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= -0.0246 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0197 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 -22:sc= 0.554 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0117 USER MOD Single : A 13 THR OG1 : rot -41:sc= 0.795 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+ 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 160:sc= -0.284 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -29:sc= 0.385 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4.7!) USER MOD Single : A 42 ASN : amide:sc= 0.0451 X(o=0.045,f=-0.029) USER MOD Single : A 46 ASN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.0465 (180deg=-0.335) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -102:sc= 0.0671 USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= 1.11 (180deg=0.624) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.166 9.732 -1.519 1.00 0.00 N ATOM 2 CA GLY A 1 32.386 8.973 -1.319 1.00 0.00 C ATOM 3 C GLY A 1 32.992 8.495 -2.623 1.00 0.00 C ATOM 4 O GLY A 1 33.229 9.289 -3.533 1.00 0.00 O ATOM 0 H1 GLY A 1 30.791 10.036 -0.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.369 10.568 -2.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.462 9.137 -2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.112 9.590 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.175 8.113 -0.683 1.00 0.00 H new ATOM 8 N SER A 2 33.245 7.193 -2.715 1.00 0.00 N ATOM 9 CA SER A 2 33.833 6.611 -3.915 1.00 0.00 C ATOM 10 C SER A 2 35.140 7.310 -4.275 1.00 0.00 C ATOM 11 O SER A 2 35.405 7.592 -5.443 1.00 0.00 O ATOM 12 CB SER A 2 32.852 6.705 -5.086 1.00 0.00 C ATOM 13 OG SER A 2 31.854 5.703 -4.997 1.00 0.00 O ATOM 0 H SER A 2 33.052 6.521 -1.972 1.00 0.00 H new ATOM 0 HA SER A 2 34.047 5.562 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.384 7.689 -5.094 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.393 6.602 -6.027 1.00 0.00 H new ATOM 0 HG SER A 2 31.239 5.786 -5.755 1.00 0.00 H new ATOM 19 N SER A 3 35.953 7.588 -3.261 1.00 0.00 N ATOM 20 CA SER A 3 37.232 8.259 -3.468 1.00 0.00 C ATOM 21 C SER A 3 37.969 7.665 -4.664 1.00 0.00 C ATOM 22 O SER A 3 38.368 8.382 -5.581 1.00 0.00 O ATOM 23 CB SER A 3 38.099 8.147 -2.213 1.00 0.00 C ATOM 24 OG SER A 3 38.204 6.801 -1.783 1.00 0.00 O ATOM 0 H SER A 3 35.749 7.359 -2.288 1.00 0.00 H new ATOM 0 HA SER A 3 37.034 9.311 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 39.093 8.545 -2.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 37.670 8.754 -1.416 1.00 0.00 H new ATOM 0 HG SER A 3 38.765 6.757 -0.980 1.00 0.00 H new ATOM 30 N GLY A 4 38.146 6.347 -4.648 1.00 0.00 N ATOM 31 CA GLY A 4 38.835 5.677 -5.736 1.00 0.00 C ATOM 32 C GLY A 4 39.971 6.507 -6.301 1.00 0.00 C ATOM 33 O GLY A 4 40.674 7.195 -5.560 1.00 0.00 O ATOM 0 H GLY A 4 37.825 5.731 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 4 39.227 4.724 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 4 38.123 5.453 -6.530 1.00 0.00 H new ATOM 37 N SER A 5 40.152 6.442 -7.616 1.00 0.00 N ATOM 38 CA SER A 5 41.214 7.190 -8.279 1.00 0.00 C ATOM 39 C SER A 5 40.644 8.379 -9.047 1.00 0.00 C ATOM 40 O SER A 5 39.566 8.293 -9.634 1.00 0.00 O ATOM 41 CB SER A 5 41.990 6.278 -9.231 1.00 0.00 C ATOM 42 OG SER A 5 42.826 5.386 -8.515 1.00 0.00 O ATOM 0 H SER A 5 39.577 5.879 -8.243 1.00 0.00 H new ATOM 0 HA SER A 5 41.892 7.566 -7.513 1.00 0.00 H new ATOM 0 HB2 SER A 5 41.292 5.711 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 5 42.594 6.883 -9.908 1.00 0.00 H new ATOM 0 HG SER A 5 43.310 4.813 -9.146 1.00 0.00 H new ATOM 48 N SER A 6 41.377 9.487 -9.037 1.00 0.00 N ATOM 49 CA SER A 6 40.944 10.696 -9.729 1.00 0.00 C ATOM 50 C SER A 6 41.832 10.978 -10.937 1.00 0.00 C ATOM 51 O SER A 6 42.937 10.448 -11.047 1.00 0.00 O ATOM 52 CB SER A 6 40.967 11.891 -8.774 1.00 0.00 C ATOM 53 OG SER A 6 40.405 13.041 -9.383 1.00 0.00 O ATOM 0 H SER A 6 42.273 9.573 -8.558 1.00 0.00 H new ATOM 0 HA SER A 6 39.924 10.539 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 6 40.412 11.647 -7.868 1.00 0.00 H new ATOM 0 HB3 SER A 6 41.993 12.100 -8.473 1.00 0.00 H new ATOM 0 HG SER A 6 40.430 13.790 -8.752 1.00 0.00 H new ATOM 59 N GLY A 7 41.340 11.819 -11.842 1.00 0.00 N ATOM 60 CA GLY A 7 42.101 12.158 -13.031 1.00 0.00 C ATOM 61 C GLY A 7 42.005 13.630 -13.380 1.00 0.00 C ATOM 62 O GLY A 7 42.926 14.400 -13.108 1.00 0.00 O ATOM 0 H GLY A 7 40.428 12.271 -11.773 1.00 0.00 H new ATOM 0 HA2 GLY A 7 43.147 11.891 -12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 41.741 11.564 -13.871 1.00 0.00 H new ATOM 66 N SER A 8 40.889 14.022 -13.985 1.00 0.00 N ATOM 67 CA SER A 8 40.679 15.410 -14.378 1.00 0.00 C ATOM 68 C SER A 8 39.886 16.162 -13.312 1.00 0.00 C ATOM 69 O SER A 8 39.288 15.554 -12.424 1.00 0.00 O ATOM 70 CB SER A 8 39.945 15.479 -15.718 1.00 0.00 C ATOM 71 OG SER A 8 40.684 14.828 -16.738 1.00 0.00 O ATOM 0 H SER A 8 40.116 13.398 -14.214 1.00 0.00 H new ATOM 0 HA SER A 8 41.655 15.883 -14.483 1.00 0.00 H new ATOM 0 HB2 SER A 8 38.963 15.015 -15.623 1.00 0.00 H new ATOM 0 HB3 SER A 8 39.780 16.521 -15.993 1.00 0.00 H new ATOM 0 HG SER A 8 40.193 14.884 -17.584 1.00 0.00 H new ATOM 77 N SER A 9 39.886 17.487 -13.409 1.00 0.00 N ATOM 78 CA SER A 9 39.170 18.323 -12.452 1.00 0.00 C ATOM 79 C SER A 9 37.676 18.014 -12.472 1.00 0.00 C ATOM 80 O SER A 9 37.100 17.617 -11.459 1.00 0.00 O ATOM 81 CB SER A 9 39.401 19.803 -12.764 1.00 0.00 C ATOM 82 OG SER A 9 40.563 20.286 -12.113 1.00 0.00 O ATOM 0 H SER A 9 40.373 18.005 -14.140 1.00 0.00 H new ATOM 0 HA SER A 9 39.555 18.104 -11.456 1.00 0.00 H new ATOM 0 HB2 SER A 9 39.500 19.940 -13.