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 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 6 SER OG : rot 180:sc=-0.00632 USER MOD Single : A 8 SER OG : rot 49:sc= 1.15 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 -53:sc= 0.021 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.248 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+ 143:sc= 0.0386 (180deg=-0.00129) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 31:sc= 0.0577 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -7.28! C(o=-7.3!,f=-5!) USER MOD Single : A 42 ASN : amide:sc= -0.662 K(o=-0.66,f=-0.02) 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 -160:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -99:sc= 0.846 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.0782 (180deg=0.0779) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 44.494 -21.791 1.761 1.00 0.00 N ATOM 2 CA GLY A 1 43.929 -20.597 1.159 1.00 0.00 C ATOM 3 C GLY A 1 42.951 -20.917 0.047 1.00 0.00 C ATOM 4 O GLY A 1 41.749 -21.041 0.284 1.00 0.00 O ATOM 0 H1 GLY A 1 45.156 -21.519 2.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.731 -22.372 2.163 1.00 0.00 H new ATOM 0 H3 GLY A 1 45.001 -22.339 1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 43.423 -20.011 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.734 -19.977 0.764 1.00 0.00 H new ATOM 8 N SER A 2 43.465 -21.049 -1.172 1.00 0.00 N ATOM 9 CA SER A 2 42.627 -21.350 -2.327 1.00 0.00 C ATOM 10 C SER A 2 42.498 -22.857 -2.526 1.00 0.00 C ATOM 11 O SER A 2 43.436 -23.519 -2.969 1.00 0.00 O ATOM 12 CB SER A 2 43.208 -20.706 -3.587 1.00 0.00 C ATOM 13 OG SER A 2 43.095 -19.294 -3.536 1.00 0.00 O ATOM 0 H SER A 2 44.458 -20.952 -1.385 1.00 0.00 H new ATOM 0 HA SER A 2 41.635 -20.939 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 2 44.256 -20.987 -3.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 42.687 -21.084 -4.466 1.00 0.00 H new ATOM 0 HG SER A 2 43.475 -18.906 -4.352 1.00 0.00 H new ATOM 19 N SER A 3 41.328 -23.394 -2.194 1.00 0.00 N ATOM 20 CA SER A 3 41.075 -24.823 -2.332 1.00 0.00 C ATOM 21 C SER A 3 39.693 -25.076 -2.925 1.00 0.00 C ATOM 22 O SER A 3 38.726 -24.396 -2.586 1.00 0.00 O ATOM 23 CB SER A 3 41.195 -25.517 -0.974 1.00 0.00 C ATOM 24 OG SER A 3 40.827 -26.882 -1.064 1.00 0.00 O ATOM 0 H SER A 3 40.540 -22.860 -1.827 1.00 0.00 H new ATOM 0 HA SER A 3 41.822 -25.235 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 42.219 -25.437 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 40.558 -25.013 -0.247 1.00 0.00 H new ATOM 0 HG SER A 3 40.914 -27.303 -0.183 1.00 0.00 H new ATOM 30 N GLY A 4 39.608 -26.061 -3.814 1.00 0.00 N ATOM 31 CA GLY A 4 38.341 -26.388 -4.441 1.00 0.00 C ATOM 32 C GLY A 4 37.498 -27.321 -3.595 1.00 0.00 C ATOM 33 O GLY A 4 37.665 -28.539 -3.648 1.00 0.00 O ATOM 0 H GLY A 4 40.395 -26.638 -4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.784 -25.470 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 38.528 -26.851 -5.410 1.00 0.00 H new ATOM 37 N SER A 5 36.591 -26.748 -2.810 1.00 0.00 N ATOM 38 CA SER A 5 35.723 -27.537 -1.944 1.00 0.00 C ATOM 39 C SER A 5 34.535 -28.091 -2.724 1.00 0.00 C ATOM 40 O SER A 5 33.550 -28.542 -2.140 1.00 0.00 O ATOM 41 CB SER A 5 35.226 -26.686 -0.773 1.00 0.00 C ATOM 42 OG SER A 5 34.272 -25.731 -1.205 1.00 0.00 O ATOM 0 H SER A 5 36.438 -25.741 -2.756 1.00 0.00 H new ATOM 0 HA SER A 5 36.303 -28.374 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.782 -27.330 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 5 36.069 -26.177 -0.306 1.00 0.00 H new ATOM 0 HG SER A 5 33.969 -25.201 -0.438 1.00 0.00 H new ATOM 48 N SER A 6 34.636 -28.053 -4.049 1.00 0.00 N ATOM 49 CA SER A 6 33.569 -28.548 -4.912 1.00 0.00 C ATOM 50 C SER A 6 34.121 -28.974 -6.269 1.00 0.00 C ATOM 51 O SER A 6 35.244 -28.625 -6.632 1.00 0.00 O ATOM 52 CB SER A 6 32.497 -27.472 -5.100 1.00 0.00 C ATOM 53 OG SER A 6 31.342 -28.007 -5.722 1.00 0.00 O ATOM 0 H SER A 6 35.446 -27.685 -4.548 1.00 0.00 H new ATOM 0 HA SER A 6 33.121 -29.418 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 6 32.229 -27.048 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.896 -26.658 -5.705 1.00 0.00 H new ATOM 0 HG SER A 6 30.671 -27.301 -5.829 1.00 0.00 H new ATOM 59 N GLY A 7 33.322 -29.732 -7.014 1.00 0.00 N ATOM 60 CA GLY A 7 33.747 -30.194 -8.322 1.00 0.00 C ATOM 61 C GLY A 7 34.413 -29.102 -9.135 1.00 0.00 C ATOM 62 O GLY A 7 35.615 -28.870 -9.009 1.00 0.00 O ATOM 0 H GLY A 7 32.389 -30.034 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 7 34.440 -31.027 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 32.883 -30.574 -8.868 1.00 0.00 H new ATOM 66 N SER A 8 33.630 -28.430 -9.974 1.00 0.00 N ATOM 67 CA SER A 8 34.152 -27.360 -10.816 1.00 0.00 C ATOM 68 C SER A 8 33.016 -26.537 -11.415 1.00 0.00 C ATOM 69 O SER A 8 31.842 -26.863 -11.244 1.00 0.00 O ATOM 70 CB SER A 8 35.022 -27.939 -11.933 1.00 0.00 C ATOM 71 OG SER A 8 36.345 -28.171 -11.482 1.00 0.00 O ATOM 0 H SER A 8 32.632 -28.608 -10.088 1.00 0.00 H new ATOM 0 HA SER A 8 34.762 -26.706 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 8 34.587 -28.873 -12.290 1.00 0.00 H new ATOM 0 HB3 SER A 8 35.038 -27.252 -12.779 1.00 0.00 H new ATOM 0 HG SER A 8 36.320 -28.660 -10.633 1.00 0.00 H new ATOM 77 N SER A 9 33.376 -25.468 -12.118 1.00 0.00 N ATOM 78 CA SER A 9 32.387 -24.594 -12.740 1.00 0.00 C ATOM 79 C SER A 9 32.711 -24.371 -14.214 1.00 0.00 C ATOM 80 O SER A 9 33.817 -23.957 -14.563 1.00 0.00 O ATOM 81 CB SER A 9 32.331 -23.251 -12.010 1.00 0.00 C ATOM 82 OG SER A 9 31.479 -22.340 -12.682 1.00 0.00 O ATOM 0 H SER A 9 34.344 -25.186 -12.271 1.00 0.00 H new ATOM 0 HA SER A 9 31.413 -25.079 -12.669 1.00 0.00 H new ATOM 0 HB2 SER A 