USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=23 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 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 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0139 (180deg=-0.181) USER MOD Single : A 31 SER OG : rot 180:sc= -0.117 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -78:sc= -0.192 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= 0.0906 F(o=-1.1,f=0.091) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -161:sc= -0.0409 (180deg=-0.348) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -156:sc= -0.1 (180deg=-0.535) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.098 11.848 -14.610 1.00 0.00 N ATOM 2 CA GLY A 1 -1.826 12.700 -15.753 1.00 0.00 C ATOM 3 C GLY A 1 -2.557 12.246 -17.001 1.00 0.00 C ATOM 4 O GLY A 1 -2.550 11.061 -17.336 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.575 12.200 -13.783 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.118 11.857 -14.405 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.796 10.876 -14.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.117 13.723 -15.517 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.754 12.711 -15.947 1.00 0.00 H new ATOM 8 N SER A 2 -3.192 13.189 -17.690 1.00 0.00 N ATOM 9 CA SER A 2 -3.935 12.878 -18.905 1.00 0.00 C ATOM 10 C SER A 2 -3.243 13.466 -20.131 1.00 0.00 C ATOM 11 O SER A 2 -2.803 14.616 -20.117 1.00 0.00 O ATOM 12 CB SER A 2 -5.364 13.417 -18.805 1.00 0.00 C ATOM 13 OG SER A 2 -6.180 12.557 -18.027 1.00 0.00 O ATOM 0 H SER A 2 -3.207 14.174 -17.427 1.00 0.00 H new ATOM 0 HA SER A 2 -3.969 11.794 -19.014 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.351 14.412 -18.360 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.788 13.520 -19.804 1.00 0.00 H new ATOM 0 HG SER A 2 -7.087 12.924 -17.977 1.00 0.00 H new ATOM 19 N SER A 3 -3.151 12.668 -21.190 1.00 0.00 N ATOM 20 CA SER A 3 -2.509 13.106 -22.423 1.00 0.00 C ATOM 21 C SER A 3 -3.526 13.219 -23.555 1.00 0.00 C ATOM 22 O SER A 3 -4.603 12.626 -23.498 1.00 0.00 O ATOM 23 CB SER A 3 -1.396 12.133 -22.818 1.00 0.00 C ATOM 24 OG SER A 3 -0.245 12.322 -22.014 1.00 0.00 O ATOM 0 H SER A 3 -3.513 11.715 -21.218 1.00 0.00 H new ATOM 0 HA SER A 3 -2.076 14.091 -22.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.751 11.108 -22.715 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.138 12.277 -23.867 1.00 0.00 H new ATOM 0 HG SER A 3 0.451 11.687 -22.285 1.00 0.00 H new ATOM 30 N GLY A 4 -3.176 13.985 -24.583 1.00 0.00 N ATOM 31 CA GLY A 4 -4.068 14.163 -25.714 1.00 0.00 C ATOM 32 C GLY A 4 -3.831 15.472 -26.440 1.00 0.00 C ATOM 33 O GLY A 4 -3.792 15.509 -27.670 1.00 0.00 O ATOM 0 H GLY A 4 -2.290 14.486 -24.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.935 13.336 -26.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.101 14.125 -25.367 1.00 0.00 H new ATOM 37 N SER A 5 -3.673 16.549 -25.678 1.00 0.00 N ATOM 38 CA SER A 5 -3.443 17.868 -26.256 1.00 0.00 C ATOM 39 C SER A 5 -2.172 17.878 -27.099 1.00 0.00 C ATOM 40 O SER A 5 -1.372 16.944 -27.047 1.00 0.00 O ATOM 41 CB SER A 5 -3.346 18.922 -25.152 1.00 0.00 C ATOM 42 OG SER A 5 -4.615 19.178 -24.577 1.00 0.00 O ATOM 0 H SER A 5 -3.700 16.534 -24.658 1.00 0.00 H new ATOM 0 HA SER A 5 -4.288 18.107 -26.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.656 18.582 -24.380 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.936 19.845 -25.562 1.00 0.00 H new ATOM 0 HG SER A 5 -4.525 19.854 -23.873 1.00 0.00 H new ATOM 48 N SER A 6 -1.992 18.942 -27.876 1.00 0.00 N ATOM 49 CA SER A 6 -0.820 19.073 -28.733 1.00 0.00 C ATOM 50 C SER A 6 0.395 19.521 -27.927 1.00 0.00 C ATOM 51 O SER A 6 0.303 20.420 -27.092 1.00 0.00 O ATOM 52 CB SER A 6 -1.096 20.071 -29.860 1.00 0.00 C ATOM 53 OG SER A 6 -1.308 21.374 -29.346 1.00 0.00 O ATOM 0 H SER A 6 -2.643 19.725 -27.929 1.00 0.00 H new ATOM 0 HA SER A 6 -0.606 18.096 -29.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.255 20.083 -30.554 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.972 19.753 -30.426 1.00 0.00 H new ATOM 0 HG SER A 6 -1.481 21.993 -30.086 1.00 0.00 H new ATOM 59 N GLY A 7 1.535 18.886 -28.185 1.00 0.00 N ATOM 60 CA GLY A 7 2.753 19.232 -27.476 1.00 0.00 C ATOM 61 C GLY A 7 3.263 20.612 -27.839 1.00 0.00 C ATOM 62 O GLY A 7 2.489 21.483 -28.235 1.00 0.00 O ATOM 0 H GLY A 7 1.636 18.139 -28.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.570 19.186 -26.402 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.522 18.493 -27.700 1.00 0.00 H new ATOM 66 N SER A 8 4.570 20.814 -27.702 1.00 0.00 N ATOM 67 CA SER A 8 5.182 22.100 -28.013 1.00 0.00 C ATOM 68 C SER A 8 6.605 21.914 -28.530 1.00 0.00 C ATOM 69 O SER A 8 7.214 20.861 -28.338 1.00 0.00 O ATOM 70 CB SER A 8 5.190 22.998 -26.775 1.00 0.00 C ATOM 71 OG SER A 8 3.872 23.267 -26.331 1.00 0.00 O ATOM 0 H SER A 8 5.225 20.103 -27.378 1.00 0.00 H new ATOM 0 HA SER A 8 4.590 22.576 -28.794 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.755 22.517 -25.977 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.698 23.935 -27.005 1.00 0.00 H new ATOM 0 HG SER A 8 3.905 23.841 -25.538 1.00 0.00 H new ATOM 77 N SER A 9 7.130 22.944 -29.186 1.00 0.00 N ATOM 78 CA SER A 9 8.480 22.894 -29.734 1.00 0.00 C ATOM 79 C SER A 9 9.505 23.337 -28.695 1.00 0.00 C ATOM 80 O SER A 9 9.349 24.380 -28.059 1.00 0.00 O ATOM 81 CB SER A 9 8.582 23.779 -30.978 1.00 0.00 C ATOM 82 OG SER A 9 9.915 23.837 -31.455 1.00 0.00 O ATOM 0 H SER A 9 6.641 23.824 -29.351 1.00 0.00 H new ATOM 0 HA SER A 9 8.694 21.862 -30.013 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.929 23.390 -31.760 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.233 24.784 -30.743 1.00 0.00 H new ATOM 0 HG SER A 