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 38.535 20.384 -12.447 1.00 0.00 H new ATOM 0 HG SER A 9 40.689 21.233 -12.330 1.00 0.00 H new ATOM 88 N SER A 10 37.055 18.200 -13.632 1.00 0.00 N ATOM 89 CA SER A 10 35.627 17.946 -13.784 1.00 0.00 C ATOM 90 C SER A 10 35.274 17.688 -15.246 1.00 0.00 C ATOM 91 O SER A 10 36.086 17.919 -16.142 1.00 0.00 O ATOM 92 CB SER A 10 34.817 19.130 -13.253 1.00 0.00 C ATOM 93 OG SER A 10 35.188 19.445 -11.922 1.00 0.00 O ATOM 0 H SER A 10 37.518 18.526 -14.480 1.00 0.00 H new ATOM 0 HA SER A 10 35.378 17.056 -13.205 1.00 0.00 H new ATOM 0 HB2 SER A 10 34.974 19.998 -13.893 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.754 18.894 -13.291 1.00 0.00 H new ATOM 0 HG SER A 10 35.610 18.664 -11.507 1.00 0.00 H new ATOM 99 N SER A 11 34.057 17.209 -15.478 1.00 0.00 N ATOM 100 CA SER A 11 33.596 16.916 -16.830 1.00 0.00 C ATOM 101 C SER A 11 32.373 17.757 -17.182 1.00 0.00 C ATOM 102 O SER A 11 31.444 17.886 -16.383 1.00 0.00 O ATOM 103 CB SER A 11 33.262 15.429 -16.967 1.00 0.00 C ATOM 104 OG SER A 11 32.042 15.118 -16.316 1.00 0.00 O ATOM 0 H SER A 11 33.372 17.015 -14.748 1.00 0.00 H new ATOM 0 HA SER A 11 34.399 17.167 -17.523 1.00 0.00 H new ATOM 0 HB2 SER A 11 33.192 15.164 -18.022 1.00 0.00 H new ATOM 0 HB3 SER A 11 34.068 14.831 -16.541 1.00 0.00 H new ATOM 0 HG SER A 11 31.850 14.163 -16.420 1.00 0.00 H new ATOM 110 N CYS A 12 32.380 18.328 -18.381 1.00 0.00 N ATOM 111 CA CYS A 12 31.272 19.159 -18.840 1.00 0.00 C ATOM 112 C CYS A 12 30.859 18.780 -20.258 1.00 0.00 C ATOM 113 O CYS A 12 31.680 18.324 -21.055 1.00 0.00 O ATOM 114 CB CYS A 12 31.660 20.637 -18.786 1.00 0.00 C ATOM 115 SG CYS A 12 32.134 21.217 -17.140 1.00 0.00 S ATOM 0 H CYS A 12 33.141 18.231 -19.054 1.00 0.00 H new ATOM 0 HA CYS A 12 30.424 18.989 -18.177 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.489 20.809 -19.473 1.00 0.00 H new ATOM 0 HB3 CYS A 12 30.821 21.235 -19.142 1.00 0.00 H new ATOM 0 HG CYS A 12 32.447 22.478 -17.197 1.00 0.00 H new ATOM 121 N THR A 13 29.580 18.969 -20.567 1.00 0.00 N ATOM 122 CA THR A 13 29.057 18.645 -21.888 1.00 0.00 C ATOM 123 C THR A 13 29.417 17.218 -22.287 1.00 0.00 C ATOM 124 O THR A 13 29.781 16.956 -23.433 1.00 0.00 O ATOM 125 CB THR A 13 29.592 19.615 -22.958 1.00 0.00 C ATOM 126 OG1 THR A 13 30.881 19.185 -23.408 1.00 0.00 O ATOM 127 CG2 THR A 13 29.687 21.030 -22.407 1.00 0.00 C ATOM 0 H THR A 13 28.887 19.345 -19.920 1.00 0.00 H new ATOM 0 HA THR A 13 27.973 18.741 -21.831 1.00 0.00 H new ATOM 0 HB THR A 13 28.896 19.615 -23.797 1.00 0.00 H new ATOM 0 HG1 THR A 13 31.411 18.883 -22.641 1.00 0.00 H new ATOM 0 HG21 THR A 13 30.067 21.697 -23.181 1.00 0.00 H new ATOM 0 HG22 THR A 13 28.699 21.365 -22.093 1.00 0.00 H new ATOM 0 HG23 THR A 13 30.363 21.043 -21.552 1.00 0.00 H new ATOM 135 N VAL A 14 29.312 16.298 -21.333 1.00 0.00 N ATOM 136 CA VAL A 14 29.625 14.896 -21.586 1.00 0.00 C ATOM 137 C VAL A 14 28.379 14.121 -22.001 1.00 0.00 C ATOM 138 O VAL A 14 28.422 13.296 -22.914 1.00 0.00 O ATOM 139 CB VAL A 14 30.243 14.227 -20.345 1.00 0.00 C ATOM 140 CG1 VAL A 14 31.569 14.883 -19.988 1.00 0.00 C ATOM 141 CG2 VAL A 14 29.277 14.285 -19.171 1.00 0.00 C ATOM 0 H VAL A 14 29.013 16.498 -20.379 1.00 0.00 H new ATOM 0 HA VAL A 14 30.350 14.875 -22.400 1.00 0.00 H new ATOM 0 HB VAL A 14 30.434 13.179 -20.577 1.00 0.00 H new ATOM 0 HG11 VAL A 14 31.990 14.397 -19.108 1.00 0.00 H new ATOM 0 HG12 VAL A 14 32.261 14.783 -20.824 1.00 0.00 H new ATOM 0 HG13 VAL A 14 31.407 15.940 -19.775 1.00 0.00 H new ATOM 0 HG21 VAL A 14 29.731 13.807 -18.303 1.00 0.00 H new ATOM 0 HG22 VAL A 14 29.051 15.325 -18.936 1.00 0.00 H new ATOM 0 HG23 VAL A 14 28.356 13.764 -19.432 1.00 0.00 H new ATOM 151 N THR A 15 27.268 14.392 -21.323 1.00 0.00 N ATOM 152 CA THR A 15 26.009 13.720 -21.620 1.00 0.00 C ATOM 153 C THR A 15 24.920 14.725 -21.976 1.00 0.00 C ATOM 154 O THR A 15 24.740 15.732 -21.289 1.00 0.00 O ATOM 155 CB THR A 15 25.534 12.866 -20.430 1.00 0.00 C ATOM 156 OG1 THR A 15 25.488 13.663 -19.242 1.00 0.00 O ATOM 157 CG2 THR A 15 26.459 11.677 -20.213 1.00 0.00 C ATOM 0 H THR A 15 27.215 15.072 -20.565 1.00 0.00 H new ATOM 0 HA THR A 15 26.192 13.069 -22.475 1.00 0.00 H new ATOM 0 HB THR A 15 24.535 12.493 -20.656 1.00 0.00 H new ATOM 0 HG1 THR A 15 25.183 13.113 -18.490 1.00 0.00 H new ATOM 0 HG21 THR A 15 26.103 11.089 -19.367 1.00 0.00 H new ATOM 0 HG22 THR A 15 26.469 11.056 -21.109 1.00 0.00 H new ATOM 0 HG23 THR A 15 27.468 12.034 -20.008 1.00 0.00 H new ATOM 165 N THR A 16 24.193 14.447 -23.054 1.00 0.00 N ATOM 166 CA THR A 16 23.121 15.327 -23.501 1.00 0.00 C ATOM 167 C THR A 16 22.087 15.537 -22.401 1.00 0.00 C ATOM 168 O THR A 16 21.779 16.669 -22.033 1.00 0.00 O ATOM 169 CB THR A 16 22.418 14.766 -24.751 1.00 0.00 C ATOM 170 OG1 THR A 16 23.381 14.498 -25.776 1.00 0.00 O ATOM 171 CG2 THR A 16 21.375 15.744 -25.271 1.00 0.00 C ATOM 0 H THR A 16 24.328 13.619 -23.634 1.00 0.00 H new ATOM 0 HA THR A 16 23.581 16.283 -23.751 1.00 0.00 H new ATOM 0 HB THR A 16 21.917 13.839 -24.473 1.00 0.00 H new ATOM 0 HG1 THR A 16 22.926 14.140 -26.567 1.00 0.00 H new ATOM 0 HG21 THR A 16 20.892 15.326 -26.154 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.627 15.923 -24.499 1.00 0.00 H new ATOM 0 HG23 THR A 16 21.858 16.685 -25.533 1.00 0.00 H new ATOM 179 N GLY A 17 21.553 14.436 -21.880 1.00 0.00 N ATOM 180 CA GLY A 17 20.558 14.522 -20.826 1.00 0.00 C ATOM 181 C GLY A 17 19.178 14.107 -21.296 1.00 0.00 C ATOM 182 O GLY A 17 19.027 13.104 -21.994 1.00 0.00 O ATOM 0 H GLY A 17 21.791 13.487 -22.169 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.860 13.888 -19.993 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.518 15.545 -20.451 1.00 0.00 H new ATOM 186 N THR A 18 18.167 14.879 -20.912 1.00 0.00 N ATOM 187 