9 31.975 -23.402 -10.991 1.00 0.00 H new ATOM 0 HB3 SER A 9 33.334 -22.830 -11.938 1.00 0.00 H new ATOM 0 HG SER A 9 31.459 -21.490 -12.194 1.00 0.00 H new ATOM 88 N SER A 10 31.738 -24.649 -15.076 1.00 0.00 N ATOM 89 CA SER A 10 31.919 -24.482 -16.513 1.00 0.00 C ATOM 90 C SER A 10 31.482 -23.090 -16.958 1.00 0.00 C ATOM 91 O SER A 10 32.200 -22.406 -17.687 1.00 0.00 O ATOM 92 CB SER A 10 31.125 -25.546 -17.275 1.00 0.00 C ATOM 93 OG SER A 10 31.639 -26.842 -17.025 1.00 0.00 O ATOM 0 H SER A 10 30.816 -24.991 -14.804 1.00 0.00 H new ATOM 0 HA SER A 10 32.979 -24.599 -16.737 1.00 0.00 H new ATOM 0 HB2 SER A 10 30.077 -25.504 -16.979 1.00 0.00 H new ATOM 0 HB3 SER A 10 31.163 -25.336 -18.344 1.00 0.00 H new ATOM 0 HG SER A 10 31.114 -27.504 -17.522 1.00 0.00 H new ATOM 99 N SER A 11 30.300 -22.677 -16.513 1.00 0.00 N ATOM 100 CA SER A 11 29.765 -21.368 -16.868 1.00 0.00 C ATOM 101 C SER A 11 29.576 -21.248 -18.377 1.00 0.00 C ATOM 102 O SER A 11 29.888 -20.217 -18.973 1.00 0.00 O ATOM 103 CB SER A 11 30.696 -20.260 -16.370 1.00 0.00 C ATOM 104 OG SER A 11 30.013 -19.021 -16.282 1.00 0.00 O ATOM 0 H SER A 11 29.695 -23.230 -15.906 1.00 0.00 H new ATOM 0 HA SER A 11 28.792 -21.259 -16.388 1.00 0.00 H new ATOM 0 HB2 SER A 11 31.096 -20.529 -15.392 1.00 0.00 H new ATOM 0 HB3 SER A 11 31.546 -20.163 -17.046 1.00 0.00 H new ATOM 0 HG SER A 11 29.585 -18.822 -17.141 1.00 0.00 H new ATOM 110 N CYS A 12 29.064 -22.311 -18.989 1.00 0.00 N ATOM 111 CA CYS A 12 28.834 -22.327 -20.429 1.00 0.00 C ATOM 112 C CYS A 12 27.347 -22.198 -20.743 1.00 0.00 C ATOM 113 O CYS A 12 26.960 -21.542 -21.711 1.00 0.00 O ATOM 114 CB CYS A 12 29.387 -23.616 -21.040 1.00 0.00 C ATOM 115 SG CYS A 12 28.667 -25.126 -20.355 1.00 0.00 S ATOM 0 H CYS A 12 28.801 -23.172 -18.510 1.00 0.00 H new ATOM 0 HA CYS A 12 29.354 -21.474 -20.865 1.00 0.00 H new ATOM 0 HB2 CYS A 12 29.213 -23.599 -22.116 1.00 0.00 H new ATOM 0 HB3 CYS A 12 30.467 -23.642 -20.892 1.00 0.00 H new ATOM 0 HG CYS A 12 29.196 -26.161 -20.936 1.00 0.00 H new ATOM 121 N THR A 13 26.516 -22.831 -19.920 1.00 0.00 N ATOM 122 CA THR A 13 25.072 -22.790 -20.112 1.00 0.00 C ATOM 123 C THR A 13 24.545 -21.363 -20.015 1.00 0.00 C ATOM 124 O THR A 13 24.924 -20.610 -19.118 1.00 0.00 O ATOM 125 CB THR A 13 24.343 -23.666 -19.076 1.00 0.00 C ATOM 126 OG1 THR A 13 24.607 -23.184 -17.754 1.00 0.00 O ATOM 127 CG2 THR A 13 24.783 -25.118 -19.190 1.00 0.00 C ATOM 0 H THR A 13 26.819 -23.378 -19.114 1.00 0.00 H new ATOM 0 HA THR A 13 24.874 -23.180 -21.110 1.00 0.00 H new ATOM 0 HB THR A 13 23.273 -23.611 -19.275 1.00 0.00 H new ATOM 0 HG1 THR A 13 24.138 -23.745 -17.101 1.00 0.00 H new ATOM 0 HG21 THR A 13 24.255 -25.718 -18.449 1.00 0.00 H new ATOM 0 HG22 THR A 13 24.553 -25.491 -20.188 1.00 0.00 H new ATOM 0 HG23 THR A 13 25.857 -25.188 -19.015 1.00 0.00 H new ATOM 135 N VAL A 14 23.668 -20.996 -20.944 1.00 0.00 N ATOM 136 CA VAL A 14 23.087 -19.659 -20.962 1.00 0.00 C ATOM 137 C VAL A 14 21.768 -19.623 -20.198 1.00 0.00 C ATOM 138 O VAL A 14 20.827 -20.345 -20.526 1.00 0.00 O ATOM 139 CB VAL A 14 22.846 -19.171 -22.403 1.00 0.00 C ATOM 140 CG1 VAL A 14 22.204 -17.792 -22.399 1.00 0.00 C ATOM 141 CG2 VAL A 14 24.150 -19.159 -23.185 1.00 0.00 C ATOM 0 H VAL A 14 23.344 -21.606 -21.694 1.00 0.00 H new ATOM 0 HA VAL A 14 23.803 -18.996 -20.477 1.00 0.00 H new ATOM 0 HB VAL A 14 22.161 -19.863 -22.893 1.00 0.00 H new ATOM 0 HG11 VAL A 14 22.041 -17.463 -23.425 1.00 0.00 H new ATOM 0 HG12 VAL A 14 21.248 -17.837 -21.877 1.00 0.00 H new ATOM 0 HG13 VAL A 14 22.862 -17.086 -21.892 1.00 0.00 H new ATOM 0 HG21 VAL A 14 23.962 -18.812 -24.201 1.00 0.00 H new ATOM 0 HG22 VAL A 14 24.860 -18.490 -22.698 1.00 0.00 H new ATOM 0 HG23 VAL A 14 24.564 -20.167 -23.217 1.00 0.00 H new ATOM 151 N THR A 15 21.707 -18.775 -19.175 1.00 0.00 N ATOM 152 CA THR A 15 20.504 -18.644 -18.362 1.00 0.00 C ATOM 153 C THR A 15 19.580 -17.567 -18.918 1.00 0.00 C ATOM 154 O THR A 15 19.988 -16.421 -19.110 1.00 0.00 O ATOM 155 CB THR A 15 20.848 -18.305 -16.900 1.00 0.00 C ATOM 156 OG1 THR A 15 19.652 -18.001 -16.173 1.00 0.00 O ATOM 157 CG2 THR A 15 21.804 -17.124 -16.829 1.00 0.00 C ATOM 0 H THR A 15 22.477 -18.169 -18.890 1.00 0.00 H new ATOM 0 HA THR A 15 19.995 -19.607 -18.393 1.00 0.00 H new ATOM 0 HB THR A 15 21.334 -19.173 -16.454 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.879 -17.788 -15.244 1.00 0.00 H new ATOM 0 HG21 THR A 15 22.033 -16.903 -15.786 1.00 0.00 H new ATOM 0 HG22 THR A 15 22.725 -17.369 -17.358 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.341 -16.252 -17.291 1.00 0.00 H new ATOM 165 N THR A 16 18.330 -17.941 -19.175 1.00 0.00 N ATOM 166 CA THR A 16 17.347 -17.006 -19.709 1.00 0.00 C ATOM 167 C THR A 16 16.228 -16.752 -18.707 1.00 0.00 C ATOM 168 O THR A 16 16.064 -17.498 -17.742 1.00 0.00 O ATOM 169 CB THR A 16 16.735 -17.525 -21.024 1.00 0.00 C ATOM 170 OG1 THR A 16 16.128 -18.805 -20.811 1.00 0.00 O ATOM 171 CG2 THR A 16 17.797 -17.637 -22.108 1.00 0.00 C ATOM 0 H THR A 16 17.975 -18.885 -19.022 1.00 0.00 H new ATOM 0 HA THR A 16 17.874 -16.072 -19.905 1.00 0.00 H new ATOM 0 HB THR A 16 15.977 -16.813 -21.351 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.740 -19.127 -21.651 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.341 -18.005 -23.027 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.237 -16.656 -22.289 1.00 0.00 H new ATOM 0 HG23 THR A 16 18.574 -18.330 -21.786 1.00 0.00 H new ATOM 179 N GLY A 17 15.457 -15.694 -18.941 1.00 0.00 N ATOM 180 CA GLY A 17 14.362 -15.362 -18.050 1.00 0.00 C ATOM 181 C GLY A 17 13.024 -15.332 -18.761 1.00 0.00 C ATOM 182 O GLY A 17 12.556 -16.354 -19.264 1.00 0.00 O ATOM 0 H GLY A 17 15.572 -15.061 -19.733 