9 9.953 24.407 -32.251 1.00 0.00 H new ATOM 88 N SER A 10 10.554 22.538 -28.529 1.00 0.00 N ATOM 89 CA SER A 10 11.604 22.845 -27.565 1.00 0.00 C ATOM 90 C SER A 10 12.980 22.786 -28.222 1.00 0.00 C ATOM 91 O SER A 10 13.102 22.461 -29.403 1.00 0.00 O ATOM 92 CB SER A 10 11.546 21.870 -26.387 1.00 0.00 C ATOM 93 OG SER A 10 10.271 21.893 -25.769 1.00 0.00 O ATOM 0 H SER A 10 10.699 21.673 -29.050 1.00 0.00 H new ATOM 0 HA SER A 10 11.440 23.858 -27.197 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.767 20.861 -26.735 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.312 22.131 -25.657 1.00 0.00 H new ATOM 0 HG SER A 10 10.259 21.261 -25.021 1.00 0.00 H new ATOM 99 N SER A 11 14.013 23.102 -27.447 1.00 0.00 N ATOM 100 CA SER A 11 15.380 23.089 -27.954 1.00 0.00 C ATOM 101 C SER A 11 15.770 21.692 -28.427 1.00 0.00 C ATOM 102 O SER A 11 15.039 20.725 -28.212 1.00 0.00 O ATOM 103 CB SER A 11 16.352 23.563 -26.872 1.00 0.00 C ATOM 104 OG SER A 11 16.640 22.523 -25.953 1.00 0.00 O ATOM 0 H SER A 11 13.929 23.370 -26.466 1.00 0.00 H new ATOM 0 HA SER A 11 15.433 23.770 -28.804 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.276 23.909 -27.335 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.924 24.413 -26.341 1.00 0.00 H new ATOM 0 HG SER A 11 17.264 22.851 -25.273 1.00 0.00 H new ATOM 110 N CYS A 12 16.928 21.594 -29.071 1.00 0.00 N ATOM 111 CA CYS A 12 17.417 20.316 -29.576 1.00 0.00 C ATOM 112 C CYS A 12 17.588 19.313 -28.441 1.00 0.00 C ATOM 113 O CYS A 12 18.200 19.615 -27.416 1.00 0.00 O ATOM 114 CB CYS A 12 18.746 20.508 -30.308 1.00 0.00 C ATOM 115 SG CYS A 12 19.054 19.291 -31.609 1.00 0.00 S ATOM 0 H CYS A 12 17.546 22.384 -29.256 1.00 0.00 H new ATOM 0 HA CYS A 12 16.679 19.923 -30.275 1.00 0.00 H new ATOM 0 HB2 CYS A 12 18.766 21.506 -30.746 1.00 0.00 H new ATOM 0 HB3 CYS A 12 19.558 20.462 -29.582 1.00 0.00 H new ATOM 0 HG CYS A 12 20.200 19.537 -32.171 1.00 0.00 H new ATOM 121 N THR A 13 17.040 18.116 -28.628 1.00 0.00 N ATOM 122 CA THR A 13 17.129 17.068 -27.619 1.00 0.00 C ATOM 123 C THR A 13 18.159 16.014 -28.011 1.00 0.00 C ATOM 124 O THR A 13 18.257 15.629 -29.176 1.00 0.00 O ATOM 125 CB THR A 13 15.768 16.382 -27.400 1.00 0.00 C ATOM 126 OG1 THR A 13 14.740 17.369 -27.259 1.00 0.00 O ATOM 127 CG2 THR A 13 15.801 15.497 -26.163 1.00 0.00 C ATOM 0 H THR A 13 16.530 17.848 -29.470 1.00 0.00 H new ATOM 0 HA THR A 13 17.439 17.548 -26.691 1.00 0.00 H new ATOM 0 HB THR A 13 15.556 15.758 -28.268 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.877 16.925 -27.122 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.829 15.023 -26.029 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.565 14.729 -26.285 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.033 16.104 -25.288 1.00 0.00 H new ATOM 135 N VAL A 14 18.926 15.549 -27.029 1.00 0.00 N ATOM 136 CA VAL A 14 19.947 14.537 -27.271 1.00 0.00 C ATOM 137 C VAL A 14 19.338 13.271 -27.860 1.00 0.00 C ATOM 138 O VAL A 14 18.116 13.136 -27.944 1.00 0.00 O ATOM 139 CB VAL A 14 20.699 14.178 -25.975 1.00 0.00 C ATOM 140 CG1 VAL A 14 21.436 15.392 -25.431 1.00 0.00 C ATOM 141 CG2 VAL A 14 19.735 13.619 -24.939 1.00 0.00 C ATOM 0 H VAL A 14 18.859 15.857 -26.059 1.00 0.00 H new ATOM 0 HA VAL A 14 20.652 14.963 -27.985 1.00 0.00 H new ATOM 0 HB VAL A 14 21.437 13.409 -26.204 1.00 0.00 H new ATOM 0 HG11 VAL A 14 21.961 15.119 -24.516 1.00 0.00 H new ATOM 0 HG12 VAL A 14 22.155 15.743 -26.171 1.00 0.00 H new ATOM 0 HG13 VAL A 14 20.721 16.186 -25.216 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.282 13.370 -24.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 18.973 14.364 -24.712 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.258 12.721 -25.333 1.00 0.00 H new ATOM 151 N THR A 15 20.197 12.341 -28.268 1.00 0.00 N ATOM 152 CA THR A 15 19.743 11.085 -28.851 1.00 0.00 C ATOM 153 C THR A 15 19.563 10.015 -27.779 1.00 0.00 C ATOM 154 O THR A 15 20.443 9.803 -26.944 1.00 0.00 O ATOM 155 CB THR A 15 20.732 10.569 -29.913 1.00 0.00 C ATOM 156 OG1 THR A 15 20.891 11.544 -30.949 1.00 0.00 O ATOM 157 CG2 THR A 15 20.247 9.258 -30.513 1.00 0.00 C ATOM 0 H THR A 15 21.211 12.435 -28.205 1.00 0.00 H new ATOM 0 HA THR A 15 18.783 11.286 -29.326 1.00 0.00 H new ATOM 0 HB THR A 15 21.693 10.395 -29.428 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.523 11.209 -31.619 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.962 8.913 -31.260 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.156 8.509 -29.726 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.276 9.410 -30.983 1.00 0.00 H new ATOM 165 N THR A 16 18.417 9.343 -27.808 1.00 0.00 N ATOM 166 CA THR A 16 18.120 8.295 -26.839 1.00 0.00 C ATOM 167 C THR A 16 17.323 7.164 -27.478 1.00 0.00 C ATOM 168 O THR A 16 16.471 7.399 -28.334 1.00 0.00 O ATOM 169 CB THR A 16 17.332 8.848 -25.637 1.00 0.00 C ATOM 170 OG1 THR A 16 18.112 9.834 -24.951 1.00 0.00 O ATOM 171 CG2 THR A 16 16.958 7.731 -24.675 1.00 0.00 C ATOM 0 H THR A 16 17.678 9.506 -28.492 1.00 0.00 H new ATOM 0 HA THR A 16 19.077 7.908 -26.489 1.00 0.00 H new ATOM 0 HB THR A 16 16.416 9.306 -26.011 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.603 10.182 -24.189 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.402 8.146 -23.834 1.00 0.00 H new ATOM 0 HG22 THR A 16 16.340 6.997 -25.192 1.00 0.00 H new ATOM 0 HG23 THR A 16 17.864 7.248 -24.308 1.00 0.00 H new ATOM 179 N GLY A 17 17.605 5.935 -27.056 1.00 0.00 N ATOM 180 CA GLY A 17 16.904 4.785 -27.598 1.00 0.00 C ATOM 181 C GLY A 17 15.452 5.087 -27.912 1.00 0.00 C ATOM 182 O GLY A 17 15.012 4.940 -29.053 1.00 0.00 O ATOM 0 H GLY A 17 18.306 5.715 -26.349 1.00 0.00 H new ATOM 0 HA2 GLY A 17 17.407 4.451 -28.506 1.00 0.00 H new ATOM 0 