CA THR A 18 16.792 14.585 -21.296 1.00 0.00 C ATOM 188 C THR A 18 15.979 15.865 -21.451 1.00 0.00 C ATOM 189 O THR A 18 16.261 16.875 -20.804 1.00 0.00 O ATOM 190 CB THR A 18 16.103 13.675 -20.262 1.00 0.00 C ATOM 191 OG1 THR A 18 14.820 13.264 -20.750 1.00 0.00 O ATOM 192 CG2 THR A 18 15.938 14.394 -18.932 1.00 0.00 C ATOM 0 H THR A 18 18.274 15.713 -20.335 1.00 0.00 H new ATOM 0 HA THR A 18 16.835 14.067 -22.254 1.00 0.00 H new ATOM 0 HB THR A 18 16.731 12.798 -20.107 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.389 12.684 -20.088 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.449 13.731 -18.218 1.00 0.00 H new ATOM 0 HG22 THR A 18 16.918 14.680 -18.549 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.329 15.287 -19.074 1.00 0.00 H new ATOM 200 N LEU A 19 14.968 15.818 -22.312 1.00 0.00 N ATOM 201 CA LEU A 19 14.113 16.975 -22.552 1.00 0.00 C ATOM 202 C LEU A 19 12.688 16.539 -22.879 1.00 0.00 C ATOM 203 O LEU A 19 12.475 15.548 -23.576 1.00 0.00 O ATOM 204 CB LEU A 19 14.674 17.821 -23.696 1.00 0.00 C ATOM 205 CG LEU A 19 14.498 17.249 -25.103 1.00 0.00 C ATOM 206 CD1 LEU A 19 13.182 17.714 -25.707 1.00 0.00 C ATOM 207 CD2 LEU A 19 15.667 17.650 -25.992 1.00 0.00 C ATOM 0 H LEU A 19 14.721 14.991 -22.855 1.00 0.00 H new ATOM 0 HA LEU A 19 14.091 17.575 -21.642 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.200 18.802 -23.662 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.738 17.975 -23.519 1.00 0.00 H new ATOM 0 HG LEU A 19 14.478 16.161 -25.033 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.074 17.297 -26.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.355 17.376 -25.082 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.172 18.802 -25.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.525 17.234 -26.989 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.719 18.737 -26.056 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.595 17.266 -25.568 1.00 0.00 H new ATOM 219 N GLY A 20 11.714 17.289 -22.371 1.00 0.00 N ATOM 220 CA GLY A 20 10.322 16.966 -22.622 1.00 0.00 C ATOM 221 C GLY A 20 9.628 16.404 -21.397 1.00 0.00 C ATOM 222 O GLY A 20 8.957 15.374 -21.473 1.00 0.00 O ATOM 0 H GLY A 20 11.865 18.114 -21.790 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.798 17.863 -22.953 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.261 16.242 -23.435 1.00 0.00 H new ATOM 226 N PHE A 21 9.789 17.080 -20.265 1.00 0.00 N ATOM 227 CA PHE A 21 9.175 16.640 -19.017 1.00 0.00 C ATOM 228 C PHE A 21 7.701 17.033 -18.969 1.00 0.00 C ATOM 229 O PHE A 21 7.305 18.066 -19.507 1.00 0.00 O ATOM 230 CB PHE A 21 9.915 17.242 -17.820 1.00 0.00 C ATOM 231 CG PHE A 21 9.910 18.743 -17.805 1.00 0.00 C ATOM 232 CD1 PHE A 21 8.735 19.444 -17.584 1.00 0.00 C ATOM 233 CD2 PHE A 21 11.081 19.455 -18.013 1.00 0.00 C ATOM 234 CE1 PHE A 21 8.728 20.826 -17.570 1.00 0.00 C ATOM 235 CE2 PHE A 21 11.080 20.837 -18.000 1.00 0.00 C ATOM 236 CZ PHE A 21 9.902 21.523 -17.777 1.00 0.00 C ATOM 0 H PHE A 21 10.340 17.935 -20.185 1.00 0.00 H new ATOM 0 HA PHE A 21 9.245 15.553 -18.969 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.459 16.876 -16.900 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.947 16.890 -17.827 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.814 18.904 -17.421 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.005 18.924 -18.187 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.805 21.360 -17.397 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.999 21.380 -18.164 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.899 22.603 -17.765 1.00 0.00 H new ATOM 246 N GLY A 22 6.894 16.200 -18.319 1.00 0.00 N ATOM 247 CA GLY A 22 5.473 16.477 -18.212 1.00 0.00 C ATOM 248 C GLY A 22 4.638 15.212 -18.172 1.00 0.00 C ATOM 249 O GLY A 22 5.164 14.119 -17.960 1.00 0.00 O ATOM 0 H GLY A 22 7.198 15.339 -17.865 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.286 17.061 -17.311 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.160 17.089 -19.058 1.00 0.00 H new ATOM 253 N ASP A 23 3.333 15.360 -18.373 1.00 0.00 N ATOM 254 CA ASP A 23 2.423 14.221 -18.358 1.00 0.00 C ATOM 255 C ASP A 23 2.494 13.486 -17.023 1.00 0.00 C ATOM 256 O ASP A 23 2.486 12.256 -16.978 1.00 0.00 O ATOM 257 CB ASP A 23 2.755 13.261 -19.502 1.00 0.00 C ATOM 258 CG ASP A 23 1.552 12.454 -19.948 1.00 0.00 C ATOM 259 OD1 ASP A 23 0.661 12.204 -19.109 1.00 0.00 O ATOM 260 OD2 ASP A 23 1.501 12.071 -21.136 1.00 0.00 O ATOM 0 H ASP A 23 2.882 16.258 -18.548 1.00 0.00 H new ATOM 0 HA ASP A 23 1.408 14.596 -18.492 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.142 13.829 -20.348 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.547 12.582 -19.185 1.00 0.00 H new ATOM 265 N LYS A 24 2.565 14.248 -15.938 1.00 0.00 N ATOM 266 CA LYS A 24 2.638 13.671 -14.600 1.00 0.00 C ATOM 267 C LYS A 24 1.242 13.416 -14.041 1.00 0.00 C ATOM 268 O LYS A 24 0.948 12.325 -13.553 1.00 0.00 O ATOM 269 CB LYS A 24 3.412 14.601 -13.663 1.00 0.00 C ATOM 270 CG LYS A 24 4.913 14.587 -13.896 1.00 0.00 C ATOM 271 CD LYS A 24 5.536 13.276 -13.445 1.00 0.00 C ATOM 272 CE LYS A 24 6.983 13.162 -13.899 1.00 0.00 C ATOM 273 NZ LYS A 24 7.607 11.888 -13.445 1.00 0.00 N ATOM 0 H LYS A 24 2.574 15.268 -15.958 1.00 0.00 H new ATOM 0 HA LYS A 24 3.162 12.718 -14.670 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.043 15.619 -13.788 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.210 14.314 -12.631 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.119 14.743 -14.955 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.374 15.414 -13.356 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.488 13.204 -12.358 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.961 12.441 -13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.028 13.222 -14.986 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.554 14.005 -13.