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.323 -16.090 -17.240 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.550 -14.389 -17.595 1.00 0.00 H new ATOM 186 N THR A 18 12.404 -14.156 -18.803 1.00 0.00 N ATOM 187 CA THR A 18 11.110 -13.997 -19.455 1.00 0.00 C ATOM 188 C THR A 18 11.211 -13.064 -20.656 1.00 0.00 C ATOM 189 O THR A 18 11.735 -11.954 -20.550 1.00 0.00 O ATOM 190 CB THR A 18 10.053 -13.448 -18.479 1.00 0.00 C ATOM 191 OG1 THR A 18 8.764 -13.445 -19.104 1.00 0.00 O ATOM 192 CG2 THR A 18 10.409 -12.039 -18.033 1.00 0.00 C ATOM 0 H THR A 18 12.778 -13.300 -18.393 1.00 0.00 H new ATOM 0 HA THR A 18 10.802 -14.987 -19.792 1.00 0.00 H new ATOM 0 HB THR A 18 10.030 -14.095 -17.602 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.097 -13.096 -18.476 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.648 -11.672 -17.344 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.377 -12.050 -17.532 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.458 -11.383 -18.903 1.00 0.00 H new ATOM 200 N LEU A 19 10.705 -13.518 -21.797 1.00 0.00 N ATOM 201 CA LEU A 19 10.736 -12.722 -23.019 1.00 0.00 C ATOM 202 C LEU A 19 10.109 -11.350 -22.792 1.00 0.00 C ATOM 203 O LEU A 19 10.634 -10.334 -23.245 1.00 0.00 O ATOM 204 CB LEU A 19 10.002 -13.451 -24.145 1.00 0.00 C ATOM 205 CG LEU A 19 10.566 -14.817 -24.540 1.00 0.00 C ATOM 206 CD1 LEU A 19 9.477 -15.688 -25.148 1.00 0.00 C ATOM 207 CD2 LEU A 19 11.725 -14.654 -25.512 1.00 0.00 C ATOM 0 H LEU A 19 10.268 -14.434 -21.902 1.00 0.00 H new ATOM 0 HA LEU A 19 11.778 -12.581 -23.305 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.961 -13.582 -23.848 1.00 0.00 H new ATOM 0 HB3 LEU A 19 10.004 -12.811 -25.027 1.00 0.00 H new ATOM 0 HG LEU A 19 10.938 -15.309 -23.641 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.896 -16.656 -25.423 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.678 -15.832 -24.421 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.075 -15.201 -26.037 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.114 -15.636 -25.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.378 -14.142 -26.409 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.515 -14.068 -25.042 1.00 0.00 H new ATOM 219 N GLY A 20 8.984 -11.329 -22.084 1.00 0.00 N ATOM 220 CA GLY A 20 8.305 -10.077 -21.807 1.00 0.00 C ATOM 221 C GLY A 20 8.029 -9.882 -20.330 1.00 0.00 C ATOM 222 O GLY A 20 7.124 -10.502 -19.772 1.00 0.00 O ATOM 0 H GLY A 20 8.531 -12.157 -21.697 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.913 -9.249 -22.172 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.364 -10.048 -22.356 1.00 0.00 H new ATOM 226 N PHE A 21 8.813 -9.018 -19.693 1.00 0.00 N ATOM 227 CA PHE A 21 8.651 -8.745 -18.269 1.00 0.00 C ATOM 228 C PHE A 21 7.242 -8.244 -17.969 1.00 0.00 C ATOM 229 O PHE A 21 6.578 -8.735 -17.057 1.00 0.00 O ATOM 230 CB PHE A 21 9.681 -7.711 -17.807 1.00 0.00 C ATOM 231 CG PHE A 21 11.097 -8.210 -17.860 1.00 0.00 C ATOM 232 CD1 PHE A 21 11.509 -9.253 -17.047 1.00 0.00 C ATOM 233 CD2 PHE A 21 12.015 -7.636 -18.725 1.00 0.00 C ATOM 234 CE1 PHE A 21 12.811 -9.715 -17.094 1.00 0.00 C ATOM 235 CE2 PHE A 21 13.318 -8.094 -18.777 1.00 0.00 C ATOM 236 CZ PHE A 21 13.717 -9.134 -17.960 1.00 0.00 C ATOM 0 H PHE A 21 9.566 -8.495 -20.140 1.00 0.00 H new ATOM 0 HA PHE A 21 8.810 -9.676 -17.725 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.595 -6.821 -18.430 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.448 -7.410 -16.786 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.805 -9.711 -16.368 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.709 -6.822 -19.365 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.119 -10.529 -16.455 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.024 -7.639 -19.456 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.735 -9.492 -17.998 1.00 0.00 H new ATOM 246 N GLY A 22 6.791 -7.262 -18.744 1.00 0.00 N ATOM 247 CA GLY A 22 5.464 -6.710 -18.545 1.00 0.00 C ATOM 248 C GLY A 22 5.496 -5.340 -17.898 1.00 0.00 C ATOM 249 O GLY A 22 5.384 -4.321 -18.579 1.00 0.00 O ATOM 0 H GLY A 22 7.321 -6.839 -19.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.954 -6.642 -19.506 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.881 -7.389 -17.922 1.00 0.00 H new ATOM 253 N ASP A 23 5.649 -5.314 -16.578 1.00 0.00 N ATOM 254 CA ASP A 23 5.696 -4.058 -15.838 1.00 0.00 C ATOM 255 C ASP A 23 6.957 -3.271 -16.182 1.00 0.00 C ATOM 256 O ASP A 23 8.014 -3.850 -16.433 1.00 0.00 O ATOM 257 CB ASP A 23 5.641 -4.326 -14.333 1.00 0.00 C ATOM 258 CG ASP A 23 4.251 -4.706 -13.863 1.00 0.00 C ATOM 259 OD1 ASP A 23 3.505 -5.323 -14.652 1.00 0.00 O ATOM 260 OD2 ASP A 23 3.909 -4.387 -12.705 1.00 0.00 O ATOM 0 H ASP A 23 5.743 -6.148 -15.999 1.00 0.00 H new ATOM 0 HA ASP A 23 4.829 -3.463 -16.125 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.337 -5.127 -14.084 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.972 -3.437 -13.796 1.00 0.00 H new ATOM 265 N LYS A 24 6.837 -1.948 -16.193 1.00 0.00 N ATOM 266 CA LYS A 24 7.966 -1.080 -16.505 1.00 0.00 C ATOM 267 C LYS A 24 9.049 -1.190 -15.437 1.00 0.00 C ATOM 268 O LYS A 24 8.768 -1.519 -14.285 1.00 0.00 O ATOM 269 CB LYS A 24 7.501 0.373 -16.627 1.00 0.00 C ATOM 270 CG LYS A 24 8.320 1.194 -17.608 1.00 0.00 C ATOM 271 CD LYS A 24 7.679 1.218 -18.986 1.00 0.00 C ATOM 272 CE LYS A 24 8.238 0.122 -19.880 1.00 0.00 C ATOM 273 NZ LYS A 24 9.627 0.424 -20.325 1.00 0.00 N ATOM 0 H LYS A 24 5.969 -1.453 -15.989 1.00 0.00 H new ATOM 0 HA LYS A 24 8.386 -1.402 -17.458 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.457 0.386 -16.938 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.547 0.844 -15.645 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.422 2.213 -17.235 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.325 0.779 -17.680 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.600 1.095 -18.889 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.848 2.189 -19.450 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.227 -0.826 -19.342 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.595 0.002 -20.