HA3 GLY A 17 16.955 3.963 -26.884 1.00 0.00 H new ATOM 186 N THR A 18 14.704 5.509 -26.898 1.00 0.00 N ATOM 187 CA THR A 18 13.293 5.829 -27.071 1.00 0.00 C ATOM 188 C THR A 18 13.097 7.312 -27.363 1.00 0.00 C ATOM 189 O THR A 18 13.592 8.170 -26.630 1.00 0.00 O ATOM 190 CB THR A 18 12.474 5.450 -25.822 1.00 0.00 C ATOM 191 OG1 THR A 18 11.076 5.625 -26.081 1.00 0.00 O ATOM 192 CG2 THR A 18 12.884 6.299 -24.628 1.00 0.00 C ATOM 0 H THR A 18 15.052 5.637 -25.948 1.00 0.00 H new ATOM 0 HA THR A 18 12.938 5.245 -27.920 1.00 0.00 H new ATOM 0 HB THR A 18 12.672 4.404 -25.589 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.562 5.380 -25.283 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.292 6.013 -23.758 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.941 6.141 -24.415 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.712 7.351 -24.854 1.00 0.00 H new ATOM 200 N LEU A 19 12.372 7.608 -28.435 1.00 0.00 N ATOM 201 CA LEU A 19 12.109 8.990 -28.824 1.00 0.00 C ATOM 202 C LEU A 19 10.717 9.426 -28.378 1.00 0.00 C ATOM 203 O LEU A 19 9.726 8.751 -28.653 1.00 0.00 O ATOM 204 CB LEU A 19 12.244 9.148 -30.339 1.00 0.00 C ATOM 205 CG LEU A 19 13.664 9.052 -30.901 1.00 0.00 C ATOM 206 CD1 LEU A 19 13.634 8.989 -32.420 1.00 0.00 C ATOM 207 CD2 LEU A 19 14.503 10.231 -30.431 1.00 0.00 C ATOM 0 H LEU A 19 11.955 6.910 -29.051 1.00 0.00 H new ATOM 0 HA LEU A 19 12.844 9.626 -28.331 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.632 8.385 -30.820 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.828 10.115 -30.622 1.00 0.00 H new ATOM 0 HG LEU A 19 14.121 8.135 -30.529 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.653 8.921 -32.802 1.00 0.00 H new ATOM 0 HD12 LEU A 19 13.069 8.113 -32.737 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.159 9.888 -32.812 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.510 10.147 -30.840 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.049 11.161 -30.774 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.552 10.231 -29.342 1.00 0.00 H new ATOM 219 N GLY A 20 10.651 10.561 -27.688 1.00 0.00 N ATOM 220 CA GLY A 20 9.376 11.069 -27.217 1.00 0.00 C ATOM 221 C GLY A 20 9.193 10.881 -25.724 1.00 0.00 C ATOM 222 O GLY A 20 8.726 11.784 -25.030 1.00 0.00 O ATOM 0 H GLY A 20 11.457 11.137 -27.447 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.299 12.129 -27.459 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.569 10.562 -27.746 1.00 0.00 H new ATOM 226 N PHE A 21 9.560 9.704 -25.229 1.00 0.00 N ATOM 227 CA PHE A 21 9.432 9.398 -23.808 1.00 0.00 C ATOM 228 C PHE A 21 10.642 9.906 -23.031 1.00 0.00 C ATOM 229 O PHE A 21 11.786 9.630 -23.391 1.00 0.00 O ATOM 230 CB PHE A 21 9.275 7.890 -23.601 1.00 0.00 C ATOM 231 CG PHE A 21 8.807 7.520 -22.223 1.00 0.00 C ATOM 232 CD1 PHE A 21 9.670 7.592 -21.142 1.00 0.00 C ATOM 233 CD2 PHE A 21 7.504 7.099 -22.009 1.00 0.00 C ATOM 234 CE1 PHE A 21 9.243 7.252 -19.872 1.00 0.00 C ATOM 235 CE2 PHE A 21 7.071 6.758 -20.742 1.00 0.00 C ATOM 236 CZ PHE A 21 7.942 6.834 -19.672 1.00 0.00 C ATOM 0 H PHE A 21 9.948 8.946 -25.790 1.00 0.00 H new ATOM 0 HA PHE A 21 8.543 9.904 -23.432 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.566 7.503 -24.333 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.231 7.403 -23.794 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.689 7.918 -21.293 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.819 7.037 -22.842 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.926 7.313 -19.037 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.053 6.432 -20.588 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.606 6.567 -18.681 1.00 0.00 H new ATOM 246 N GLY A 22 10.381 10.652 -21.962 1.00 0.00 N ATOM 247 CA GLY A 22 11.458 11.188 -21.150 1.00 0.00 C ATOM 248 C GLY A 22 11.032 12.404 -20.351 1.00 0.00 C ATOM 249 O GLY A 22 11.551 13.502 -20.554 1.00 0.00 O ATOM 0 H GLY A 22 9.443 10.895 -21.644 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.814 10.416 -20.468 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.296 11.455 -21.794 1.00 0.00 H new ATOM 253 N ASP A 23 10.085 12.209 -19.441 1.00 0.00 N ATOM 254 CA ASP A 23 9.588 13.299 -18.609 1.00 0.00 C ATOM 255 C ASP A 23 9.082 12.772 -17.269 1.00 0.00 C ATOM 256 O ASP A 23 8.585 11.650 -17.179 1.00 0.00 O ATOM 257 CB ASP A 23 8.470 14.052 -19.331 1.00 0.00 C ATOM 258 CG ASP A 23 8.748 14.222 -20.811 1.00 0.00 C ATOM 259 OD1 ASP A 23 9.639 15.025 -21.158 1.00 0.00 O ATOM 260 OD2 ASP A 23 8.075 13.553 -21.623 1.00 0.00 O ATOM 0 H ASP A 23 9.646 11.306 -19.260 1.00 0.00 H new ATOM 0 HA ASP A 23 10.414 13.985 -18.421 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.531 13.515 -19.200 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.342 15.033 -18.873 1.00 0.00 H new ATOM 265 N LYS A 24 9.212 13.591 -16.230 1.00 0.00 N ATOM 266 CA LYS A 24 8.768 13.209 -14.895 1.00 0.00 C ATOM 267 C LYS A 24 7.261 13.392 -14.750 1.00 0.00 C ATOM 268 O LYS A 24 6.724 13.352 -13.642 1.00 0.00 O ATOM 269 CB LYS A 24 9.498 14.038 -13.836 1.00 0.00 C ATOM 270 CG LYS A 24 10.928 13.589 -13.591 1.00 0.00 C ATOM 271 CD LYS A 24 11.850 14.026 -14.717 1.00 0.00 C ATOM 272 CE LYS A 24 13.211 13.354 -14.614 1.00 0.00 C ATOM 273 NZ LYS A 24 13.137 11.899 -14.923 1.00 0.00 N ATOM 0 H LYS A 24 9.621 14.523 -16.287 1.00 0.00 H new ATOM 0 HA LYS A 24 9.004 12.155 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.502 15.083 -14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.944 13.984 -12.899 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.284 14.002 -12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.958 12.504 -13.495 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.395 13.783 -15.677 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.974 15.109 -14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.907 13.836 -15.301 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.609 13.492 -13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.093 11.534 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.724 11.393 -14.