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.593 11.848 -13.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.587 11.842 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.078 11.083 -13.837 1.00 0.00 H new ATOM 287 N PHE A 25 0.385 14.428 -14.118 1.00 0.00 N ATOM 288 CA PHE A 25 -0.981 14.313 -13.620 1.00 0.00 C ATOM 289 C PHE A 25 -1.597 12.978 -14.027 1.00 0.00 C ATOM 290 O PHE A 25 -2.129 12.246 -13.192 1.00 0.00 O ATOM 291 CB PHE A 25 -1.838 15.465 -14.148 1.00 0.00 C ATOM 292 CG PHE A 25 -1.144 16.796 -14.107 1.00 0.00 C ATOM 293 CD1 PHE A 25 -0.345 17.208 -15.162 1.00 0.00 C ATOM 294 CD2 PHE A 25 -1.290 17.636 -13.015 1.00 0.00 C ATOM 295 CE1 PHE A 25 0.295 18.433 -15.127 1.00 0.00 C ATOM 296 CE2 PHE A 25 -0.652 18.861 -12.974 1.00 0.00 C ATOM 297 CZ PHE A 25 0.141 19.261 -14.032 1.00 0.00 C ATOM 0 H PHE A 25 0.612 15.337 -14.521 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.950 14.362 -12.532 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.131 15.248 -15.175 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.755 15.524 -13.561 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.221 16.565 -16.021 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.910 17.330 -12.186 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.915 18.742 -15.955 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.773 19.505 -12.116 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.639 20.219 -14.003 1.00 0.00 H new ATOM 307 N LYS A 26 -1.523 12.667 -15.316 1.00 0.00 N ATOM 308 CA LYS A 26 -2.071 11.421 -15.837 1.00 0.00 C ATOM 309 C LYS A 26 -1.527 10.223 -15.065 1.00 0.00 C ATOM 310 O LYS A 26 -2.276 9.318 -14.696 1.00 0.00 O ATOM 311 CB LYS A 26 -1.741 11.276 -17.324 1.00 0.00 C ATOM 312 CG LYS A 26 -2.629 12.113 -18.228 1.00 0.00 C ATOM 313 CD LYS A 26 -2.173 13.562 -18.271 1.00 0.00 C ATOM 314 CE LYS A 26 -2.974 14.368 -19.283 1.00 0.00 C ATOM 315 NZ LYS A 26 -4.238 14.894 -18.697 1.00 0.00 N ATOM 0 H LYS A 26 -1.088 13.262 -16.021 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.154 11.450 -15.713 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.701 11.560 -17.486 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.833 10.228 -17.608 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.619 11.697 -19.236 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.659 12.065 -17.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.280 14.008 -17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.114 13.604 -18.527 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.369 15.199 -19.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.206 13.742 -20.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.755 15.437 -19.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.827 14.100 -18.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.016 15.512 -17.891 1.00 0.00 H new ATOM 329 N ARG A 27 -0.220 10.224 -14.825 1.00 0.00 N ATOM 330 CA ARG A 27 0.424 9.137 -14.097 1.00 0.00 C ATOM 331 C ARG A 27 0.322 9.356 -12.590 1.00 0.00 C ATOM 332 O ARG A 27 0.131 10.475 -12.112 1.00 0.00 O ATOM 333 CB ARG A 27 1.893 9.019 -14.507 1.00 0.00 C ATOM 334 CG ARG A 27 2.107 8.211 -15.777 1.00 0.00 C ATOM 335 CD ARG A 27 1.724 9.007 -17.015 1.00 0.00 C ATOM 336 NE ARG A 27 2.341 8.468 -18.224 1.00 0.00 N ATOM 337 CZ ARG A 27 3.578 8.759 -18.610 1.00 0.00 C ATOM 338 NH1 ARG A 27 4.326 9.580 -17.886 1.00 0.00 N ATOM 339 NH2 ARG A 27 4.069 8.229 -19.723 1.00 0.00 N ATOM 0 H ARG A 27 0.414 10.965 -15.124 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.092 8.210 -14.348 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.303 10.019 -14.649 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.453 8.557 -13.694 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.152 7.910 -15.846 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.514 7.297 -15.733 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.640 9.002 -17.128 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.026 10.046 -16.886 1.00 0.00 H new ATOM 0 HE ARG A 27 1.792 7.833 -18.804 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.952 9.990 -17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.276 9.802 -18.185 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.496 7.597 -20.283 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.019 8.453 -20.019 1.00 0.00 H new ATOM 353 N PRO A 28 0.451 8.264 -11.823 1.00 0.00 N ATOM 354 CA PRO A 28 0.376 8.311 -10.360 1.00 0.00 C ATOM 355 C PRO A 28 1.583 9.008 -9.740 1.00 0.00 C ATOM 356 O PRO A 28 2.663 9.040 -10.330 1.00 0.00 O ATOM 357 CB PRO A 28 0.348 6.834 -9.958 1.00 0.00 C ATOM 358 CG PRO A 28 1.019 6.123 -11.082 1.00 0.00 C ATOM 359 CD PRO A 28 0.679 6.898 -12.325 1.00 0.00 C ATOM 0 HA PRO A 28 -0.489 8.878 -10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.872 6.670 -9.017 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.674 6.481 -9.820 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.098 6.083 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.669 5.093 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.490 6.867 -13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.207 6.498 -12.818 1.00 0.00 H new ATOM 367 N ILE A 29 1.392 9.564 -8.548 1.00 0.00 N ATOM 368 CA ILE A 29 2.465 10.259 -7.849 1.00 0.00 C ATOM 369 C ILE A 29 3.126 9.352 -6.816 1.00 0.00 C ATOM 370 O ILE A 29 4.311 9.040 -6.916 1.00 0.00 O ATOM 371 CB ILE A 29 1.950 11.528 -7.146 1.00 0.00 C ATOM 372 CG1 ILE A 29 1.373 12.507 -8.172 1.00 0.00 C ATOM 373 CG2 ILE A 29 3.069 12.185 -6.352 1.00 0.00 C ATOM 374 CD1 ILE A 29 -0.069 