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.181 -0.456 -20.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.603 0.852 -21.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.069 1.088 -19.657 1.00 0.00 H new ATOM 287 N PHE A 25 10.289 -0.911 -15.827 1.00 0.00 N ATOM 288 CA PHE A 25 11.414 -0.978 -14.902 1.00 0.00 C ATOM 289 C PHE A 25 11.253 0.037 -13.774 1.00 0.00 C ATOM 290 O PHE A 25 11.450 -0.284 -12.602 1.00 0.00 O ATOM 291 CB PHE A 25 12.728 -0.727 -15.645 1.00 0.00 C ATOM 292 CG PHE A 25 12.743 0.561 -16.418 1.00 0.00 C ATOM 293 CD1 PHE A 25 12.195 0.628 -17.689 1.00 0.00 C ATOM 294 CD2 PHE A 25 13.305 1.704 -15.874 1.00 0.00 C ATOM 295 CE1 PHE A 25 12.206 1.811 -18.403 1.00 0.00 C ATOM 296 CE2 PHE A 25 13.319 2.891 -16.583 1.00 0.00 C ATOM 297 CZ PHE A 25 12.770 2.944 -17.849 1.00 0.00 C ATOM 0 H PHE A 25 10.540 -0.637 -16.777 1.00 0.00 H new ATOM 0 HA PHE A 25 11.435 -1.977 -14.467 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.547 -0.719 -14.926 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.913 -1.555 -16.330 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.754 -0.255 -18.127 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.737 1.668 -14.885 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.775 1.850 -19.392 1.00 0.00 H new ATOM 0 HE2 PHE A 25 13.759 3.776 -16.147 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.782 3.870 -18.405 1.00 0.00 H new ATOM 307 N LYS A 26 10.893 1.263 -14.137 1.00 0.00 N ATOM 308 CA LYS A 26 10.703 2.327 -13.157 1.00 0.00 C ATOM 309 C LYS A 26 9.518 2.022 -12.246 1.00 0.00 C ATOM 310 O LYS A 26 8.456 1.609 -12.711 1.00 0.00 O ATOM 311 CB LYS A 26 10.485 3.666 -13.865 1.00 0.00 C ATOM 312 CG LYS A 26 9.179 3.742 -14.635 1.00 0.00 C ATOM 313 CD LYS A 26 9.268 4.726 -15.790 1.00 0.00 C ATOM 314 CE LYS A 26 9.102 6.161 -15.313 1.00 0.00 C ATOM 315 NZ LYS A 26 9.208 7.133 -16.436 1.00 0.00 N ATOM 0 H LYS A 26 10.727 1.545 -15.103 1.00 0.00 H new ATOM 0 HA LYS A 26 11.603 2.389 -12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.508 4.466 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.313 3.843 -14.552 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.923 2.754 -15.017 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.376 4.042 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.231 4.616 -16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.499 4.495 -16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.133 6.272 -14.826 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.862 6.386 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.090 8.100 -16.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.142 7.044 -16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.467 6.935 -17.138 1.00 0.00 H new ATOM 329 N ARG A 27 9.708 2.231 -10.947 1.00 0.00 N ATOM 330 CA ARG A 27 8.654 1.979 -9.972 1.00 0.00 C ATOM 331 C ARG A 27 7.891 3.261 -9.652 1.00 0.00 C ATOM 332 O ARG A 27 8.423 4.368 -9.740 1.00 0.00 O ATOM 333 CB ARG A 27 9.247 1.393 -8.689 1.00 0.00 C ATOM 334 CG ARG A 27 10.222 2.325 -7.988 1.00 0.00 C ATOM 335 CD ARG A 27 10.541 1.842 -6.581 1.00 0.00 C ATOM 336 NE ARG A 27 11.201 0.539 -6.587 1.00 0.00 N ATOM 337 CZ ARG A 27 10.549 -0.615 -6.502 1.00 0.00 C ATOM 338 NH1 ARG A 27 9.227 -0.628 -6.406 1.00 0.00 N ATOM 339 NH2 ARG A 27 11.221 -1.760 -6.513 1.00 0.00 N ATOM 0 H ARG A 27 10.581 2.574 -10.546 1.00 0.00 H new ATOM 0 HA ARG A 27 7.958 1.261 -10.405 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.436 1.147 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.757 0.460 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.142 2.393 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.799 3.328 -7.942 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.181 2.571 -6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.620 1.779 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 27 12.218 0.514 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.708 0.250 -6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.729 -1.516 -6.341 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.238 -1.754 -6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.720 -2.646 -6.448 1.00 0.00 H new ATOM 353 N PRO A 28 6.613 3.111 -9.273 1.00 0.00 N ATOM 354 CA PRO A 28 5.749 4.245 -8.934 1.00 0.00 C ATOM 355 C PRO A 28 6.160 4.916 -7.627 1.00 0.00 C ATOM 356 O PRO A 28 6.334 4.251 -6.606 1.00 0.00 O ATOM 357 CB PRO A 28 4.365 3.608 -8.795 1.00 0.00 C ATOM 358 CG PRO A 28 4.636 2.186 -8.443 1.00 0.00 C ATOM 359 CD PRO A 28 5.913 1.821 -9.147 1.00 0.00 C ATOM 0 HA PRO A 28 5.797 5.033 -9.686 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.778 4.102 -8.021 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.799 3.685 -9.723 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.736 2.063 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.817 1.542 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.497 1.101 -8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.721 1.371 -10.121 1.00 0.00 H new ATOM 367 N ILE A 29 6.313 6.235 -7.667 1.00 0.00 N ATOM 368 CA ILE A 29 6.702 6.995 -6.486 1.00 0.00 C ATOM 369 C ILE A 29 5.502 7.260 -5.583 1.00 0.00 C ATOM 370 O ILE A 29 5.536 6.973 -4.387 1.00 0.00 O ATOM 371 CB ILE A 29 7.349 8.339 -6.868 1.00 0.00 C ATOM 372 CG1 ILE A 29 8.524 8.111 -7.822 1.00 0.00 C ATOM 373 CG2 ILE A 29 7.808 9.080 -5.621 1.00 0.00 C ATOM 374 CD1 ILE A 29 9.712 7.440 -7.168 1.00 0.00 C ATOM 0 H ILE A 29 6.173 6.800 -8.505 1.00 0.00 H new ATOM 0 HA ILE A 29 7.432 6.390 -5.949 1.00 0.00 H new ATOM 0 HB ILE A 29 6.605 8.952 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.188 7.500 -8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.839 9.070 -8.233 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.263 10.028 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.951 9.270 -4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.539 8.474 -5.086 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.507 7.310 -7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.074 8.060 -6.348 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.412 6.466 -6.782 1.00 0.00 H new ATOM 386 N GLY A 30 4.440 7.809 -6.165 1.00 0.00 N ATOM 387 CA GLY A 30 3.243 8.102 -5.399 1.00 0.00 C ATOM 388 C GLY A 30 2.584 6.851 -4.852 1.00 0.00 C ATOM 389 O GLY A 30 2.710 6.544 -3.666 1.00 0.00 O ATOM 0 H GLY A 30 4.387 8.056 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.498 8.766 -4.573 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.533 8.637 -6.030 1.00 0.00 H new ATOM 393 N SER A 31 1.878 6.129 -5.716 1.00 0.00 N ATOM 394 CA SER A 31 1.193 4.908 -5.310 1.00 0.00 C ATOM 395 C SER A 31 2.192 3.787 -5.043 1.00 0.00 C ATOM 396 O SER A 31 3.397 3.958 -5.226 1.00 0.00 O ATOM 397 CB SER A 31 0.199 4.473 -6.390 1.00 0.00 C ATOM 398 OG SER A 31 -0.670 5.537 -6.741 1.00 0.00 O ATOM 0 H SER A 31 1.766 6.368 -6.701 1.00 0.00 H new ATOM 0 HA SER A 31 0.651 5.115 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.741 4.136 -7.273 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.385 3.625 -6.031 1.00 0.00 H new ATOM 0 HG SER A 31 -1.294 5.235 -7.433 1.00 0.00 H new ATOM 404 N TRP A 32 1.683 2.640 -4.608 1.00 0.00 N ATOM 405 CA TRP A 32 2.530 1.490 -4.314 1.00 0.00 C ATOM 406 C TRP A 32 2.010 0.238 -5.012 1.00 0.00 C ATOM 407 O TRP A 32 0.872 -0.176 -4.794 1.00 0.00 O ATOM 408 CB TRP A 32 2.601 1.255 -2.804 1.00 0.00 C ATOM 409 CG TRP A 32 1.254 1.146 -2.156 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.498 2.169 -1.659 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.505 -0.054 -1.933 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.676 1.677 -1.141 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.696 0.317 -1.298 1.00 0.00 C ATOM 414 CE3 TRP A 32 0.731 -1.405 -2.211 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.664 -0.616 -0.935 1.00 0.00 C ATOM 416 CZ3 TRP A 32 -0.231 -2.329 -1.850 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.417 -1.931 -1.219 1.00 0.00 C ATOM 0 H TRP A 32 0.688 2.482 -4.451 1.00 0.00 H new ATOM 0 HA TRP A 32 3.531 1.703 -4.689 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.164 0.342 -2.612 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.154 2.073 -2.342 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.781 3.211 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.413 2.235 -0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.641 -1.721 -2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.578 -0.312 -0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.066 -3.376 -2.058 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -2.151 -2.677 -0.952 1.00 0.00 H new ATOM 428 N GLU A 33 2.850 -0.359 -5.851 1.00 0.00 N ATOM 429 CA GLU A 33 2.473 -1.564 -6.580 1.00 0.00 C ATOM 430 C GLU A 33 2.502 -2.785 -5.666 1.00 0.00 C ATOM 431 O GLU A 33 3.438 -2.970 -4.887 1.00 0.00 O ATOM 432 CB GLU A 33 3.410 -1.781 -7.770 1.00 0.00 C ATOM 433 CG GLU A 33 3.428 -3.213 -8.278 1.00 0.00 C ATOM 434 CD GLU A 33 4.514 -4.049 -7.629 1.00 0.00 C ATOM 435 OE1 GLU A 33 5.027 -3.636 -6.568 1.00 0.00 O ATOM 436 OE2 GLU A 33 4.851 -5.116 -8.183 1.00 0.00 O ATOM 0 H GLU A 33 3.796 -0.028 -6.043 1.00 0.00 H new ATOM 0 HA GLU A 33 1.455 -1.432 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.110 -1.120 -8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.421 -1.494 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.458 -3.674 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.574 -3.210 -9.358 1.00 0.00 H new ATOM 443 N CYS A 34 1.471 -3.617 -5.766 1.00 0.00 N ATOM 444 CA CYS A 34 1.376 -4.820 -4.949 1.00 0.00 C ATOM 445 C CYS A 34 2.347 -5.890 -5.440 1.00 0.00 C ATOM 446 O CYS A 34 2.952 -5.752 -6.504 1.00 0.00 O ATOM 447 CB CYS A 34 -0.054 -5.366 -4.971 1.00 0.00 C ATOM 448 SG CYS A 34 -0.534 -6.254 -3.455 1.00 0.00 S ATOM 0 H CYS A 34 0.689 -3.480 -6.406 1.00 0.00 H new ATOM 0 HA CYS A 34 1.642 -4.555 -3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.745 -4.538 -5.129 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.162 -6.038 -5.822 1.00 0.00 H new ATOM 453 N SER A 35 2.491 -6.955 -4.658 1.00 0.00 N ATOM 454 CA SER A 35 3.392 -8.046 -5.012 1.00 0.00 C ATOM 455 C SER A 35 2.616 -9.342 -5.229 1.00 0.00 C ATOM 456 O SER A 35 2.947 -10.137 -6.108 1.00 0.00 O ATOM 457 CB SER A 35 4.441 -8.245 -3.916 1.00 0.00 C ATOM 458 OG SER A 35 5.457 -9.137 -4.339 1.00 0.00 O ATOM 0 H SER A 35 1.996 -7.086 -3.776 1.00 0.00 H new ATOM 0 HA SER A 35 3.894 -7.782 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.883 -7.284 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.963 -8.633 -3.017 1.00 0.00 H new ATOM 0 HG SER A 35 6.116 -9.246 -3.622 1.00 0.00 H new ATOM 464 N VAL A 36 1.580 -9.547 -4.421 1.00 0.00 N ATOM 465 CA VAL A 36 0.755 -10.744 -4.524 1.00 0.00 C ATOM 466 C VAL A 36 -0.136 -10.693 -5.760 1.00 0.00 C ATOM 467 O VAL A 36 -0.277 -11.683 -6.478 1.00 0.00 O ATOM 468 CB VAL A 36 -0.128 -10.927 -3.275 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.731 -11.183 -2.047 1.00 0.00 C ATOM 470 CG2 VAL A 36 -1.017 -9.710 -3.070 1.00 0.00 C ATOM 0 H VAL A 36 