166 CA THR A 16 18.862 -1.741 -7.684 1.00 0.00 C ATOM 167 C THR A 16 17.806 -0.664 -7.468 1.00 0.00 C ATOM 168 O THR A 16 16.620 -0.887 -7.707 1.00 0.00 O ATOM 169 CB THR A 16 19.135 -1.882 -9.193 1.00 0.00 C ATOM 170 OG1 THR A 16 20.030 -2.975 -9.430 1.00 0.00 O ATOM 171 CG2 THR A 16 19.730 -0.601 -9.758 1.00 0.00 C ATOM 0 H THR A 16 17.877 -3.591 -7.712 1.00 0.00 H new ATOM 0 HA THR A 16 19.784 -1.447 -7.182 1.00 0.00 H new ATOM 0 HB THR A 16 18.186 -2.075 -9.694 1.00 0.00 H new ATOM 0 HG1 THR A 16 20.197 -3.059 -10.392 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.914 -0.725 -10.825 1.00 0.00 H new ATOM 0 HG22 THR A 16 19.033 0.223 -9.603 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.670 -0.382 -9.251 1.00 0.00 H new ATOM 179 N GLY A 17 18.245 0.507 -7.016 1.00 0.00 N ATOM 180 CA GLY A 17 17.324 1.603 -6.776 1.00 0.00 C ATOM 181 C GLY A 17 17.018 2.389 -8.036 1.00 0.00 C ATOM 182 O GLY A 17 17.920 2.718 -8.807 1.00 0.00 O ATOM 0 H GLY A 17 19.222 0.716 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 17 16.395 1.209 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 17 17.748 2.273 -6.028 1.00 0.00 H new ATOM 186 N THR A 18 15.740 2.691 -8.248 1.00 0.00 N ATOM 187 CA THR A 18 15.317 3.440 -9.424 1.00 0.00 C ATOM 188 C THR A 18 15.353 4.941 -9.161 1.00 0.00 C ATOM 189 O THR A 18 15.415 5.380 -8.011 1.00 0.00 O ATOM 190 CB THR A 18 13.896 3.041 -9.863 1.00 0.00 C ATOM 191 OG1 THR A 18 13.617 3.573 -11.163 1.00 0.00 O ATOM 192 CG2 THR A 18 12.860 3.547 -8.870 1.00 0.00 C ATOM 0 H THR A 18 14.981 2.428 -7.620 1.00 0.00 H new ATOM 0 HA THR A 18 16.017 3.197 -10.223 1.00 0.00 H new ATOM 0 HB THR A 18 13.843 1.953 -9.897 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.712 3.313 -11.435 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.864 3.253 -9.202 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.057 3.117 -7.888 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.916 4.634 -8.808 1.00 0.00 H new ATOM 200 N LEU A 19 15.312 5.726 -10.232 1.00 0.00 N ATOM 201 CA LEU A 19 15.339 7.180 -10.117 1.00 0.00 C ATOM 202 C LEU A 19 14.043 7.791 -10.639 1.00 0.00 C ATOM 203 O LEU A 19 13.568 7.438 -11.718 1.00 0.00 O ATOM 204 CB LEU A 19 16.531 7.750 -10.887 1.00 0.00 C ATOM 205 CG LEU A 19 17.849 6.988 -10.744 1.00 0.00 C ATOM 206 CD1 LEU A 19 18.138 6.691 -9.280 1.00 0.00 C ATOM 207 CD2 LEU A 19 17.811 5.700 -11.554 1.00 0.00 C ATOM 0 H LEU A 19 15.260 5.380 -11.190 1.00 0.00 H new ATOM 0 HA LEU A 19 15.440 7.435 -9.062 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.270 7.789 -11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.691 8.777 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 19 18.652 7.614 -11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 19 19.080 6.148 -9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.209 7.627 -8.726 1.00 0.00 H new ATOM 0 HD13 LEU A 19 17.332 6.085 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.757 5.171 -11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.997 5.069 -11.196 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.651 5.936 -12.606 1.00 0.00 H new ATOM 219 N GLY A 20 13.475 8.713 -9.866 1.00 0.00 N ATOM 220 CA GLY A 20 12.240 9.360 -10.269 1.00 0.00 C ATOM 221 C GLY A 20 11.655 10.226 -9.170 1.00 0.00 C ATOM 222 O GLY A 20 10.491 10.070 -8.801 1.00 0.00 O ATOM 0 H GLY A 20 13.848 9.023 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.425 9.973 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.512 8.601 -10.556 1.00 0.00 H new ATOM 226 N PHE A 21 12.464 11.140 -8.646 1.00 0.00 N ATOM 227 CA PHE A 21 12.021 12.033 -7.581 1.00 0.00 C ATOM 228 C PHE A 21 12.298 13.489 -7.941 1.00 0.00 C ATOM 229 O PHE A 21 13.378 13.826 -8.424 1.00 0.00 O ATOM 230 CB PHE A 21 12.719 11.679 -6.266 1.00 0.00 C ATOM 231 CG PHE A 21 14.218 11.698 -6.360 1.00 0.00 C ATOM 232 CD1 PHE A 21 14.902 10.652 -6.958 1.00 0.00 C ATOM 233 CD2 PHE A 21 14.944 12.762 -5.849 1.00 0.00 C ATOM 234 CE1 PHE A 21 16.281 10.666 -7.046 1.00 0.00 C ATOM 235 CE2 PHE A 21 16.323 12.782 -5.934 1.00 0.00 C ATOM 236 CZ PHE A 21 16.993 11.733 -6.533 1.00 0.00 C ATOM 0 H PHE A 21 13.430 11.282 -8.941 1.00 0.00 H new ATOM 0 HA PHE A 21 10.945 11.906 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.402 12.381 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.395 10.688 -5.947 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.350 9.815 -7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.426 13.585 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 21 16.801 9.844 -7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.877 13.618 -5.532 1.00 0.00 H new ATOM 0 HZ PHE A 21 18.071 11.747 -6.600 1.00 0.00 H new ATOM 246 N GLY A 22 11.313 14.350 -7.703 1.00 0.00 N ATOM 247 CA GLY A 22 11.469 15.760 -8.008 1.00 0.00 C ATOM 248 C GLY A 22 10.254 16.341 -8.703 1.00 0.00 C ATOM 249 O GLY A 22 10.338 16.785 -9.848 1.00 0.00 O ATOM 0 H GLY A 22 10.409 14.096 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.653 16.310 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.346 15.897 -8.641 1.00 0.00 H new ATOM 253 N ASP A 23 9.120 16.336 -8.011 1.00 0.00 N ATOM 254 CA ASP A 23 7.881 16.866 -8.569 1.00 0.00 C ATOM 255 C ASP A 23 7.598 16.256 -9.938 1.00 0.00 C ATOM 256 O ASP A 23 7.149 16.944 -10.856 1.00 0.00 O ATOM 257 CB ASP A 23 7.958 18.389 -8.681 1.00 0.00 C ATOM 258 CG ASP A 23 9.380 18.886 -8.851 1.00 0.00 C ATOM 259 OD1 ASP A 23 10.154 18.816 -7.874 1.00 0.00 O ATOM 260 OD2 ASP A 23 9.720 19.346 -9.962 1.00 0.00 O ATOM 0 H ASP A 23 9.033 15.971 -7.063 1.00 0.00 H new ATOM 0 HA ASP A 23 7.065 16.600 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.357 18.719 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.523 18.838 -7.788 1.00 0.00 H new ATOM 265 N LYS A 24 7.863 14.961 -10.070 1.00 0.00 N ATOM 266 CA LYS A 24 7.637 14.257 -11.327 1.00 0.00 C ATOM 267 C LYS A 24 6.474 13.278 -11.200 1.00 0.00 C ATOM 268 O LYS A 24 6.399 12.509 -10.241 1.00 0.00 O ATOM 269 CB LYS A 24 8.903 13.510 -11.752 1.00 0.00 C ATOM 270 CG LYS A 24 10.052 14.428 -12.132 1.00 0.00 C ATOM 271 CD LYS A 24 11.270 13.640 -12.584 1.00 0.00 C ATOM 272 CE LYS A 24 12.313 14.543 -13.223 1.00 0.00 C ATOM 273 NZ LYS A 24 11.993 14.839 -14.647 1.00 0.00 N ATOM 0 H LYS A 24 8.235 14.377 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 24 7.386 14.995 -12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.222 12.860 -10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.668 12.866 -12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.734 15.098 -12.931 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.318 15.052 -11.279 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.708 13.124 -11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.965 12.874 -13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.377 15.476 -12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.292 14.067 -13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.728 15.457 -15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.957 13.951 -15.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.071 15.316 -14.704 1.00 0.00 H new ATOM 287 N PHE A 25 5.571 13.309 -12.174 1.00 0.00 N ATOM 288 CA PHE A 25 4.413 12.423 -12.171 1.00 0.00 C ATOM 289 C PHE A 25 4.772 11.056 -12.746 1.00 0.00 C ATOM 290 O PHE A 25 3.895 10.247 -13.050 1.00 0.00 O ATOM 291 CB PHE A 25 3.269 13.042 -12.977 1.00 0.00 C ATOM 292 CG PHE A 25 2.381 13.941 -12.164 1.00 0.00 C ATOM 293 CD1 PHE A 25 2.733 15.262 -11.936 1.00 0.00 C ATOM 294 CD2 PHE A 25 1.195 13.466 -11.629 1.00 0.00 C ATOM 295 CE1 PHE A 25 1.918 16.090 -11.187 1.00 0.00 C ATOM 296 CE2 PHE A 25 0.376 14.290 -10.880 1.00 0.00 C ATOM 297 CZ PHE A 25 0.738 15.604 -10.660 1.00 0.00 C ATOM 0 H PHE A 25 5.619 13.938 -12.976 1.00 0.00 H new ATOM 0 HA PHE A 25 4.091 12.290 -11.138 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.687 13.611 -13.807 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.666 12.243 -13.409 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.654 15.648 -12.348 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.907 12.439 -11.799 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.204 17.117 -11.014 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.546 13.907 -10.468 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.099 16.251 -10.077 1.00 0.00 H new ATOM 307 N LYS A 26 6.069 10.805 -12.893 1.00 0.00 N ATOM 308 CA LYS A 26 6.547 9.536 -13.430 1.00 0.00 C ATOM 309 C LYS A 26 5.806 8.363 -12.796 1.00 0.00 C ATOM 310 O LYS A 26 5.331 7.467 -13.494 1.00 0.00 O ATOM 311 CB LYS A 26 8.051 9.392 -13.190 1.00 0.00 C ATOM 312 CG LYS A 26 8.904 10.056 -14.258 1.00 0.00 C ATOM 313 CD LYS A 26 9.036 9.178 -15.491 1.00 0.00 C ATOM 314 CE LYS A 26 10.131 8.136 -15.319 1.00 0.00 C ATOM 315 NZ LYS A 26 10.123 7.135 -16.421 1.00 