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.542 11.752 -15.763 1.00 0.00 H new ATOM 287 N PHE A 25 6.582 13.593 -15.875 1.00 0.00 N ATOM 288 CA PHE A 25 5.137 13.782 -15.873 1.00 0.00 C ATOM 289 C PHE A 25 4.414 12.450 -16.057 1.00 0.00 C ATOM 290 O PHE A 25 3.454 12.148 -15.347 1.00 0.00 O ATOM 291 CB PHE A 25 4.726 14.755 -16.979 1.00 0.00 C ATOM 292 CG PHE A 25 5.228 16.154 -16.763 1.00 0.00 C ATOM 293 CD1 PHE A 25 6.572 16.454 -16.917 1.00 0.00 C ATOM 294 CD2 PHE A 25 4.355 17.170 -16.407 1.00 0.00 C ATOM 295 CE1 PHE A 25 7.036 17.740 -16.718 1.00 0.00 C ATOM 296 CE2 PHE A 25 4.814 18.458 -16.207 1.00 0.00 C ATOM 297 CZ PHE A 25 6.156 18.744 -16.364 1.00 0.00 C ATOM 0 H PHE A 25 7.010 13.629 -16.800 1.00 0.00 H new ATOM 0 HA PHE A 25 4.852 14.200 -14.907 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.101 14.386 -17.934 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.638 14.774 -17.049 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.265 15.674 -17.196 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.304 16.953 -16.285 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.086 17.960 -16.839 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.124 19.240 -15.928 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.517 19.750 -16.210 1.00 0.00 H new ATOM 307 N LYS A 26 4.881 11.658 -17.016 1.00 0.00 N ATOM 308 CA LYS A 26 4.282 10.359 -17.295 1.00 0.00 C ATOM 309 C LYS A 26 4.098 9.557 -16.011 1.00 0.00 C ATOM 310 O LYS A 26 3.031 8.993 -15.767 1.00 0.00 O ATOM 311 CB LYS A 26 5.152 9.574 -18.280 1.00 0.00 C ATOM 312 CG LYS A 26 4.369 8.593 -19.136 1.00 0.00 C ATOM 313 CD LYS A 26 3.617 9.302 -20.250 1.00 0.00 C ATOM 314 CE LYS A 26 2.364 8.538 -20.651 1.00 0.00 C ATOM 315 NZ LYS A 26 1.507 9.327 -21.579 1.00 0.00 N ATOM 0 H LYS A 26 5.673 11.894 -17.614 1.00 0.00 H new ATOM 0 HA LYS A 26 3.301 10.527 -17.740 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.673 10.276 -18.931 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.915 9.029 -17.724 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.051 7.859 -19.566 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.664 8.045 -18.511 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.344 10.306 -19.924 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.269 9.414 -21.116 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.648 7.600 -21.128 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.793 8.282 -19.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.664 8.772 -21.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.215 10.211 -21.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.043 9.550 -22.442 1.00 0.00 H new ATOM 329 N ARG A 27 5.145 9.510 -15.194 1.00 0.00 N ATOM 330 CA ARG A 27 5.099 8.777 -13.934 1.00 0.00 C ATOM 331 C ARG A 27 3.933 9.251 -13.071 1.00 0.00 C ATOM 332 O ARG A 27 3.438 10.370 -13.214 1.00 0.00 O ATOM 333 CB ARG A 27 6.414 8.948 -13.171 1.00 0.00 C ATOM 334 CG ARG A 27 7.547 8.092 -13.713 1.00 0.00 C ATOM 335 CD ARG A 27 8.838 8.324 -12.942 1.00 0.00 C ATOM 336 NE ARG A 27 10.006 7.839 -13.671 1.00 0.00 N ATOM 337 CZ ARG A 27 10.425 6.579 -13.634 1.00 0.00 C ATOM 338 NH1 ARG A 27 9.775 5.682 -12.906 1.00 0.00 N ATOM 339 NH2 ARG A 27 11.498 6.215 -14.326 1.00 0.00 N ATOM 0 H ARG A 27 6.035 9.971 -15.382 1.00 0.00 H new ATOM 0 HA ARG A 27 4.954 7.721 -14.163 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.712 9.996 -13.207 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.251 8.699 -12.122 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.270 7.039 -13.653 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.705 8.320 -14.767 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.953 9.389 -12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.779 7.821 -11.977 1.00 0.00 H new ATOM 0 HE ARG A 27 10.529 8.504 -14.240 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.951 5.959 -12.372 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.099 4.715 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.001 6.903 -14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.819 5.247 -14.297 1.00 0.00 H new ATOM 353 N PRO A 28 3.482 8.382 -12.155 1.00 0.00 N ATOM 354 CA PRO A 28 2.369 8.689 -11.252 1.00 0.00 C ATOM 355 C PRO A 28 2.740 9.742 -10.213 1.00 0.00 C ATOM 356 O PRO A 28 3.840 10.295 -10.242 1.00 0.00 O ATOM 357 CB PRO A 28 2.081 7.347 -10.574 1.00 0.00 C ATOM 358 CG PRO A 28 3.369 6.602 -10.647 1.00 0.00 C ATOM 359 CD PRO A 28 4.024 7.031 -11.931 1.00 0.00 C ATOM 0 HA PRO A 28 1.514 9.104 -11.785 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.762 7.486 -9.541 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.283 6.809 -11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.002 6.832 -9.790 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.198 5.526 -10.637 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.110 7.043 -11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.778 6.358 -12.752 1.00 0.00 H new ATOM 367 N ILE A 29 1.817 10.012 -9.296 1.00 0.00 N ATOM 368 CA ILE A 29 2.049 10.998 -8.247 1.00 0.00 C ATOM 369 C ILE A 29 2.554 10.334 -6.971 1.00 0.00 C ATOM 370 O ILE A 29 3.466 10.836 -6.316 1.00 0.00 O ATOM 371 CB ILE A 29 0.768 11.791 -7.928 1.00 0.00 C ATOM 372 CG1 ILE A 29 0.801 12.293 -6.483 1.00 0.00 C ATOM 373 CG2 ILE A 29 -0.463 10.929 -8.167 1.00 0.00 C ATOM 374 CD1 ILE A 29 0.102 