12.224 -8.531 1.00 0.00 C ATOM 0 H ILE A 29 0.504 9.546 -8.047 1.00 0.00 H new ATOM 0 HA ILE A 29 3.199 10.544 -8.602 1.00 0.00 H new ATOM 0 HB ILE A 29 1.157 11.245 -6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.449 13.520 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.979 12.471 -9.078 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.689 13.081 -5.861 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.439 11.488 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.882 12.457 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.412 12.956 -9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.149 11.223 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.686 12.289 -7.635 1.00 0.00 H new ATOM 386 N GLY A 30 2.348 8.930 -5.824 1.00 0.00 N ATOM 387 CA GLY A 30 2.874 8.061 -4.787 1.00 0.00 C ATOM 388 C GLY A 30 2.208 6.700 -4.778 1.00 0.00 C ATOM 389 O GLY A 30 1.815 6.200 -3.724 1.00 0.00 O ATOM 0 H GLY A 30 1.363 9.174 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.947 7.936 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.737 8.536 -3.815 1.00 0.00 H new ATOM 393 N SER A 31 2.080 6.098 -5.957 1.00 0.00 N ATOM 394 CA SER A 31 1.452 4.788 -6.082 1.00 0.00 C ATOM 395 C SER A 31 2.420 3.680 -5.676 1.00 0.00 C ATOM 396 O SER A 31 3.614 3.746 -5.971 1.00 0.00 O ATOM 397 CB SER A 31 0.974 4.563 -7.517 1.00 0.00 C ATOM 398 OG SER A 31 2.046 4.685 -8.437 1.00 0.00 O ATOM 0 H SER A 31 2.403 6.497 -6.839 1.00 0.00 H new ATOM 0 HA SER A 31 0.593 4.759 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.527 3.573 -7.604 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.196 5.286 -7.762 1.00 0.00 H new ATOM 0 HG SER A 31 1.810 4.237 -9.276 1.00 0.00 H new ATOM 404 N TRP A 32 1.897 2.665 -4.999 1.00 0.00 N ATOM 405 CA TRP A 32 2.714 1.542 -4.553 1.00 0.00 C ATOM 406 C TRP A 32 2.248 0.240 -5.195 1.00 0.00 C ATOM 407 O TRP A 32 1.081 -0.133 -5.083 1.00 0.00 O ATOM 408 CB TRP A 32 2.662 1.421 -3.029 1.00 0.00 C ATOM 409 CG TRP A 32 1.276 1.213 -2.497 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.389 2.180 -2.121 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.622 -0.042 -2.279 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.779 1.602 -1.683 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.661 0.241 -1.771 1.00 0.00 C ATOM 414 CE3 TRP A 32 0.994 -1.376 -2.466 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.571 -0.763 -1.448 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.090 -2.370 -2.144 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.180 -2.060 -1.640 1.00 0.00 C ATOM 0 H TRP A 32 0.911 2.596 -4.747 1.00 0.00 H new ATOM 0 HA TRP A 32 3.743 1.729 -4.861 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.292 0.589 -2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.082 2.324 -2.585 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.577 3.243 -2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.600 2.105 -1.347 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.970 -1.625 -2.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.551 -0.526 -1.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.367 -3.404 -2.283 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.864 -2.860 -1.398 1.00 0.00 H new ATOM 428 N GLU A 33 3.167 -0.446 -5.867 1.00 0.00 N ATOM 429 CA GLU A 33 2.848 -1.706 -6.527 1.00 0.00 C ATOM 430 C GLU A 33 2.639 -2.819 -5.503 1.00 0.00 C ATOM 431 O GLU A 33 3.339 -2.888 -4.493 1.00 0.00 O ATOM 432 CB GLU A 33 3.964 -2.096 -7.499 1.00 0.00 C ATOM 433 CG GLU A 33 3.710 -3.407 -8.222 1.00 0.00 C ATOM 434 CD GLU A 33 4.914 -3.879 -9.014 1.00 0.00 C ATOM 435 OE1 GLU A 33 5.968 -4.137 -8.395 1.00 0.00 O ATOM 436 OE2 GLU A 33 4.803 -3.991 -10.253 1.00 0.00 O ATOM 0 H GLU A 33 4.138 -0.150 -5.969 1.00 0.00 H new ATOM 0 HA GLU A 33 1.922 -1.570 -7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.086 -1.302 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.903 -2.169 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.436 -4.171 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.861 -3.288 -8.895 1.00 0.00 H new ATOM 443 N CYS A 34 1.670 -3.688 -5.772 1.00 0.00 N ATOM 444 CA CYS A 34 1.367 -4.797 -4.876 1.00 0.00 C ATOM 445 C CYS A 34 2.295 -5.979 -5.140 1.00 0.00 C ATOM 446 O CYS A 34 2.951 -6.047 -6.179 1.00 0.00 O ATOM 447 CB CYS A 34 -0.091 -5.231 -5.043 1.00 0.00 C ATOM 448 SG CYS A 34 -0.690 -6.347 -3.734 1.00 0.00 S ATOM 0 H CYS A 34 1.081 -3.645 -6.604 1.00 0.00 H new ATOM 0 HA CYS A 34 1.523 -4.457 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.723 -4.343 -5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.203 -5.727 -6.007 1.00 0.00 H new ATOM 453 N SER A 35 2.343 -6.909 -4.191 1.00 0.00 N ATOM 454 CA SER A 35 3.193 -8.087 -4.319 1.00 0.00 C ATOM 455 C SER A 35 2.354 -9.341 -4.545 1.00 0.00 C ATOM 456 O SER A 35 2.810 -10.306 -5.158 1.00 0.00 O ATOM 457 CB SER A 35 4.057 -8.257 -3.068 1.00 0.00 C ATOM 458 OG SER A 35 5.240 -7.482 -3.156 1.00 0.00 O ATOM 0 H SER A 35 1.804 -6.869 -3.326 1.00 0.00 H new ATOM 0 HA SER A 35 3.841 -7.944 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.489 -7.960 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.316 -9.308 -2.941 1.00 0.00 H new ATOM 0 HG SER A 35 5.774 -7.607 -2.344 1.00 0.00 H new ATOM 464 N VAL A 36 1.122 -9.319 -4.045 1.00 0.00 N ATOM 465 CA VAL A 36 0.217 -10.452 -4.192 1.00 0.00 C ATOM 466 C VAL A 36 -0.417 -10.472 -5.578 1.00 0.00 C ATOM 467 O VAL A 36 -0.286 -11.447 -6.319 1.00 0.00 O ATOM 468 CB VAL A 36 -0.898 -10.421 -3.130 1.00 0.00 C ATOM 469 CG1 VAL A 36 -2.092 -11.247 -3.585 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.373 -10.921 -1.792 1.00 0.00 C ATOM 0 H VAL A 36 0.728 -8.528 