1.293 -8.899 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 36 1.436 -11.591 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.769 -11.796 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.090 -11.310 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.321 -12.087 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.398 -10.336 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.634 -9.856 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.396 -8.824 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.659 -9.577 -3.941 1.00 0.00 H new ATOM 480 N CYS A 37 -0.735 -9.532 -6.003 1.00 0.00 N ATOM 481 CA CYS A 37 -1.613 -9.350 -7.152 1.00 0.00 C ATOM 482 C CYS A 37 -1.029 -8.332 -8.127 1.00 0.00 C ATOM 483 O CYS A 37 -1.442 -8.257 -9.285 1.00 0.00 O ATOM 484 CB CYS A 37 -3.000 -8.896 -6.694 1.00 0.00 C ATOM 485 SG CYS A 37 -3.069 -7.163 -6.137 1.00 0.00 S ATOM 0 H CYS A 37 -0.628 -8.703 -5.419 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.702 -10.308 -7.664 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.704 -9.031 -7.515 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.332 -9.541 -5.881 1.00 0.00 H new ATOM 490 N CYS A 38 -0.066 -7.550 -7.651 1.00 0.00 N ATOM 491 CA CYS A 38 0.575 -6.535 -8.479 1.00 0.00 C ATOM 492 C CYS A 38 -0.461 -5.598 -9.090 1.00 0.00 C ATOM 493 O CYS A 38 -0.423 -5.308 -10.286 1.00 0.00 O ATOM 494 CB CYS A 38 1.398 -7.196 -9.586 1.00 0.00 C ATOM 495 SG CYS A 38 2.690 -8.308 -8.982 1.00 0.00 S ATOM 0 H CYS A 38 0.288 -7.600 -6.696 1.00 0.00 H new ATOM 0 HA CYS A 38 1.238 -5.949 -7.843 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.727 -7.756 -10.238 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.859 -6.418 -10.195 1.00 0.00 H new ATOM 0 HG CYS A 38 2.310 -8.847 -7.862 1.00 0.00 H new ATOM 501 N VAL A 39 -1.388 -5.127 -8.261 1.00 0.00 N ATOM 502 CA VAL A 39 -2.435 -4.223 -8.720 1.00 0.00 C ATOM 503 C VAL A 39 -2.238 -2.821 -8.153 1.00 0.00 C ATOM 504 O VAL A 39 -1.778 -2.656 -7.023 1.00 0.00 O ATOM 505 CB VAL A 39 -3.832 -4.734 -8.320 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.895 -3.698 -8.652 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.132 -6.057 -9.009 1.00 0.00 C ATOM 0 H VAL A 39 -1.435 -5.357 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.367 -4.185 -9.807 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.845 -4.900 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.875 -4.077 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.687 -2.776 -8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.886 -3.498 -9.723 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.123 -6.404 -8.715 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.101 -5.920 -10.090 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.387 -6.797 -8.716 1.00 0.00 H new ATOM 517 N SER A 40 -2.590 -1.814 -8.946 1.00 0.00 N ATOM 518 CA SER A 40 -2.448 -0.425 -8.525 1.00 0.00 C ATOM 519 C SER A 40 -3.225 -0.166 -7.237 1.00 0.00 C ATOM 520 O SER A 40 -4.333 -0.667 -7.056 1.00 0.00 O ATOM 521 CB SER A 40 -2.938 0.517 -9.627 1.00 0.00 C ATOM 522 OG SER A 40 -2.272 0.259 -10.851 1.00 0.00 O ATOM 0 H SER A 40 -2.975 -1.934 -9.883 1.00 0.00 H new ATOM 0 HA SER A 40 -1.391 -0.234 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.013 0.396 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.768 1.551 -9.328 1.00 0.00 H new ATOM 0 HG SER A 40 -2.604 0.872 -11.540 1.00 0.00 H new ATOM 528 N ASN A 41 -2.632 0.622 -6.345 1.00 0.00 N ATOM 529 CA ASN A 41 -3.267 0.948 -5.073 1.00 0.00 C ATOM 530 C ASN A 41 -3.143 2.438 -4.770 1.00 0.00 C ATOM 531 O ASN A 41 -2.532 3.188 -5.530 1.00 0.00 O ATOM 532 CB ASN A 41 -2.638 0.132 -3.942 1.00 0.00 C ATOM 533 CG ASN A 41 -2.248 -1.265 -4.384 1.00 0.00 C ATOM 534 OD1 ASN A 41 -1.088 -1.663 -4.269 1.00 0.00 O ATOM 535 ND2 ASN A 41 -3.216 -2.017 -4.894 1.00 0.00 N ATOM 0 H ASN A 41 -1.714 1.046 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.325 0.697 -5.148 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.755 0.652 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.341 0.064 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.013 -2.965 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.163 -1.646 -4.970 1.00 0.00 H new ATOM 542 N ASN A 42 -3.729 2.859 -3.653 1.00 0.00 N ATOM 543 CA ASN A 42 -3.684 4.260 -3.249 1.00 0.00 C ATOM 544 C ASN A 42 -2.612 4.486 -2.188 1.00 0.00 C ATOM 545 O ASN A 42 -2.551 3.769 -1.190 1.00 0.00 O ATOM 546 CB ASN A 42 -5.048 4.702 -2.714 1.00 0.00 C ATOM 547 CG ASN A 42 -6.199 4.085 -3.485 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.768 4.711 -4.379 1.00 0.00 O ATOM 549 ND2 ASN A 42 -6.547 2.850 -3.141 1.00 0.00 N ATOM 0 H ASN A 42 -4.240 2.251 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.434 4.857 -4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.129 4.426 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.121 5.788 -2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.314 2.383 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.047 2.369 -2.393 1.00 0.00 H new ATOM 556 N ALA A 43 -1.768 5.488 -2.411 1.00 0.00 N ATOM 557 CA ALA A 43 -0.699 5.811 -1.474 1.00 0.00 C ATOM 558 C ALA A 43 -1.213 5.817 -0.038 1.00 0.00 C ATOM 559 O ALA A 43 -0.604 5.222 0.851 1.00 0.00 O ATOM 560 CB ALA A 43 -0.081 7.157 -1.821 1.00 0.00 C ATOM 0 H ALA A 43 -1.804 6.091 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 43 0.068 5.041 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.716 7.385 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.330 7.119 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.845 7.932 -1.769 1.00 0.00 H new ATOM 566 N GLU A 44 -2.335 6.495 0.182 1.00 0.00 N ATOM 567 CA GLU A 44 -2.928 6.579 1.511 1.00 