13.621 -6.288 1.00 0.00 C ATOM 0 H ILE A 29 0.902 9.562 -9.258 1.00 0.00 H new ATOM 0 HA ILE A 29 2.808 11.685 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 29 0.717 12.654 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.335 11.548 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.839 12.388 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.360 11.504 -7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.491 10.615 -9.211 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.421 10.049 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.165 13.915 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.582 14.379 -6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.945 13.527 -6.576 1.00 0.00 H new ATOM 386 N GLY A 30 1.955 9.198 -6.624 1.00 0.00 N ATOM 387 CA GLY A 30 2.359 8.482 -5.428 1.00 0.00 C ATOM 388 C GLY A 30 1.516 7.247 -5.180 1.00 0.00 C ATOM 389 O GLY A 30 0.380 7.345 -4.717 1.00 0.00 O ATOM 0 H GLY A 30 1.198 8.761 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.406 8.192 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.286 9.147 -4.568 1.00 0.00 H new ATOM 393 N SER A 31 2.073 6.080 -5.489 1.00 0.00 N ATOM 394 CA SER A 31 1.362 4.821 -5.302 1.00 0.00 C ATOM 395 C SER A 31 2.339 3.682 -5.024 1.00 0.00 C ATOM 396 O SER A 31 3.555 3.875 -5.039 1.00 0.00 O ATOM 397 CB SER A 31 0.522 4.496 -6.538 1.00 0.00 C ATOM 398 OG SER A 31 -0.287 5.599 -6.910 1.00 0.00 O ATOM 0 H SER A 31 3.014 5.981 -5.870 1.00 0.00 H new ATOM 0 HA SER A 31 0.702 4.930 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.177 4.226 -7.366 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.109 3.630 -6.335 1.00 0.00 H new ATOM 0 HG SER A 31 -0.813 5.366 -7.703 1.00 0.00 H new ATOM 404 N TRP A 32 1.798 2.496 -4.771 1.00 0.00 N ATOM 405 CA TRP A 32 2.621 1.325 -4.489 1.00 0.00 C ATOM 406 C TRP A 32 2.127 0.112 -5.268 1.00 0.00 C ATOM 407 O TRP A 32 0.934 -0.190 -5.272 1.00 0.00 O ATOM 408 CB TRP A 32 2.616 1.021 -2.990 1.00 0.00 C ATOM 409 CG TRP A 32 1.238 0.937 -2.406 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.363 1.968 -2.218 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.578 -0.243 -1.933 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.801 1.501 -1.656 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.694 0.148 -1.473 1.00 0.00 C ATOM 414 CE3 TRP A 32 0.938 -1.591 -1.856 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.605 -0.762 -0.942 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.033 -2.493 -1.329 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.227 -2.076 -0.878 1.00 0.00 C ATOM 0 H TRP A 32 0.794 2.319 -4.755 1.00 0.00 H new ATOM 0 HA TRP A 32 3.641 1.545 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.135 0.078 -2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.178 1.795 -2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.557 2.999 -2.473 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.613 2.070 -1.414 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.906 -1.922 -2.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.576 -0.442 -0.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.301 -3.537 -1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.913 -2.805 -0.472 1.00 0.00 H new ATOM 428 N GLU A 33 3.051 -0.580 -5.927 1.00 0.00 N ATOM 429 CA GLU A 33 2.707 -1.761 -6.710 1.00 0.00 C ATOM 430 C GLU A 33 2.720 -3.014 -5.840 1.00 0.00 C ATOM 431 O GLU A 33 3.769 -3.431 -5.348 1.00 0.00 O ATOM 432 CB GLU A 33 3.681 -1.928 -7.878 1.00 0.00 C ATOM 433 CG GLU A 33 3.381 -3.132 -8.754 1.00 0.00 C ATOM 434 CD GLU A 33 4.057 -4.396 -8.260 1.00 0.00 C ATOM 435 OE1 GLU A 33 5.021 -4.284 -7.474 1.00 0.00 O ATOM 436 OE2 GLU A 33 3.622 -5.497 -8.658 1.00 0.00 O ATOM 0 H GLU A 33 4.043 -0.343 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 33 1.700 -1.623 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.656 -1.028 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.694 -2.019 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.303 -3.291 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.707 -2.925 -9.773 1.00 0.00 H new ATOM 443 N CYS A 34 1.547 -3.611 -5.654 1.00 0.00 N ATOM 444 CA CYS A 34 1.421 -4.815 -4.842 1.00 0.00 C ATOM 445 C CYS A 34 2.405 -5.887 -5.303 1.00 0.00 C ATOM 446 O CYS A 34 3.061 -5.739 -6.335 1.00 0.00 O ATOM 447 CB CYS A 34 -0.008 -5.356 -4.913 1.00 0.00 C ATOM 448 SG CYS A 34 -0.545 -6.236 -3.411 1.00 0.00 S ATOM 0 H CYS A 34 0.670 -3.280 -6.055 1.00 0.00 H new ATOM 0 HA CYS A 34 1.653 -4.553 -3.810 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.690 -4.527 -5.099 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.088 -6.031 -5.765 1.00 0.00 H new ATOM 453 N SER A 35 2.502 -6.965 -4.532 1.00 0.00 N ATOM 454 CA SER A 35 3.408 -8.060 -4.859 1.00 0.00 C ATOM 455 C SER A 35 2.633 -9.351 -5.107 1.00 0.00 C ATOM 456 O SER A 35 2.990 -10.146 -5.976 1.00 0.00 O ATOM 457 CB SER A 35 4.419 -8.268 -3.730 1.00 0.00 C ATOM 458 OG SER A 35 3.795 -8.810 -2.579 1.00 0.00 O ATOM 0 H SER A 35 1.964 -7.104 -3.676 1.00 0.00 H new ATOM 0 HA SER A 35 3.942 -7.796 -5.