0.00 N ATOM 0 H LYS A 26 6.808 11.464 -12.648 1.00 0.00 H new ATOM 0 HA LYS A 26 6.354 9.528 -14.503 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.298 9.823 -12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.303 8.333 -13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.461 11.012 -14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.894 10.269 -13.854 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.086 8.680 -15.688 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.256 9.799 -16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.101 8.631 -15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.000 7.626 -14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.884 6.443 -16.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.206 6.644 -16.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.273 7.618 -17.330 1.00 0.00 H new ATOM 329 N ARG A 27 5.709 8.377 -11.471 1.00 0.00 N ATOM 330 CA ARG A 27 5.025 7.314 -10.744 1.00 0.00 C ATOM 331 C ARG A 27 3.511 7.488 -10.823 1.00 0.00 C ATOM 332 O ARG A 27 2.998 8.591 -11.011 1.00 0.00 O ATOM 333 CB ARG A 27 5.472 7.299 -9.280 1.00 0.00 C ATOM 334 CG ARG A 27 6.846 6.686 -9.070 1.00 0.00 C ATOM 335 CD ARG A 27 7.079 6.329 -7.610 1.00 0.00 C ATOM 336 NE ARG A 27 7.045 7.506 -6.746 1.00 0.00 N ATOM 337 CZ ARG A 27 8.099 8.283 -6.521 1.00 0.00 C ATOM 338 NH1 ARG A 27 9.263 8.009 -7.093 1.00 0.00 N ATOM 339 NH2 ARG A 27 7.989 9.338 -5.723 1.00 0.00 N ATOM 0 H ARG A 27 6.095 9.112 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 27 5.289 6.363 -11.207 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.477 8.321 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.742 6.744 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.944 5.791 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.613 7.386 -9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.319 5.619 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.044 5.832 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 27 6.164 7.745 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.351 7.200 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.070 8.607 -6.918 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.095 9.553 -5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.799 9.934 -5.551 1.00 0.00 H new ATOM 353 N PRO A 28 2.779 6.374 -10.677 1.00 0.00 N ATOM 354 CA PRO A 28 1.314 6.377 -10.728 1.00 0.00 C ATOM 355 C PRO A 28 0.693 7.062 -9.515 1.00 0.00 C ATOM 356 O PRO A 28 0.234 6.399 -8.584 1.00 0.00 O ATOM 357 CB PRO A 28 0.956 4.889 -10.743 1.00 0.00 C ATOM 358 CG PRO A 28 2.111 4.215 -10.087 1.00 0.00 C ATOM 359 CD PRO A 28 3.325 5.025 -10.450 1.00 0.00 C ATOM 0 HA PRO A 28 0.938 6.929 -11.590 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.028 4.700 -10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.812 4.527 -11.761 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.977 4.176 -9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.211 3.186 -10.433 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.065 5.020 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.817 4.635 -11.341 1.00 0.00 H new ATOM 367 N ILE A 29 0.682 8.390 -9.533 1.00 0.00 N ATOM 368 CA ILE A 29 0.115 9.164 -8.434 1.00 0.00 C ATOM 369 C ILE A 29 0.702 8.728 -7.096 1.00 0.00 C ATOM 370 O ILE A 29 -0.022 8.553 -6.117 1.00 0.00 O ATOM 371 CB ILE A 29 -1.417 9.025 -8.380 1.00 0.00 C ATOM 372 CG1 ILE A 29 -2.023 9.275 -9.763 1.00 0.00 C ATOM 373 CG2 ILE A 29 -2.000 9.989 -7.358 1.00 0.00 C ATOM 374 CD1 ILE A 29 -3.350 8.580 -9.976 1.00 0.00 C ATOM 0 H ILE A 29 1.059 8.953 -10.296 1.00 0.00 H new ATOM 0 HA ILE A 29 0.370 10.208 -8.617 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.665 8.008 -8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.157 10.348 -9.903 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.320 8.939 -10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.084 9.879 -7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.588 9.768 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.746 11.012 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.720 8.802 -10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.218 7.503 -9.868 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.069 8.934 -9.237 1.00 0.00 H new ATOM 386 N GLY A 30 2.020 8.556 -7.061 1.00 0.00 N ATOM 387 CA GLY A 30 2.682 8.145 -5.837 1.00 0.00 C ATOM 388 C GLY A 30 2.090 6.876 -5.256 1.00 0.00 C ATOM 389 O GLY A 30 2.098 6.679 -4.041 1.00 0.00 O ATOM 0 H GLY A 30 2.641 8.694 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.742 7.990 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.609 8.946 -5.101 1.00 0.00 H new ATOM 393 N SER A 31 1.573 6.014 -6.125 1.00 0.00 N ATOM 394 CA SER A 31 0.969 4.760 -5.691 1.00 0.00 C ATOM 395 C SER A 31 2.035 3.693 -5.464 1.00 0.00 C ATOM 396 O SER A 31 3.226 3.939 -5.657 1.00 0.00 O ATOM 397 CB SER A 31 -0.045 4.271 -6.728 1.00 0.00 C ATOM 398 OG SER A 31 -1.085 5.216 -6.909 1.00 0.00 O ATOM 0 H SER A 31 1.560 6.161 -7.134 1.00 0.00 H new ATOM 0 HA SER A 31 0.454 4.941 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.459 4.093 -7.678 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.467 3.318 -6.408 1.00 0.00 H new ATOM 0 HG SER A 31 -0.727 6.016 -7.347 1.00 0.00 H new ATOM 404 N TRP A 32 1.599 2.508 -5.053 1.00 0.00 N ATOM 405 CA TRP A 32 2.515 1.402 -4.798 1.00 0.00 C ATOM 406 C TRP A 32 2.108 0.164 -5.590 1.00 0.00 C ATOM 407 O TRP A 32 0.925 -0.057 -5.847 1.00 0.00 O ATOM 408 CB TRP A 32 2.553 1.077 -3.304 1.00 0.00 C ATOM 409 CG TRP A 32 1.198 1.063 -2.665 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.402 2.142 -2.405 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.480 -0.087 -2.203 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.766 1.733 -1.810 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.743 0.370 -1.675 1.00 0.00 C ATOM 414 CE3 TRP A 32 0.751 -1.458 -2.185 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.691 -0.497 -1.136 1.00 0.00 C ATOM 416 CZ3 TRP A 32 -0.190 -2.316 -1.650 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.399 -1.833 -1.132 1.00 0.00 C ATOM 0 H TRP A 32 0.617 2.288 -4.889 1.00 0.00 H new ATOM 0 HA TRP A 32 3.510 1.706 -5.121 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.023 0.104 -3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.179 1.810 -2.796 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.654 3.167 -2.634 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.527 2.345 -1.516 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.680 -1.840 -2.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.623 -0.127 -0.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.010 -3.377 -1.631 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -2.115 -2.530 -0.721 1.00 0.00 H new ATOM 428 N GLU A 33 3.095 -0.639 -5.974 1.00 0.00 N ATOM 429 CA GLU A 33 2.837 -1.854 -6.738 1.00 0.00 C ATOM 430 C GLU A 33 2.805 -3.075 -5.823 1.00 0.00 C ATOM 431 O GLU A 33 3.828 -3.476 -5.267 1.00 0.00 O ATOM 432 CB GLU A 33 3.905 -2.041 -7.818 1.00 0.00 C ATOM 433 CG GLU A 33 3.646 -3.228 -8.730 1.00 0.00 C ATOM 434 CD GLU A 33 4.312 -3.079 -10.084 1.00 0.00 C ATOM 435 OE1 GLU A 33 3.677 -2.511 -10.998 1.00 0.00 O ATOM 436 OE2 GLU A 33 5.467 -3.530 -10.231 1.00 0.00 O ATOM 0 H GLU A 33 4.080 -0.470 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 33 1.862 -1.752 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.962 -1.135 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.876 -2.166 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.008 -4.137 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.571 -3.347 -8.869 1.00 0.00 H new ATOM 443 N CYS A 34 1.622 -3.662 -5.670 1.00 0.00 N ATOM 444 CA CYS A 34 1.454 -4.836 -4.823 1.00 0.00 C ATOM 445 C CYS A 34 2.462 -5.921 -5.190 1.00 0.00 C ATOM 446 O CYS A 34 3.184 -5.803 -6.180 1.00 0.00 O ATOM 447 CB CYS A 34 0.031 -5.382 -4.949 1.00 0.00 C ATOM 448 SG CYS A 34 -0.586 -6.205 -3.445 1.00 0.00 S ATOM 0 H CYS A 34 0.765 -3.343 -6.122 1.00 0.00 H new ATOM 0 HA CYS A 34 1.631 -4.536 -3.790 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.640 -4.562 -5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.003 -6.090 -5.777 1.00 0.00 H new ATOM 453 N SER A 35 2.504 -6.979 -4.386 1.00 0.00 N ATOM 454 CA SER A 35 3.425 -8.084 -4.625 1.00 0.00 C ATOM 455 C SER A 35 2.663 -9.375 -4.906 1.00 0.00 C ATOM 456 O SER A 35 3.071 -10.180 -5.743 1.00 0.00 O ATOM 457 CB SER A 35 4.348 -8.275 -3.420 1.00 0.00 C ATOM 458 OG SER A 35 5.435 -7.366 -3.460 1.00 0.00 O ATOM 0 H SER A 35 1.911 -7.094 -3.564 1.00 0.00 H new ATOM 0 HA SER A 35 4.027 -7.840 -5.500 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.783 -8.131 -2.499 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.725 -9.297 -3.406 1.00 0.00 H new ATOM 0 HG SER A 35 6.009 -7.508 -2.678 1.00 0.00 H new ATOM 464 N VAL A 36 1.553 -9.566 -4.200 1.00 0.00 N ATOM 465 CA VAL A 36 0.732 -10.758 -4.373 1.00 0.00 C ATOM 466 C VAL A 36 -0.089 -10.678 -5.654 1.00 0.00 C ATOM 467 O VAL A 36 -0.201 -11.655 -6.396 1.00 0.00 O ATOM 468 CB VAL A 36 -0.218 -10.963 -3.178 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.571 -11.254 -1.911 1.00 0.00 C ATOM 470 CG2 VAL A 36 -1.111 -9.745 -2.993 1.00 0.00 C ATOM 0 H VAL A 36 1.202 -8.910 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 36 1.414 -11.606 -4.435 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.854 -11.823 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.118 -11.396 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.163 -12.159 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.234 -10.416 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.776 -9.907 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.494 -8.866 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.704 -9.588 -3.894 1.00 0.00 H new ATOM 480 N CYS A 37 -0.664 -9.507 -5.910 1.00 0.00 N ATOM 481 CA CYS A 37 -1.476 -9.298 -7.102 1.00 0.00 C ATOM 482 C CYS A 37 -0.834 -8.266 -8.024 1.00 0.00 C ATOM 483 O CYS A 37 -1.242 -8.106 -9.175 1.00 0.00 O ATOM 484 CB CYS A 37 -2.884 -8.843 -6.712 1.00 0.00 C ATOM 485 SG CYS A 37 -2.977 -7.113 -6.148 1.00 0.00 S ATOM 0 H CYS A 37 -0.582 -8.688 -5.307 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.542 -10.246 -7.637 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.546 -8.971 -7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.258 -9.493 -5.921 1.00 0.00 H new ATOM 490 N CYS A 38 0.173 -7.568 -7.511 1.00 0.00 N ATOM 491 CA CYS A 38 0.873 -6.550 -8.287 1.00 0.00 C ATOM 492 C CYS A 38 -0.112 -5.557 -8.895 1.00 0.00 C ATOM 493 O CYS A 38 -0.032 -5.234 -10.080 1.00 0.00 O ATOM 494 CB CYS A 38 1.704 -7.204 -9.392 1.00 0.00 C ATOM 495 SG CYS A 38 2.985 -8.327 -8.786 1.00 0.00 S ATOM 0 H CYS A 38 0.523 -7.688 -6.561 1.00 0.00 H new ATOM 0 HA CYS A 38 1.538 -6.008 -7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.037 -7.755 -10.055 1.00 0.00 H new ATOM 0 HB3 CYS A 38 2.174 -6.423 -9.989 1.00 0.00 H new ATOM 0 HG CYS A 38 2.596 -8.866 -7.669 1.00 0.00 H new ATOM 501 N VAL A 39 -1.042 -5.078 -8.075 1.00 0.00 N ATOM 502 CA VAL A 39 -2.044 -4.122 -8.531 1.00 0.00 C ATOM 503 C VAL A 39 -1.836 -2.757 -7.885 1.00 0.00 C ATOM 504 O VAL A 39 -1.391 -2.662 -6.741 1.00 0.00 O ATOM 505 CB VAL A 39 -3.471 -4.613 -8.221 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.496 -3.561 -8.617 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.746 -5.930 -8.930 1.00 0.00 C ATOM 0 H VAL A 39 -1.122 -5.336 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.926 -4.031 -9.611 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.554 -4.780 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.498 -3.926 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.309 -2.643 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.416 -3.359 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.758 -6.263 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.645 -5.792 -10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.032 -6.681 -8.592 1.00 0.00 H new ATOM 517 N SER A 40 -2.162 -1.702 -8.624 1.00 0.00 N ATOM 518 CA SER A 40 -2.008 -0.341 -8.124 1.00 0.00 C ATOM 519 C SER A 40 -3.058 -0.031 -7.061 1.00 0.00 C ATOM 520 O SER A 40 -4.145 -0.607 -7.060 1.00 0.00 O ATOM 521 CB SER A 40 -2.118 0.663 -9.274 1.00 0.00 C ATOM 522 OG SER A 40 -3.372 0.558 -9.924 1.00 0.00 O ATOM 0 H SER A 40 -2.535 -1.763 -9.572 1.00 0.00 H new ATOM 0 HA SER A 40 -1.021 -0.256 -7.670 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.987 1.675 -8.891 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.317 0.488 -9.992 1.00 0.00 H new ATOM 0 HG SER A 40 -3.418 1.211 -10.653 1.00 0.00 H new ATOM 528 N ASN A 41 -2.723 0.885 -6.158 1.00 0.00 N ATOM 529 CA ASN A 41 -3.636 1.272 -5.088 1.00 0.00 C ATOM 530 C ASN A 41 -3.324 2.680 -4.590 1.00 0.00 C ATOM 531 O ASN A 41 -2.319 3.277 -4.975 1.00 0.00 O ATOM 532 CB ASN A 41 -3.548 0.277 -3.929 1.00 0.00 C ATOM 533 CG ASN A 41 -3.660 -1.162 -4.393 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.687 -1.574 -4.931 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.600 -1.935 -4.184 1.00 0.00 N ATOM 0 H ASN A 41 -1.827 1.373 -6.146 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.650 1.264 