0.00 C ATOM 568 C GLU A 44 -3.393 5.206 1.988 1.00 0.00 C ATOM 569 O GLU A 44 -3.141 4.815 3.128 1.00 0.00 O ATOM 570 CB GLU A 44 -4.107 7.555 1.507 1.00 0.00 C ATOM 571 CG GLU A 44 -3.738 8.953 1.040 1.00 0.00 C ATOM 572 CD GLU A 44 -4.712 10.008 1.528 1.00 0.00 C ATOM 573 OE1 GLU A 44 -4.702 10.310 2.739 1.00 0.00 O ATOM 574 OE2 GLU A 44 -5.484 10.530 0.697 1.00 0.00 O ATOM 0 H GLU A 44 -2.851 6.994 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.165 6.944 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.892 7.161 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.522 7.615 2.513 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.736 9.197 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.705 8.971 -0.049 1.00 0.00 H new ATOM 581 N ASP A 45 -4.072 4.479 1.107 1.00 0.00 N ATOM 582 CA ASP A 45 -4.572 3.150 1.437 1.00 0.00 C ATOM 583 C ASP A 45 -3.439 2.245 1.911 1.00 0.00 C ATOM 584 O ASP A 45 -2.566 1.867 1.132 1.00 0.00 O ATOM 585 CB ASP A 45 -5.264 2.527 0.224 1.00 0.00 C ATOM 586 CG ASP A 45 -6.666 3.066 0.016 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.841 4.301 0.084 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.586 2.255 -0.214 1.00 0.00 O ATOM 0 H ASP A 45 -4.288 4.788 0.159 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.295 3.252 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.668 2.719 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.309 1.445 0.351 1.00 0.00 H new ATOM 593 N ASN A 46 -3.459 1.904 3.196 1.00 0.00 N ATOM 594 CA ASN A 46 -2.433 1.045 3.775 1.00 0.00 C ATOM 595 C ASN A 46 -2.725 -0.424 3.485 1.00 0.00 C ATOM 596 O ASN A 46 -2.118 -1.318 4.076 1.00 0.00 O ATOM 597 CB ASN A 46 -2.343 1.270 5.286 1.00 0.00 C ATOM 598 CG ASN A 46 -1.362 2.369 5.649 1.00 0.00 C ATOM 599 OD1 ASN A 46 -1.735 3.536 5.762 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.101 1.998 5.834 1.00 0.00 N ATOM 0 H ASN A 46 -4.175 2.210 3.856 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.478 1.304 3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.330 1.525 5.672 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.041 0.342 5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.604 2.693 6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.163 1.018 5.730 1.00 0.00 H new ATOM 607 N LYS A 47 -3.658 -0.666 2.570 1.00 0.00 N ATOM 608 CA LYS A 47 -4.030 -2.026 2.199 1.00 0.00 C ATOM 609 C LYS A 47 -4.471 -2.090 0.740 1.00 0.00 C ATOM 610 O LYS A 47 -4.837 -1.075 0.146 1.00 0.00 O ATOM 611 CB LYS A 47 -5.153 -2.535 3.105 1.00 0.00 C ATOM 612 CG LYS A 47 -4.655 -3.259 4.344 1.00 0.00 C ATOM 613 CD LYS A 47 -4.510 -4.752 4.097 1.00 0.00 C ATOM 614 CE LYS A 47 -4.585 -5.541 5.394 1.00 0.00 C ATOM 615 NZ LYS A 47 -5.991 -5.729 5.849 1.00 0.00 N ATOM 0 H LYS A 47 -4.170 0.062 2.072 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.154 -2.663 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.771 -1.691 3.412 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.792 -3.208 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.694 -2.844 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.349 -3.091 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.295 -5.088 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.558 -4.950 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.115 -6.515 5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.019 -5.022 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.999 -6.272 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.432 -4.800 6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.525 -6.247 5.122 1.00 0.00 H new ATOM 629 N CYS A 48 -4.436 -3.289 0.168 1.00 0.00 N ATOM 630 CA CYS A 48 -4.833 -3.486 -1.221 1.00 0.00 C ATOM 631 C CYS A 48 -6.350 -3.602 -1.342 1.00 0.00 C ATOM 632 O CYS A 48 -7.062 -3.649 -0.339 1.00 0.00 O ATOM 633 CB CYS A 48 -4.168 -4.741 -1.790 1.00 0.00 C ATOM 634 SG CYS A 48 -3.885 -4.682 -3.589 1.00 0.00 S ATOM 0 H CYS A 48 -4.137 -4.139 0.645 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.506 -2.618 -1.793 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.213 -4.893 -1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.790 -5.606 -1.559 1.00 0.00 H new ATOM 639 N VAL A 49 -6.838 -3.646 -2.578 1.00 0.00 N ATOM 640 CA VAL A 49 -8.269 -3.757 -2.831 1.00 0.00 C ATOM 641 C VAL A 49 -8.597 -5.047 -3.575 1.00 0.00 C ATOM 642 O VAL A 49 -9.624 -5.677 -3.323 1.00 0.00 O ATOM 643 CB VAL A 49 -8.789 -2.560 -3.648 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.518 -1.255 -2.915 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.157 -2.545 -5.032 1.00 0.00 C ATOM 0 H VAL A 49 -6.263 -3.606 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.762 -3.766 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.867 -2.665 -3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.892 -0.420 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.022 -1.269 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.445 -1.139 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.536 -1.692 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.074 -2.465 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.408 -3.467 -5.556 1.00 0.00 H new ATOM 655 N SER A 50 -7.717 -5.435 -4.492 1.00 0.00 N ATOM 656 CA SER A 50 -7.914 -6.649 -5.276 1.00 0.00 C ATOM 657 C SER A 50 -7.667 -7.891 -4.425 1.00 0.00 C ATOM 658 O SER A 50 -8.414 -8.867 -4.499 1.00 0.00 O ATOM 659 CB SER A 50 -6.982 -6.655 -6.489 1.00 0.00 C ATOM 660 OG SER A 50 -7.529 -7.420 -7.549 1.00 0.00 O ATOM 0 H SER A 50 -6.860 -4.926 -4.711 1.00 0.00 H new ATOM 0 HA SER A 50 -8.948 -6.665 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.811 -5.632 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.012 -7.063 -6.204 