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.212 -8.936 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.889 -7.317 -3.479 1.00 0.00 H new ATOM 0 HG SER A 35 4.463 -8.935 -1.873 1.00 0.00 H new ATOM 464 N VAL A 36 1.569 -9.552 -4.336 1.00 0.00 N ATOM 465 CA VAL A 36 0.741 -10.745 -4.471 1.00 0.00 C ATOM 466 C VAL A 36 -0.123 -10.675 -5.725 1.00 0.00 C ATOM 467 O VAL A 36 -0.235 -11.649 -6.471 1.00 0.00 O ATOM 468 CB VAL A 36 -0.169 -10.938 -3.244 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.664 -11.181 -1.994 1.00 0.00 C ATOM 470 CG2 VAL A 36 -1.080 -9.734 -3.062 1.00 0.00 C ATOM 0 H VAL A 36 1.260 -8.904 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 36 1.420 -11.594 -4.548 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.794 -11.815 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.004 -11.315 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.270 -12.077 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.316 -10.325 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.716 -9.888 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.475 -8.839 -2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.702 -9.611 -3.948 1.00 0.00 H new ATOM 480 N CYS A 37 -0.732 -9.516 -5.953 1.00 0.00 N ATOM 481 CA CYS A 37 -1.587 -9.317 -7.117 1.00 0.00 C ATOM 482 C CYS A 37 -0.965 -8.315 -8.084 1.00 0.00 C ATOM 483 O CYS A 37 -1.358 -8.233 -9.249 1.00 0.00 O ATOM 484 CB CYS A 37 -2.971 -8.832 -6.682 1.00 0.00 C ATOM 485 SG CYS A 37 -3.002 -7.111 -6.085 1.00 0.00 S ATOM 0 H CYS A 37 -0.649 -8.700 -5.347 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.689 -10.274 -7.629 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.658 -8.926 -7.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.342 -9.486 -5.893 1.00 0.00 H new ATOM 490 N CYS A 38 0.008 -7.554 -7.594 1.00 0.00 N ATOM 491 CA CYS A 38 0.685 -6.556 -8.415 1.00 0.00 C ATOM 492 C CYS A 38 -0.320 -5.593 -9.039 1.00 0.00 C ATOM 493 O CYS A 38 -0.261 -5.307 -10.235 1.00 0.00 O ATOM 494 CB CYS A 38 1.505 -7.238 -9.510 1.00 0.00 C ATOM 495 SG CYS A 38 2.754 -8.389 -8.890 1.00 0.00 S ATOM 0 H CYS A 38 0.345 -7.609 -6.633 1.00 0.00 H new ATOM 0 HA CYS A 38 1.355 -5.986 -7.772 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.828 -7.776 -10.174 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.998 -6.473 -10.110 1.00 0.00 H new ATOM 0 HG CYS A 38 3.786 -7.722 -8.467 1.00 0.00 H new ATOM 501 N VAL A 39 -1.243 -5.096 -8.221 1.00 0.00 N ATOM 502 CA VAL A 39 -2.261 -4.166 -8.693 1.00 0.00 C ATOM 503 C VAL A 39 -2.020 -2.764 -8.145 1.00 0.00 C ATOM 504 O VAL A 39 -1.604 -2.597 -6.998 1.00 0.00 O ATOM 505 CB VAL A 39 -3.674 -4.628 -8.289 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.704 -3.566 -8.643 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.011 -5.953 -8.955 1.00 0.00 C ATOM 0 H VAL A 39 -1.306 -5.322 -7.228 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.191 -4.145 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.695 -4.775 -7.209 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.696 -3.910 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.470 -2.642 -8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.685 -3.385 -9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.013 -6.265 -8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.973 -5.836 -10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.289 -6.709 -8.646 1.00 0.00 H new ATOM 517 N SER A 40 -2.287 -1.757 -8.971 1.00 0.00 N ATOM 518 CA SER A 40 -2.096 -0.368 -8.571 1.00 0.00 C ATOM 519 C SER A 40 -2.971 -0.025 -7.369 1.00 0.00 C ATOM 520 O SER A 40 -4.147 -0.382 -7.321 1.00 0.00 O ATOM 521 CB SER A 40 -2.419 0.569 -9.735 1.00 0.00 C ATOM 522 OG SER A 40 -3.703 0.297 -10.269 1.00 0.00 O ATOM 0 H SER A 40 -2.636 -1.878 -9.922 1.00 0.00 H new ATOM 0 HA SER A 40 -1.052 -0.237 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.375 1.604 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.666 0.457 -10.515 1.00 0.00 H new ATOM 0 HG SER A 40 -3.886 0.911 -11.011 1.00 0.00 H new ATOM 528 N ASN A 41 -2.386 0.671 -6.399 1.00 0.00 N ATOM 529 CA ASN A 41 -3.111 1.063 -5.195 1.00 0.00 C ATOM 530 C ASN A 41 -2.887 2.539 -4.882 1.00 0.00 C ATOM 531 O ASN A 41 -2.142 3.226 -5.580 1.00 0.00 O ATOM 532 CB ASN A 41 -2.671 0.205 -4.008 1.00 0.00 C ATOM 533 CG ASN A 41 -2.353 -1.222 -4.411 1.00 0.00 C ATOM 534 OD1 ASN A 41 -3.350 -1.924 -4.938 1.00 0.00 O flip ATOM 535 ND2 ASN A 41 -1.225 -1.687 -4.251 1.00 0.00 N flip ATOM 0 H ASN A 41 -1.413 0.975 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.175 0.905 -5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.792 0.653 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.459 0.200 -3.255 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.489 -1.111 -3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.026 -2.648 -4.527 1.00 0.00 H new ATOM 542 N ASN A 42 -3.537 3.019 -3.827 1.00 0.00 N ATOM 543 CA ASN A 42 -3.408 4.414 -3.420 1.00 0.00 C ATOM 544 C ASN A 42 -2.468 4.549 -2.227 1.00 0.00 C ATOM 545 O ASN A 42 -2.734 4.014 -1.150 1.00 0.00 O ATOM 546 CB ASN A 42 -4.781 4.993 -3.070 1.00 0.00 C ATOM 547 CG ASN A 42 -5.870 4.503 -4.004 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.809 3.828 -3.581 1.00 0.00 O ATOM 549 ND2 ASN A 42 -5.750 4.841 -5.283 1.00 0.00 N ATOM 0 H ASN A 42 -4.158 2.463 -3.239 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.987 4.973 -4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.036 4.722 -2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.734 6.081 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.453 4.540 -5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.955 5.402 -5.590 1.00 0.00 H new ATOM 556 N ALA A 43 -1.367 5.267 -2.425 1.00 0.00 N ATOM 557 CA ALA A 43 -0.389 5.474 -1.365 1.00 0.00 C ATOM 558 C ALA A 43 -1.070 5.615 -0.008 1.00 0.00 C ATOM 559 O ALA A 43 -0.524 5.207 1.016 1.00 0.00 O ATOM 560 CB ALA A 43 0.459 6.702 -1.662 1.00 0.00 C ATOM 0 H ALA A 43 -1.130 5.715 -3.310 1.00 0.00 H new ATOM 0 HA ALA A 43 0.259 4.598 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.185 6.845 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.983 6.562 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.183 7.580 -1.730 1.00 0.00 H new ATOM 566 N GLU A 44 -2.266 6.196 -0.010 1.00 0.00 N ATOM 567 CA GLU A 44 -3.021 6.392 