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.601 0.415 -3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.341 0.488 -3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.617 -2.913 -4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.769 -1.551 -3.734 1.00 0.00 H new ATOM 542 N ASN A 42 -4.191 3.203 -3.730 1.00 0.00 N ATOM 543 CA ASN A 42 -4.008 4.541 -3.178 1.00 0.00 C ATOM 544 C ASN A 42 -2.833 4.572 -2.206 1.00 0.00 C ATOM 545 O ASN A 42 -2.756 3.762 -1.283 1.00 0.00 O ATOM 546 CB ASN A 42 -5.284 5.002 -2.469 1.00 0.00 C ATOM 547 CG ASN A 42 -6.533 4.702 -3.275 1.00 0.00 C ATOM 548 OD1 ASN A 42 -7.276 3.771 -2.965 1.00 0.00 O ATOM 549 ND2 ASN A 42 -6.770 5.493 -4.315 1.00 0.00 N ATOM 0 H ASN A 42 -5.027 2.721 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.793 5.221 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.355 4.511 -1.498 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.225 6.074 -2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.596 5.341 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.126 6.253 -4.535 1.00 0.00 H new ATOM 556 N ALA A 43 -1.920 5.514 -2.420 1.00 0.00 N ATOM 557 CA ALA A 43 -0.750 5.653 -1.562 1.00 0.00 C ATOM 558 C ALA A 43 -1.148 5.664 -0.089 1.00 0.00 C ATOM 559 O ALA A 43 -0.578 4.935 0.722 1.00 0.00 O ATOM 560 CB ALA A 43 0.015 6.920 -1.913 1.00 0.00 C ATOM 0 H ALA A 43 -1.968 6.192 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.102 4.793 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.886 7.011 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.340 6.873 -2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.632 7.786 -1.774 1.00 0.00 H new ATOM 566 N GLU A 44 -2.128 6.497 0.248 1.00 0.00 N ATOM 567 CA GLU A 44 -2.600 6.603 1.624 1.00 0.00 C ATOM 568 C GLU A 44 -3.057 5.245 2.148 1.00 0.00 C ATOM 569 O GLU A 44 -2.733 4.860 3.272 1.00 0.00 O ATOM 570 CB GLU A 44 -3.747 7.611 1.717 1.00 0.00 C ATOM 571 CG GLU A 44 -3.395 8.986 1.174 1.00 0.00 C ATOM 572 CD GLU A 44 -4.286 10.079 1.731 1.00 0.00 C ATOM 573 OE1 GLU A 44 -5.471 10.132 1.343 1.00 0.00 O ATOM 574 OE2 GLU A 44 -3.798 10.880 2.555 1.00 0.00 O ATOM 0 H GLU A 44 -2.610 7.107 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.771 6.950 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.606 7.223 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.050 7.708 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.356 9.212 1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.476 8.975 0.087 1.00 0.00 H new ATOM 581 N ASP A 45 -3.813 4.525 1.327 1.00 0.00 N ATOM 582 CA ASP A 45 -4.316 3.209 1.707 1.00 0.00 C ATOM 583 C ASP A 45 -3.166 2.262 2.035 1.00 0.00 C ATOM 584 O ASP A 45 -2.354 1.934 1.171 1.00 0.00 O ATOM 585 CB ASP A 45 -5.172 2.623 0.583 1.00 0.00 C ATOM 586 CG ASP A 45 -6.628 3.030 0.690 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.906 4.247 0.674 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.490 2.132 0.792 1.00 0.00 O ATOM 0 H ASP A 45 -4.091 4.830 0.394 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.932 3.326 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.776 2.950 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.099 1.536 0.605 1.00 0.00 H new ATOM 593 N ASN A 46 -3.105 1.827 3.289 1.00 0.00 N ATOM 594 CA ASN A 46 -2.053 0.918 3.732 1.00 0.00 C ATOM 595 C ASN A 46 -2.415 -0.529 3.413 1.00 0.00 C ATOM 596 O ASN A 46 -1.802 -1.463 3.932 1.00 0.00 O ATOM 597 CB ASN A 46 -1.813 1.076 5.235 1.00 0.00 C ATOM 598 CG ASN A 46 -3.102 1.032 6.034 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.053 1.756 5.739 1.00 0.00 O ATOM 600 ND2 ASN A 46 -3.138 0.180 7.052 1.00 0.00 N ATOM 0 H ASN A 46 -3.771 2.089 4.016 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.138 1.172 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.148 0.284 5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.305 2.022 5.422 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.978 0.106 7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.326 -0.401 7.260 1.00 0.00 H new ATOM 607 N LYS A 47 -3.414 -0.708 2.555 1.00 0.00 N ATOM 608 CA LYS A 47 -3.857 -2.041 2.164 1.00 0.00 C ATOM 609 C LYS A 47 -4.292 -2.062 0.702 1.00 0.00 C ATOM 610 O LYS A 47 -4.513 -1.014 0.094 1.00 0.00 O ATOM 611 CB LYS A 47 -5.011 -2.500 3.058 1.00 0.00 C ATOM 612 CG LYS A 47 -4.560 -3.264 4.290 1.00 0.00 C ATOM 613 CD LYS A 47 -4.494 -4.759 4.025 1.00 0.00 C ATOM 614 