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 36 0.814 -11.354 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.227 -9.390 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.870 -11.213 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.481 -10.840 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.781 -12.280 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.174 -10.892 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.016 -11.945 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.448 -10.284 -1.462 1.00 0.00 H new ATOM 480 N CYS A 37 -1.106 -9.390 -5.923 1.00 0.00 N ATOM 481 CA CYS A 37 -1.762 -9.281 -7.221 1.00 0.00 C ATOM 482 C CYS A 37 -1.006 -8.320 -8.134 1.00 0.00 C ATOM 483 O CYS A 37 -1.195 -8.325 -9.351 1.00 0.00 O ATOM 484 CB CYS A 37 -3.206 -8.808 -7.048 1.00 0.00 C ATOM 485 SG CYS A 37 -3.360 -7.110 -6.405 1.00 0.00 S ATOM 0 H CYS A 37 -1.225 -8.575 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.763 -10.268 -7.683 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.715 -8.868 -8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.722 -9.490 -6.372 1.00 0.00 H new ATOM 490 N CYS A 38 -0.149 -7.498 -7.538 1.00 0.00 N ATOM 491 CA CYS A 38 0.636 -6.530 -8.297 1.00 0.00 C ATOM 492 C CYS A 38 -0.271 -5.521 -8.993 1.00 0.00 C ATOM 493 O CYS A 38 -0.043 -5.156 -10.146 1.00 0.00 O ATOM 494 CB CYS A 38 1.508 -7.247 -9.329 1.00 0.00 C ATOM 495 SG CYS A 38 2.898 -8.156 -8.616 1.00 0.00 S ATOM 0 H CYS A 38 0.020 -7.482 -6.532 1.00 0.00 H new ATOM 0 HA CYS A 38 1.278 -5.993 -7.599 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.886 -7.941 -9.895 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.893 -6.513 -10.037 1.00 0.00 H new ATOM 0 HG CYS A 38 3.270 -7.582 -7.510 1.00 0.00 H new ATOM 501 N VAL A 39 -1.303 -5.073 -8.284 1.00 0.00 N ATOM 502 CA VAL A 39 -2.246 -4.106 -8.834 1.00 0.00 C ATOM 503 C VAL A 39 -2.123 -2.758 -8.131 1.00 0.00 C ATOM 504 O VAL A 39 -2.016 -2.693 -6.906 1.00 0.00 O ATOM 505 CB VAL A 39 -3.698 -4.605 -8.712 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.672 -3.536 -9.182 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.885 -5.893 -9.500 1.00 0.00 C ATOM 0 H VAL A 39 -1.507 -5.364 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.998 -3.987 -9.889 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.906 -4.814 -7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.693 -3.907 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.554 -2.642 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.469 -3.292 -10.225 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.916 -6.232 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.659 -5.713 -10.551 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.213 -6.658 -9.111 1.00 0.00 H new ATOM 517 N SER A 40 -2.139 -1.685 -8.914 1.00 0.00 N ATOM 518 CA SER A 40 -2.026 -0.338 -8.368 1.00 0.00 C ATOM 519 C SER A 40 -3.105 -0.085 -7.319 1.00 0.00 C ATOM 520 O SER A 40 -4.170 -0.699 -7.348 1.00 0.00 O ATOM 521 CB SER A 40 -2.133 0.700 -9.486 1.00 0.00 C ATOM 522 OG SER A 40 -3.364 0.581 -10.177 1.00 0.00 O ATOM 0 H SER A 40 -2.229 -1.722 -9.929 1.00 0.00 H new ATOM 0 HA SER A 40 -1.050 -0.247 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.044 1.702 -9.066 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.306 0.573 -10.185 1.00 0.00 H new ATOM 0 HG SER A 40 -3.408 1.257 -10.885 1.00 0.00 H new ATOM 528 N ASN A 41 -2.819 0.825 -6.393 1.00 0.00 N ATOM 529 CA ASN A 41 -3.764 1.160 -5.334 1.00 0.00 C ATOM 530 C ASN A 41 -3.568 2.598 -4.865 1.00 0.00 C ATOM 531 O ASN A 41 -2.670 3.297 -5.331 1.00 0.00 O ATOM 532 CB ASN A 41 -3.601 0.200 -4.154 1.00 0.00 C ATOM 533 CG ASN A 41 -3.823 -1.247 -4.550 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.958 -1.681 -4.746 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.737 -2.001 -4.670 1.00 0.00 N ATOM 0 H ASN A 41 -1.941 1.343 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.772 1.062 -5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.601 0.310 -3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.307 0.471 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.824 -2.982 -4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.815 -1.599 -4.498 1.00 0.00 H new ATOM 542 N ASN A 42 -4.416 3.033 -3.938 1.00 0.00 N ATOM 543 CA ASN A 42 -4.336 4.388 -3.405 1.00 0.00 C ATOM 544 C ASN A 42 -3.172 4.521 -2.427 1.00 0.00 C ATOM 545 O ASN A 42 -3.058 3.751 -1.474 1.00 0.00 O ATOM 546 CB ASN A 42 -5.646 4.763 -2.709 1.00 0.00 C ATOM 547 CG ASN A 42 -6.865 4.338 -3.504 1.00 0.00 C ATOM 548 OD1 ASN A 42 -7.036 4.733 -4.658 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.720 3.530 -2.889 1.00 0.00 N ATOM 0 H ASN A 42 -5.166 2.467 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.167 5.070 -4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.677 4.297 -1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.675 5.841 -2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.559 3.211 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.538 3.228 -1.932 1.00 0.00 H new ATOM 556 N ALA A 43 -2.310 5.503 -2.671 1.00 0.00 N ATOM 557 CA ALA A 43 -1.156 5.738 -1.812 1.00 0.00 C ATOM 558 C ALA A 43 -1.567 5.792 -0.344 1.00 0.00 C ATOM 559 O ALA A 43 -0.981 5.113 0.498 1.00 0.00 O ATOM 560 CB ALA A 43 -0.453 7.026 -2.213 1.00 0.00 C ATOM 0 H ALA A 43 -2.389 6.149 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.464 4.905 -1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.407 7.189 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.117 6.950 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.144 7.863 -2.117 1.00 0.00 H new ATOM 566 N GLU A 44 -2.577 6.604 -0.046 1.00 0.00 N ATOM 567 CA GLU A 44 -3.064 6.746 1.321 1.00 