1.222 1.00 0.00 C ATOM 568 C GLU A 44 -3.492 5.056 1.790 1.00 0.00 C ATOM 569 O GLU A 44 -3.324 4.780 2.978 1.00 0.00 O ATOM 570 CB GLU A 44 -4.223 7.304 0.971 1.00 0.00 C ATOM 571 CG GLU A 44 -3.844 8.686 0.466 1.00 0.00 C ATOM 572 CD GLU A 44 -3.368 8.671 -0.974 1.00 0.00 C ATOM 573 OE1 GLU A 44 -4.207 8.457 -1.874 1.00 0.00 O ATOM 574 OE2 GLU A 44 -2.157 8.874 -1.200 1.00 0.00 O ATOM 0 H GLU A 44 -2.732 6.539 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.362 6.865 1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.883 6.829 0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.789 7.407 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.705 9.349 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.059 9.098 1.100 1.00 0.00 H new ATOM 581 N ASP A 45 -4.083 4.231 0.933 1.00 0.00 N ATOM 582 CA ASP A 45 -4.578 2.923 1.347 1.00 0.00 C ATOM 583 C ASP A 45 -3.443 2.057 1.883 1.00 0.00 C ATOM 584 O ASP A 45 -2.585 1.603 1.126 1.00 0.00 O ATOM 585 CB ASP A 45 -5.265 2.219 0.176 1.00 0.00 C ATOM 586 CG ASP A 45 -6.578 2.875 -0.205 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.616 4.120 -0.290 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.567 2.143 -0.416 1.00 0.00 O ATOM 0 H ASP A 45 -4.231 4.445 -0.053 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.304 3.073 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.598 2.220 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.446 1.177 0.438 1.00 0.00 H new ATOM 593 N ASN A 46 -3.444 1.832 3.193 1.00 0.00 N ATOM 594 CA ASN A 46 -2.412 1.021 3.830 1.00 0.00 C ATOM 595 C ASN A 46 -2.497 -0.430 3.366 1.00 0.00 C ATOM 596 O ASN A 46 -1.542 -1.194 3.503 1.00 0.00 O ATOM 597 CB ASN A 46 -2.548 1.091 5.353 1.00 0.00 C ATOM 598 CG ASN A 46 -2.116 2.433 5.911 1.00 0.00 C ATOM 599 OD1 ASN A 46 -2.918 3.361 6.018 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.842 2.541 6.271 1.00 0.00 N ATOM 0 H ASN A 46 -4.147 2.199 3.834 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.440 1.420 3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.585 0.902 5.632 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.947 0.302 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.493 3.420 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.213 1.745 6.164 1.00 0.00 H new ATOM 607 N LYS A 47 -3.648 -0.803 2.817 1.00 0.00 N ATOM 608 CA LYS A 47 -3.859 -2.161 2.330 1.00 0.00 C ATOM 609 C LYS A 47 -4.335 -2.152 0.881 1.00 0.00 C ATOM 610 O LYS A 47 -4.739 -1.114 0.356 1.00 0.00 O ATOM 611 CB LYS A 47 -4.880 -2.887 3.209 1.00 0.00 C ATOM 612 CG LYS A 47 -4.255 -3.643 4.369 1.00 0.00 C ATOM 613 CD LYS A 47 -5.303 -4.394 5.174 1.00 0.00 C ATOM 614 CE LYS A 47 -6.313 -3.444 5.797 1.00 0.00 C ATOM 615 NZ LYS A 47 -7.246 -4.151 6.718 1.00 0.00 N ATOM 0 H LYS A 47 -4.449 -0.183 2.698 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.907 -2.689 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.591 -2.160 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.445 -3.586 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.514 -4.346 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.728 -2.944 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.820 -5.104 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.815 -4.973 5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.786 -2.662 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.884 -2.953 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.919 -3.468 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.767 -4.881 6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.704 -4.598 7.485 1.00 0.00 H new ATOM 629 N CYS A 48 -4.288 -3.315 0.240 1.00 0.00 N ATOM 630 CA CYS A 48 -4.715 -3.442 -1.148 1.00 0.00 C ATOM 631 C CYS A 48 -6.238 -3.437 -1.251 1.00 0.00 C ATOM 632 O CYS A 48 -6.939 -3.418 -0.239 1.00 0.00 O ATOM 633 CB CYS A 48 -4.156 -4.727 -1.760 1.00 0.00 C ATOM 634 SG CYS A 48 -3.846 -4.624 -3.553 1.00 0.00 S ATOM 0 H CYS A 48 -3.958 -4.184 0.660 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.328 -2.586 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.224 -4.982 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.855 -5.541 -1.569 1.00 0.00 H new ATOM 639 N VAL A 49 -6.743 -3.455 -2.480 1.00 0.00 N ATOM 640 CA VAL A 49 -8.181 -3.455 -2.716 1.00 0.00 C ATOM 641 C VAL A 49 -8.623 -4.732 -3.421 1.00 0.00 C ATOM 642 O VAL A 49 -9.712 -5.248 -3.169 1.00 0.00 O ATOM 643 CB VAL A 49 -8.611 -2.241 -3.561 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.249 -0.943 -2.854 1.00 0.00 C ATOM 645 CG2 VAL A 49 -7.976 -2.301 -4.941 1.00 0.00 C ATOM 0 H VAL A 49 -6.177 -3.470 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.661 -3.398 -1.739 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.694 -2.270 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.560 -0.096 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.756 -0.900 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.171 -0.902 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.291 -1.436 -5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.890 -2.297 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.291 -3.214 -5.447 1.00 0.00 H new ATOM 655 N SER A 50 -7.770 -5.238 -4.306 1.00 0.00 N ATOM 656 CA SER A 50 -8.074 -6.455 -5.051 1.00 0.00 C ATOM 657 C SER A 50 -7.810 -7.693 -4.200 1.00 0.00 C ATOM 658 O SER A 50 -8.579 -8.655 -4.227 1.00 0.00 O ATOM 659 CB SER A 50 -7.240 -6.515 -6.332 1.00 0.00 C ATOM 660 OG SER A 50 -7.688 -7.555 -7.184 1.00 0.00 O ATOM 0 H SER A 50 -6.864 -4.825 -4.525 1.00 0.00 H new ATOM 0 HA SER A 50 -9.131 -6.436 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.302 -5.561 -6.