1.00 0.00 H new ATOM 0 HG SER A 50 -6.815 -7.676 -8.170 1.00 0.00 H new ATOM 666 N CYS A 51 -6.614 -7.847 -3.616 1.00 0.00 N ATOM 667 CA CYS A 51 -6.266 -8.967 -2.751 1.00 0.00 C ATOM 668 C CYS A 51 -6.444 -8.595 -1.281 1.00 0.00 C ATOM 669 O CYS A 51 -6.548 -9.466 -0.418 1.00 0.00 O ATOM 670 CB CYS A 51 -4.823 -9.408 -3.006 1.00 0.00 C ATOM 671 SG CYS A 51 -3.571 -8.202 -2.462 1.00 0.00 S ATOM 0 H CYS A 51 -5.986 -7.046 -3.542 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.937 -9.794 -2.982 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.647 -10.354 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.694 -9.594 -4.072 1.00 0.00 H new ATOM 676 N MET A 52 -6.478 -7.295 -1.006 1.00 0.00 N ATOM 677 CA MET A 52 -6.644 -6.808 0.358 1.00 0.00 C ATOM 678 C MET A 52 -5.477 -7.245 1.238 1.00 0.00 C ATOM 679 O MET A 52 -5.674 -7.705 2.362 1.00 0.00 O ATOM 680 CB MET A 52 -7.961 -7.317 0.947 1.00 0.00 C ATOM 681 CG MET A 52 -9.156 -6.438 0.614 1.00 0.00 C ATOM 682 SD MET A 52 -10.730 -7.253 0.944 1.00 0.00 S ATOM 683 CE MET A 52 -11.568 -7.018 -0.622 1.00 0.00 C ATOM 0 H MET A 52 -6.393 -6.561 -1.709 1.00 0.00 H new ATOM 0 HA MET A 52 -6.665 -5.719 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.148 -8.326 0.579 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.862 -7.387 2.030 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.099 -5.518 1.195 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.112 -6.154 -0.437 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.559 -7.469 -0.576 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.664 -5.952 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.991 -7.490 -1.418 1.00 0.00 H new ATOM 693 N SER A 53 -4.263 -7.098 0.718 1.00 0.00 N ATOM 694 CA SER A 53 -3.064 -7.481 1.455 1.00 0.00 C ATOM 695 C SER A 53 -2.380 -6.257 2.055 1.00 0.00 C ATOM 696 O SER A 53 -2.541 -5.140 1.564 1.00 0.00 O ATOM 697 CB SER A 53 -2.092 -8.224 0.538 1.00 0.00 C ATOM 698 OG SER A 53 -1.408 -7.324 -0.317 1.00 0.00 O ATOM 0 H SER A 53 -4.083 -6.716 -0.211 1.00 0.00 H new ATOM 0 HA SER A 53 -3.363 -8.143 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.371 -8.778 1.139 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.637 -8.955 -0.059 1.00 0.00 H new ATOM 0 HG SER A 53 -1.839 -7.317 -1.197 1.00 0.00 H new ATOM 704 N GLU A 54 -1.617 -6.476 3.121 1.00 0.00 N ATOM 705 CA GLU A 54 -0.909 -5.390 3.789 1.00 0.00 C ATOM 706 C GLU A 54 0.067 -4.709 2.835 1.00 0.00 C ATOM 707 O GLU A 54 0.648 -5.351 1.959 1.00 0.00 O ATOM 708 CB GLU A 54 -0.158 -5.918 5.013 1.00 0.00 C ATOM 709 CG GLU A 54 -1.041 -6.105 6.236 1.00 0.00 C ATOM 710 CD GLU A 54 -1.699 -7.471 6.277 1.00 0.00 C ATOM 711 OE1 GLU A 54 -1.929 -8.051 5.195 1.00 0.00 O ATOM 712 OE2 GLU A 54 -1.983 -7.960 7.390 1.00 0.00 O ATOM 0 H GLU A 54 -1.473 -7.395 3.540 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.646 -4.655 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.305 -6.872 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.648 -5.227 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.442 -5.967 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.812 -5.334 6.244 1.00 0.00 H new ATOM 719 N LYS A 55 0.243 -3.403 3.010 1.00 0.00 N ATOM 720 CA LYS A 55 1.149 -2.633 2.166 1.00 0.00 C ATOM 721 C LYS A 55 2.561 -2.631 2.743 1.00 0.00 C ATOM 722 O LYS A 55 2.763 -2.497 3.950 1.00 0.00 O ATOM 723 CB LYS A 55 0.644 -1.195 2.020 1.00 0.00 C ATOM 724 CG LYS A 55 1.598 -0.290 1.262 1.00 0.00 C ATOM 725 CD LYS A 55 1.262 1.177 1.473 1.00 0.00 C ATOM 726 CE LYS A 55 2.488 2.061 1.299 1.00 0.00 C ATOM 727 NZ LYS A 55 2.118 3.492 1.116 1.00 0.00 N ATOM 0 H LYS A 55 -0.230 -2.856 3.729 1.00 0.00 H new ATOM 0 HA LYS A 55 1.178 -3.103 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.317 -1.207 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.471 -0.777 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.620 -0.481 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.556 -0.525 0.198 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.490 1.480 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.850 1.317 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.134 1.962 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.062 1.721 0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.981 4.064 1.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.536 3.593 0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.578 3.819 1.942 1.00 0.00 H new ATOM 741 N PRO A 56 3.561 -2.782 1.863 1.00 0.00 N ATOM 742 CA PRO A 56 4.971 -2.798 2.262 1.00 0.00 C ATOM 743 C PRO A 56 5.458 -1.431 2.730 1.00 0.00 C ATOM 744 O PRO A 56 4.673 -0.492 2.856 1.00 0.00 O ATOM 745 CB PRO A 56 5.698 -3.215 0.981 1.00 0.00 C ATOM 746 CG PRO A 56 4.791 -2.795 -0.123 1.00 0.00 C ATOM 747 CD PRO A 56 3.392 -2.947 0.409 1.00 0.00 C ATOM 0 HA PRO A 56 5.147 -3.466 3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.670 -2.729 0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.877 -4.290 0.959 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.986 -1.764 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.941 -3.413 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.720 -2.195 -0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.971 -3.922 0.161 1.00 0.00 H new ATOM 755 N GLY A 57 6.759 -1.326 2.985 1.00 0.00 N ATOM 756 CA GLY A 57 7.327 -0.069 3.435 1.00 0.00 C ATOM 757 C GLY A 57 8.547 0.336 2.632 1.00 0.00 C ATOM 758 O GLY A 57 9.638 -0.159 2.909 1.00 0.00 O ATOM 0 H GLY A 57 7.429 -2.089 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.572 0.714 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.600 -0.153 4.487 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.791 -6.707 -3.946 1.00 0.00 ZN