0.00 C ATOM 568 C GLU A 44 -3.401 5.385 1.923 1.00 0.00 C ATOM 569 O GLU A 44 -3.091 5.114 3.083 1.00 0.00 O ATOM 570 CB GLU A 44 -4.297 7.651 1.354 1.00 0.00 C ATOM 571 CG GLU A 44 -4.058 9.029 0.759 1.00 0.00 C ATOM 572 CD GLU A 44 -2.751 9.644 1.220 1.00 0.00 C ATOM 573 OE1 GLU A 44 -2.746 10.298 2.284 1.00 0.00 O ATOM 574 OE2 GLU A 44 -1.734 9.473 0.516 1.00 0.00 O ATOM 0 H GLU A 44 -3.073 7.173 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.272 7.200 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.108 7.166 0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.627 7.763 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.057 8.956 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.882 9.687 1.034 1.00 0.00 H new ATOM 581 N ASP A 45 -4.038 4.534 1.126 1.00 0.00 N ATOM 582 CA ASP A 45 -4.418 3.201 1.579 1.00 0.00 C ATOM 583 C ASP A 45 -3.183 2.353 1.867 1.00 0.00 C ATOM 584 O ASP A 45 -2.392 2.066 0.969 1.00 0.00 O ATOM 585 CB ASP A 45 -5.292 2.512 0.530 1.00 0.00 C ATOM 586 CG ASP A 45 -6.747 2.928 0.626 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.085 4.021 0.124 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.547 2.162 1.203 1.00 0.00 O ATOM 0 H ASP A 45 -4.302 4.744 0.163 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.988 3.306 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.914 2.748 -0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.217 1.431 0.652 1.00 0.00 H new ATOM 593 N ASN A 46 -3.024 1.955 3.125 1.00 0.00 N ATOM 594 CA ASN A 46 -1.884 1.141 3.531 1.00 0.00 C ATOM 595 C ASN A 46 -2.132 -0.333 3.225 1.00 0.00 C ATOM 596 O ASN A 46 -1.434 -1.210 3.735 1.00 0.00 O ATOM 597 CB ASN A 46 -1.606 1.324 5.024 1.00 0.00 C ATOM 598 CG ASN A 46 -1.594 2.784 5.435 1.00 0.00 C ATOM 599 OD1 ASN A 46 -0.566 3.456 5.347 1.00 0.00 O ATOM 600 ND2 ASN A 46 -2.739 3.281 5.888 1.00 0.00 N ATOM 0 H ASN A 46 -3.670 2.183 3.881 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.014 1.470 2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.364 0.793 5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.645 0.872 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.791 4.257 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.566 2.687 5.944 1.00 0.00 H new ATOM 607 N LYS A 47 -3.130 -0.598 2.390 1.00 0.00 N ATOM 608 CA LYS A 47 -3.471 -1.965 2.013 1.00 0.00 C ATOM 609 C LYS A 47 -4.029 -2.016 0.595 1.00 0.00 C ATOM 610 O LYS A 47 -4.412 -0.991 0.031 1.00 0.00 O ATOM 611 CB LYS A 47 -4.490 -2.547 2.995 1.00 0.00 C ATOM 612 CG LYS A 47 -3.857 -3.232 4.195 1.00 0.00 C ATOM 613 CD LYS A 47 -4.807 -4.233 4.831 1.00 0.00 C ATOM 614 CE LYS A 47 -5.686 -3.576 5.884 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.903 -3.171 7.085 1.00 0.00 N ATOM 0 H LYS A 47 -3.718 0.116 1.961 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.560 -2.563 2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.142 -1.747 3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.120 -3.264 2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.945 -3.741 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.569 -2.483 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.434 -4.681 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.234 -5.041 5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.173 -2.700 5.456 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.475 -4.267 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.541 -3.081 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.181 -3.891 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.440 -2.257 6.905 1.00 0.00 H new ATOM 629 N CYS A 48 -4.074 -3.215 0.024 1.00 0.00 N ATOM 630 CA CYS A 48 -4.586 -3.400 -1.328 1.00 0.00 C ATOM 631 C CYS A 48 -6.104 -3.555 -1.318 1.00 0.00 C ATOM 632 O CYS A 48 -6.713 -3.748 -0.265 1.00 0.00 O ATOM 633 CB CYS A 48 -3.942 -4.627 -1.977 1.00 0.00 C ATOM 634 SG CYS A 48 -4.166 -4.717 -3.782 1.00 0.00 S ATOM 0 H CYS A 48 -3.762 -4.074 0.477 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.332 -2.514 -1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.875 -4.625 -1.754 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.361 -5.526 -1.524 1.00 0.00 H new ATOM 639 N VAL A 49 -6.710 -3.469 -2.498 1.00 0.00 N ATOM 640 CA VAL A 49 -8.157 -3.601 -2.626 1.00 0.00 C ATOM 641 C VAL A 49 -8.525 -4.814 -3.473 1.00 0.00 C ATOM 642 O VAL A 49 -9.591 -5.405 -3.299 1.00 0.00 O ATOM 643 CB VAL A 49 -8.782 -2.341 -3.254 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.504 -1.120 -2.391 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.258 -2.135 -4.668 1.00 0.00 C ATOM 0 H VAL A 49 -6.222 -3.309 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.554 -3.731 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.862 -2.480 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.953 -0.240 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.932 -1.270 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.427 -0.974 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.710 -1.241 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.175 -2.017 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.514 -3.000 -5.280 1.00 0.00 H new ATOM 655 N SER A 50 -7.636 -5.180 -4.391 1.00 0.00 N ATOM 656 CA SER A 50 -7.869 -6.321 -5.268 1.00 0.00 C ATOM 657 C SER A 50 -7.685 -7.634 -4.512 1.00 0.00 C ATOM 658 O SER A 50 -8.431 -8.592 -4.717 1.00 0.00 O ATOM 659 CB SER A 50 -6.919 -6.272 -6.466 1.00 0.00 C ATOM 660 OG SER A 50 -7.347 -7.152 -7.492 1.00 0.00 O ATOM 0 H SER A 50 -6.748 -4.703 -4.547 1.00 0.00 H new ATOM 0 HA SER A 50 -8.897 -6.269 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.869 -5.254 -6.853 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.912 -6.542 -6.147 