CE LYS A 47 -3.967 -5.517 5.234 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.204 -6.982 5.117 1.00 0.00 N ATOM 0 H LYS A 47 -3.932 0.054 2.117 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.018 -2.726 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.585 -1.628 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.682 -3.131 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.580 -2.905 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.248 -3.069 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.487 -5.128 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.850 -4.949 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.899 -5.330 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.450 -5.142 6.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.846 -7.461 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.224 -7.162 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.708 -7.348 4.279 1.00 0.00 H new ATOM 629 N CYS A 48 -4.416 -3.262 0.144 1.00 0.00 N ATOM 630 CA CYS A 48 -4.826 -3.420 -1.246 1.00 0.00 C ATOM 631 C CYS A 48 -6.347 -3.424 -1.367 1.00 0.00 C ATOM 632 O CYS A 48 -7.061 -3.455 -0.365 1.00 0.00 O ATOM 633 CB CYS A 48 -4.254 -4.716 -1.824 1.00 0.00 C ATOM 634 SG CYS A 48 -4.100 -4.717 -3.639 1.00 0.00 S ATOM 0 H CYS A 48 -4.238 -4.139 0.633 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.436 -2.574 -1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.271 -4.894 -1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.892 -5.548 -1.524 1.00 0.00 H new ATOM 639 N VAL A 49 -6.837 -3.392 -2.603 1.00 0.00 N ATOM 640 CA VAL A 49 -8.273 -3.392 -2.856 1.00 0.00 C ATOM 641 C VAL A 49 -8.691 -4.629 -3.644 1.00 0.00 C ATOM 642 O VAL A 49 -9.832 -5.082 -3.549 1.00 0.00 O ATOM 643 CB VAL A 49 -8.707 -2.133 -3.630 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.251 -0.877 -2.904 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.161 -2.166 -5.050 1.00 0.00 C ATOM 0 H VAL A 49 -6.261 -3.366 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.766 -3.399 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.796 -2.118 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.566 0.003 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.695 -0.851 -1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.165 -0.881 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.477 -1.269 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.072 -2.205 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.542 -3.047 -5.566 1.00 0.00 H new ATOM 655 N SER A 50 -7.760 -5.171 -4.422 1.00 0.00 N ATOM 656 CA SER A 50 -8.032 -6.354 -5.229 1.00 0.00 C ATOM 657 C SER A 50 -7.811 -7.628 -4.419 1.00 0.00 C ATOM 658 O SER A 50 -8.581 -8.584 -4.520 1.00 0.00 O ATOM 659 CB SER A 50 -7.141 -6.366 -6.472 1.00 0.00 C ATOM 660 OG SER A 50 -7.619 -7.290 -7.434 1.00 0.00 O ATOM 0 H SER A 50 -6.810 -4.809 -4.511 1.00 0.00 H new ATOM 0 HA SER A 50 -9.076 -6.318 -5.539 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.107 -5.368 -6.908 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.121 -6.626 -6.189 1.00 0.00 H new ATOM 0 HG SER A 50 -7.033 -7.277 -8.219 1.00 0.00 H new ATOM 666 N CYS A 51 -6.754 -7.634 -3.614 1.00 0.00 N ATOM 667 CA CYS A 51 -6.429 -8.788 -2.786 1.00 0.00 C ATOM 668 C CYS A 51 -6.550 -8.446 -1.304 1.00 0.00 C ATOM 669 O CYS A 51 -6.588 -9.334 -0.452 1.00 0.00 O ATOM 670 CB CYS A 51 -5.013 -9.280 -3.093 1.00 0.00 C ATOM 671 SG CYS A 51 -3.696 -8.163 -2.514 1.00 0.00 S ATOM 0 H CYS A 51 -6.107 -6.851 -3.518 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.140 -9.581 -3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.872 -10.259 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.912 -9.415 -4.170 1.00 0.00 H new ATOM 676 N MET A 52 -6.610 -7.153 -1.004 1.00 0.00 N ATOM 677 CA MET A 52 -6.728 -6.693 0.375 1.00 0.00 C ATOM 678 C MET A 52 -5.548 -7.176 1.212 1.00 0.00 C ATOM 679 O MET A 52 -5.713 -7.558 2.371 1.00 0.00 O ATOM 680 CB MET A 52 -8.040 -7.185 0.988 1.00 0.00 C ATOM 681 CG MET A 52 -9.273 -6.759 0.208 1.00 0.00 C ATOM 682 SD MET A 52 -10.809 -7.251 1.014 1.00 0.00 S ATOM 683 CE MET A 52 -10.631 -9.033 1.024 1.00 0.00 C ATOM 0 H MET A 52 -6.579 -6.405 -1.697 1.00 0.00 H new ATOM 0 HA MET A 52 -6.724 -5.603 0.370 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.017 -8.273 1.050 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.118 -6.810 2.008 