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.191 -6.673 -6.080 1.00 0.00 H new ATOM 0 HG SER A 50 -7.140 -7.571 -7.996 1.00 0.00 H new ATOM 666 N CYS A 51 -6.717 -7.662 -3.445 1.00 0.00 N ATOM 667 CA CYS A 51 -6.349 -8.781 -2.586 1.00 0.00 C ATOM 668 C CYS A 51 -6.419 -8.382 -1.114 1.00 0.00 C ATOM 669 O CYS A 51 -6.371 -9.234 -0.227 1.00 0.00 O ATOM 670 CB CYS A 51 -4.940 -9.271 -2.926 1.00 0.00 C ATOM 671 SG CYS A 51 -3.614 -8.131 -2.416 1.00 0.00 S ATOM 0 H CYS A 51 -6.071 -6.874 -3.411 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.059 -9.589 -2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.778 -10.237 -2.448 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.872 -9.432 -4.002 1.00 0.00 H new ATOM 676 N MET A 52 -6.534 -7.082 -0.864 1.00 0.00 N ATOM 677 CA MET A 52 -6.613 -6.571 0.499 1.00 0.00 C ATOM 678 C MET A 52 -5.422 -7.044 1.327 1.00 0.00 C ATOM 679 O MET A 52 -5.586 -7.529 2.447 1.00 0.00 O ATOM 680 CB MET A 52 -7.918 -7.018 1.160 1.00 0.00 C ATOM 681 CG MET A 52 -9.139 -6.256 0.671 1.00 0.00 C ATOM 682 SD MET A 52 -10.680 -7.141 0.980 1.00 0.00 S ATOM 683 CE MET A 52 -10.566 -8.453 -0.234 1.00 0.00 C ATOM 0 H MET A 52 -6.575 -6.364 -1.587 1.00 0.00 H new ATOM 0 HA MET A 52 -6.592 -5.482 0.453 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.065 -8.082 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.830 -6.893 2.239 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.177 -5.284 1.164 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.041 -6.068 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.556 -8.874 -0.408 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.173 -8.051 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.900 -9.233 0.135 1.00 0.00 H new ATOM 693 N SER A 53 -4.224 -6.900 0.769 1.00 0.00 N ATOM 694 CA SER A 53 -3.007 -7.317 1.454 1.00 0.00 C ATOM 695 C SER A 53 -2.272 -6.114 2.036 1.00 0.00 C ATOM 696 O SER A 53 -2.318 -5.017 1.481 1.00 0.00 O ATOM 697 CB SER A 53 -2.088 -8.074 0.492 1.00 0.00 C ATOM 698 OG SER A 53 -0.864 -8.415 1.118 1.00 0.00 O ATOM 0 H SER A 53 -4.071 -6.498 -0.156 1.00 0.00 H new ATOM 0 HA SER A 53 -3.289 -7.979 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.587 -8.979 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.892 -7.460 -0.387 1.00 0.00 H new ATOM 0 HG SER A 53 -0.296 -8.899 0.483 1.00 0.00 H new ATOM 704 N GLU A 54 -1.594 -6.329 3.160 1.00 0.00 N ATOM 705 CA GLU A 54 -0.850 -5.262 3.818 1.00 0.00 C ATOM 706 C GLU A 54 0.156 -4.629 2.861 1.00 0.00 C ATOM 707 O GLU A 54 0.890 -5.328 2.162 1.00 0.00 O ATOM 708 CB GLU A 54 -0.125 -5.802 5.053 1.00 0.00 C ATOM 709 CG GLU A 54 0.697 -7.050 4.779 1.00 0.00 C ATOM 710 CD GLU A 54 0.880 -7.911 6.014 1.00 0.00 C ATOM 711 OE1 GLU A 54 0.906 -7.349 7.129 1.00 0.00 O ATOM 712 OE2 GLU A 54 0.998 -9.145 5.865 1.00 0.00 O ATOM 0 H GLU A 54 -1.545 -7.231 3.633 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.561 -4.497 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.530 -5.025 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.860 -6.024 5.827 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.210 -7.637 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.675 -6.759 4.395 1.00 0.00 H new ATOM 719 N LYS A 55 0.184 -3.301 2.834 1.00 0.00 N ATOM 720 CA LYS A 55 1.099 -2.572 1.964 1.00 0.00 C ATOM 721 C LYS A 55 2.541 -2.739 2.429 1.00 0.00 C ATOM 722 O LYS A 55 2.859 -2.592 3.610 1.00 0.00 O ATOM 723 CB LYS A 55 0.730 -1.087 1.932 1.00 0.00 C ATOM 724 CG LYS A 55 1.744 -0.224 1.201 1.00 0.00 C ATOM 725 CD LYS A 55 1.283 1.221 1.109 1.00 0.00 C ATOM 726 CE LYS A 55 2.461 2.174 0.968 1.00 0.00 C ATOM 727 NZ LYS A 55 3.311 2.189 2.190 1.00 0.00 N ATOM 0 H LYS A 55 -0.417 -2.707 3.405 1.00 0.00 H new ATOM 0 HA LYS A 55 1.011 -2.984 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.243 -0.973 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.627 -0.725 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.702 -0.269 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.905 -0.620 0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.615 1.337 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.710 1.479 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.065 1.881 0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.092 3.180 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.830 3.089 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.710 2.088 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.988 1.401 2.151 1.00 0.00 H new ATOM 741 N PRO A 56 3.438 -3.051 1.482 1.00 0.00 N ATOM 742 CA PRO A 56 4.862 -3.242 1.771 1.00 0.00 C ATOM 743 C PRO A 56 5.559 -1.937 2.138 1.00 0.00 C ATOM 744 O PRO A 56 5.102 -0.854 1.776 1.00 0.00 O ATOM 745 CB PRO A 56 5.420 -3.795 0.457 1.00 0.00 C ATOM 746 CG PRO A 56 4.487 -3.295 -0.591 1.00 0.00 C ATOM 747 CD PRO A 56 3.130 -3.241 0.054 1.00 0.00 C ATOM 0 HA PRO A 56 5.019 -3.899 2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.437 -3.446 0.281 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.455 -4.884 0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.790 -2.310 -0.945 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.481 -3.957 -1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.530 -2.421 -0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.567 -4.159 -0.117 1.00 0.00 H new ATOM 755 N GLY A 57 6.670 -2.047 2.860 1.00 0.00 N ATOM 756 CA GLY A 57 7.413 -0.868 3.264 1.00 0.00 C ATOM 757 C GLY A 57 6.703 -0.078 4.346 1.00 0.00 C ATOM 758 O GLY A 57 6.371 -0.649 5.384 1.00 0.00 O ATOM 0 H GLY A 57 7.069 -2.932 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.397 -1.168 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.573 -0.228 2.396 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.760 -6.681 -3.899 1.00 0.00 ZN