1.00 0.00 H new ATOM 0 HG SER A 50 -6.724 -7.101 -8.247 1.00 0.00 H new ATOM 666 N CYS A 51 -6.686 -7.670 -3.636 1.00 0.00 N ATOM 667 CA CYS A 51 -6.402 -8.863 -2.849 1.00 0.00 C ATOM 668 C CYS A 51 -6.562 -8.582 -1.358 1.00 0.00 C ATOM 669 O CYS A 51 -6.742 -9.501 -0.558 1.00 0.00 O ATOM 670 CB CYS A 51 -4.984 -9.363 -3.135 1.00 0.00 C ATOM 671 SG CYS A 51 -3.675 -8.170 -2.709 1.00 0.00 S ATOM 0 H CYS A 51 -6.060 -6.886 -3.454 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.117 -9.635 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.816 -10.285 -2.578 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.904 -9.611 -4.193 1.00 0.00 H new ATOM 676 N MET A 52 -6.497 -7.306 -0.991 1.00 0.00 N ATOM 677 CA MET A 52 -6.636 -6.904 0.403 1.00 0.00 C ATOM 678 C MET A 52 -5.464 -7.414 1.236 1.00 0.00 C ATOM 679 O MET A 52 -5.655 -7.986 2.309 1.00 0.00 O ATOM 680 CB MET A 52 -7.953 -7.430 0.979 1.00 0.00 C ATOM 681 CG MET A 52 -9.174 -7.022 0.172 1.00 0.00 C ATOM 682 SD MET A 52 -9.839 -5.424 0.678 1.00 0.00 S ATOM 683 CE MET A 52 -11.167 -5.938 1.765 1.00 0.00 C ATOM 0 H MET A 52 -6.349 -6.533 -1.640 1.00 0.00 H new ATOM 0 HA MET A 52 -6.640 -5.815 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.909 -8.518 1.031 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.064 -7.066 2.000 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.910 -6.983 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.947 -7.783 0.280 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.676 -5.058 2.159 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.877 -6.549 1.208 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.757 -6.520 2.590 1.00 0.00 H new ATOM 693 N SER A 53 -4.251 -7.202 0.735 1.00 0.00 N ATOM 694 CA SER A 53 -3.049 -7.644 1.431 1.00 0.00 C ATOM 695 C SER A 53 -2.331 -6.464 2.078 1.00 0.00 C ATOM 696 O SER A 53 -2.592 -5.308 1.747 1.00 0.00 O ATOM 697 CB SER A 53 -2.106 -8.359 0.461 1.00 0.00 C ATOM 698 OG SER A 53 -1.314 -7.430 -0.258 1.00 0.00 O ATOM 0 H SER A 53 -4.075 -6.727 -0.150 1.00 0.00 H new ATOM 0 HA SER A 53 -3.348 -8.339 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.460 -9.041 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.686 -8.963 -0.236 1.00 0.00 H new ATOM 0 HG SER A 53 -1.681 -7.316 -1.160 1.00 0.00 H new ATOM 704 N GLU A 54 -1.425 -6.765 3.004 1.00 0.00 N ATOM 705 CA GLU A 54 -0.670 -5.729 3.699 1.00 0.00 C ATOM 706 C GLU A 54 0.411 -5.145 2.794 1.00 0.00 C ATOM 707 O GLU A 54 1.149 -5.878 2.136 1.00 0.00 O ATOM 708 CB GLU A 54 -0.036 -6.296 4.970 1.00 0.00 C ATOM 709 CG GLU A 54 -1.050 -6.737 6.012 1.00 0.00 C ATOM 710 CD GLU A 54 -0.444 -6.873 7.395 1.00 0.00 C ATOM 711 OE1 GLU A 54 0.515 -7.659 7.548 1.00 0.00 O ATOM 712 OE2 GLU A 54 -0.927 -6.194 8.325 1.00 0.00 O ATOM 0 H GLU A 54 -1.197 -7.717 3.290 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.361 -4.931 3.971 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.592 -7.146 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.617 -5.541 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.867 -6.016 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.481 -7.692 5.713 1.00 0.00 H new ATOM 719 N LYS A 55 0.498 -3.819 2.767 1.00 0.00 N ATOM 720 CA LYS A 55 1.489 -3.134 1.945 1.00 0.00 C ATOM 721 C LYS A 55 2.845 -3.101 2.642 1.00 0.00 C ATOM 722 O LYS A 55 2.945 -2.880 3.849 1.00 0.00 O ATOM 723 CB LYS A 55 1.027 -1.708 1.636 1.00 0.00 C ATOM 724 CG LYS A 55 2.003 -0.926 0.775 1.00 0.00 C ATOM 725 CD LYS A 55 1.634 0.547 0.711 1.00 0.00 C ATOM 726 CE LYS A 55 2.259 1.329 1.856 1.00 0.00 C ATOM 727 NZ LYS A 55 3.746 1.336 1.776 1.00 0.00 N ATOM 0 H LYS A 55 -0.106 -3.197 3.305 1.00 0.00 H new ATOM 0 HA LYS A 55 1.594 -3.686 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.062 -1.749 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.874 -1.174 2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.010 -1.032 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.016 -1.343 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.965 0.965 -0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.550 0.653 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.890 2.354 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.948 0.893 2.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.116 2.174 2.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.122 0.476 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.040 1.363 0.779 1.00 0.00 H new ATOM 741 N PRO A 56 3.916 -3.324 1.865 1.00 0.00 N ATOM 742 CA PRO A 56 5.286 -3.323 2.386 1.00 0.00 C ATOM 743 C PRO A 56 5.750 -1.929 2.794 1.00 0.00 C ATOM 744 O PRO A 56 5.219 -0.924 2.322 1.00 0.00 O ATOM 745 CB PRO A 56 6.115 -3.838 1.207 1.00 0.00 C ATOM 746 CG PRO A 56 5.313 -3.492 0.000 1.00 0.00 C ATOM 747 CD PRO A 56 3.872 -3.594 0.418 1.00 0.00 C ATOM 0 HA PRO A 56 5.379 -3.929 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.097 -3.367 1.178 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.279 -4.913 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.548 -2.487 -0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.530 -4.174 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.249 -2.870 -0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.461 -4.581 0.206 1.00 0.00 H new ATOM 755 N GLY A 57 6.744 -1.875 3.675 1.00 0.00 N ATOM 756 CA GLY A 57 7.263 -0.598 4.131 1.00 0.00 C ATOM 757 C GLY A 57 7.558 0.350 2.986 1.00 0.00 C ATOM 758 O GLY A 57 8.610 0.226 2.361 1.00 0.00 O ATOM 0 H GLY A 57 7.199 -2.692 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.541 -0.136 4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.174 -0.764 4.705 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.962 -6.692 -4.238 1.00 0.00 ZN