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.263 -5.676 0.084 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.235 -7.195 -0.790 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.598 -9.496 0.830 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.924 -9.332 0.251 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.262 -9.356 1.997 1.00 0.00 H new ATOM 693 N SER A 53 -4.359 -7.158 0.618 1.00 0.00 N ATOM 694 CA SER A 53 -3.153 -7.599 1.309 1.00 0.00 C ATOM 695 C SER A 53 -2.368 -6.406 1.846 1.00 0.00 C ATOM 696 O SER A 53 -2.400 -5.319 1.271 1.00 0.00 O ATOM 697 CB SER A 53 -2.272 -8.421 0.366 1.00 0.00 C ATOM 698 OG SER A 53 -1.056 -8.787 0.994 1.00 0.00 O ATOM 0 H SER A 53 -4.205 -6.843 -0.340 1.00 0.00 H new ATOM 0 HA SER A 53 -3.453 -8.223 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.807 -9.317 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.061 -7.844 -0.534 1.00 0.00 H new ATOM 0 HG SER A 53 -0.512 -9.313 0.371 1.00 0.00 H new ATOM 704 N GLU A 54 -1.664 -6.619 2.953 1.00 0.00 N ATOM 705 CA GLU A 54 -0.871 -5.562 3.569 1.00 0.00 C ATOM 706 C GLU A 54 0.058 -4.913 2.547 1.00 0.00 C ATOM 707 O GLU A 54 0.441 -5.535 1.556 1.00 0.00 O ATOM 708 CB GLU A 54 -0.054 -6.120 4.736 1.00 0.00 C ATOM 709 CG GLU A 54 -0.905 -6.661 5.872 1.00 0.00 C ATOM 710 CD GLU A 54 -1.211 -5.612 6.923 1.00 0.00 C ATOM 711 OE1 GLU A 54 -0.405 -4.670 7.072 1.00 0.00 O ATOM 712 OE2 GLU A 54 -2.256 -5.732 7.596 1.00 0.00 O ATOM 0 H GLU A 54 -1.627 -7.514 3.441 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.556 -4.802 3.946 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.593 -6.916 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.595 -5.334 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.840 -7.048 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.389 -7.499 6.340 1.00 0.00 H new ATOM 719 N LYS A 55 0.416 -3.658 2.796 1.00 0.00 N ATOM 720 CA LYS A 55 1.301 -2.923 1.900 1.00 0.00 C ATOM 721 C LYS A 55 2.724 -2.888 2.447 1.00 0.00 C ATOM 722 O LYS A 55 2.955 -2.617 3.626 1.00 0.00 O ATOM 723 CB LYS A 55 0.785 -1.496 1.699 1.00 0.00 C ATOM 724 CG LYS A 55 1.747 -0.604 0.932 1.00 0.00 C ATOM 725 CD LYS A 55 1.315 0.852 0.978 1.00 0.00 C ATOM 726 CE LYS A 55 2.269 1.742 0.197 1.00 0.00 C ATOM 727 NZ LYS A 55 3.430 2.172 1.024 1.00 0.00 N ATOM 0 H LYS A 55 0.107 -3.128 3.611 1.00 0.00 H new ATOM 0 HA LYS A 55 1.313 -3.438 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.165 -1.534 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.587 -1.049 2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.748 -0.701 1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.803 -0.935 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.309 0.947 0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.270 1.187 2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.628 1.206 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.734 2.621 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.056 2.777 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.090 2.705 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.956 1.335 1.346 1.00 0.00 H new ATOM 741 N PRO A 56 3.702 -3.168 1.573 1.00 0.00 N ATOM 742 CA PRO A 56 5.120 -3.173 1.946 1.00 0.00 C ATOM 743 C PRO A 56 5.647 -1.773 2.239 1.00 0.00 C ATOM 744 O PRO A 56 5.237 -0.800 1.607 1.00 0.00 O ATOM 745 CB PRO A 56 5.810 -3.757 0.711 1.00 0.00 C ATOM 746 CG PRO A 56 4.890 -3.448 -0.419 1.00 0.00 C ATOM 747 CD PRO A 56 3.500 -3.500 0.153 1.00 0.00 C ATOM 0 HA PRO A 56 5.299 -3.741 2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.791 -3.308 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.963 -4.831 0.814 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.103 -2.465 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.007 -4.171 -1.226 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.837 -2.786 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.052 -4.486 0.031 1.00 0.00 H new ATOM 755 N GLY A 57 6.560 -1.678 3.201 1.00 0.00 N ATOM 756 CA GLY A 57 7.129 -0.392 3.560 1.00 0.00 C ATOM 757 C GLY A 57 7.081 -0.133 5.052 1.00 0.00 C ATOM 758 O GLY A 57 6.536 0.889 5.465 1.00 0.00 O ATOM 0 H GLY A 57 6.916 -2.469 3.738 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.164 -0.348 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.589 0.399 3.040 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.820 -6.665 -3.948 1.00 0.00 ZN