USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 15 THR OG1 : rot 69:sc= 0.0031 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.025 (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 0:sc= 0.626 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 16 THR OG1 : rot 180:sc= -2.09! 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+ 178:sc= 0 (180deg=-0.00595) 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 180:sc= -1.6 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3!) USER MOD Single : A 42 ASN : amide:sc= -1 K(o=-1,f=-0.079) 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 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -98:sc= 1.26 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.650 13.047 -5.226 1.00 0.00 N ATOM 2 CA GLY A 1 13.043 13.437 -5.348 1.00 0.00 C ATOM 3 C GLY A 1 13.943 12.268 -5.696 1.00 0.00 C ATOM 4 O GLY A 1 13.539 11.358 -6.419 1.00 0.00 O ATOM 0 H1 GLY A 1 11.053 13.728 -5.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.518 12.098 -5.631 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.379 13.036 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.136 14.205 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.376 13.882 -4.410 1.00 0.00 H new ATOM 8 N SER A 2 15.169 12.294 -5.181 1.00 0.00 N ATOM 9 CA SER A 2 16.131 11.231 -5.446 1.00 0.00 C ATOM 10 C SER A 2 15.600 9.885 -4.966 1.00 0.00 C ATOM 11 O SER A 2 15.000 9.788 -3.895 1.00 0.00 O ATOM 12 CB SER A 2 17.465 11.540 -4.762 1.00 0.00 C ATOM 13 OG SER A 2 18.522 10.802 -5.350 1.00 0.00 O ATOM 0 H SER A 2 15.519 13.039 -4.579 1.00 0.00 H new ATOM 0 HA SER A 2 16.287 11.176 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.677 12.607 -4.836 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.397 11.301 -3.701 1.00 0.00 H new ATOM 0 HG SER A 2 19.364 11.018 -4.897 1.00 0.00 H new ATOM 19 N SER A 3 15.824 8.847 -5.766 1.00 0.00 N ATOM 20 CA SER A 3 15.365 7.506 -5.425 1.00 0.00 C ATOM 21 C SER A 3 16.021 6.462 -6.325 1.00 0.00 C ATOM 22 O SER A 3 16.422 6.760 -7.449 1.00 0.00 O ATOM 23 CB SER A 3 13.843 7.418 -5.548 1.00 0.00 C ATOM 24 OG SER A 3 13.327 6.360 -4.759 1.00 0.00 O ATOM 0 H SER A 3 16.321 8.909 -6.655 1.00 0.00 H new ATOM 0 HA SER A 3 15.651 7.302 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.395 8.361 -5.235 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.568 7.265 -6.592 1.00 0.00 H new ATOM 0 HG SER A 3 12.352 6.326 -4.854 1.00 0.00 H new ATOM 30 N GLY A 4 16.126 5.237 -5.820 1.00 0.00 N ATOM 31 CA GLY A 4 16.733 4.167 -6.590 1.00 0.00 C ATOM 32 C GLY A 4 16.198 4.097 -8.007 1.00 0.00 C ATOM 33 O GLY A 4 16.965 4.138 -8.969 1.00 0.00 O ATOM 0 H GLY A 4 15.802 4.966 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.813 4.312 -6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.553 3.216 -6.089 1.00 0.00 H new ATOM 37 N SER A 5 14.880 3.989 -8.136 1.00 0.00 N ATOM 38 CA SER A 5 14.244 3.907 -9.446 1.00 0.00 C ATOM 39 C SER A 5 14.879 2.806 -10.290 1.00 0.00 C ATOM 40 O SER A 5 15.037 2.952 -11.502 1.00 0.00 O ATOM 41 CB SER A 5 14.351 5.249 -10.172 1.00 0.00 C ATOM 42 OG SER A 5 15.691 5.524 -10.542 1.00 0.00 O ATOM 0 H SER A 5 14.231 3.956 -7.350 1.00 0.00 H new ATOM 0 HA SER A 5 13.192 3.665 -9.298 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.720 5.236 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.978 6.045 -9.528 1.00 0.00 H new ATOM 0 HG SER A 5 16.268 4.786 -10.254 1.00 0.00 H new ATOM 48 N SER A 6 15.241 1.705 -9.640 1.00 0.00 N ATOM 49 CA SER A 6 15.863 0.580 -10.329 1.00 0.00 C ATOM 50 C SER A 6 15.668 -0.713 -9.544 1.00 0.00 C ATOM 51 O SER A 6 15.605 -0.703 -8.315 1.00 0.00 O ATOM 52 CB SER A 6 17.356 0.844 -10.537 1.00 0.00 C ATOM 53 OG SER A 6 18.006 -0.297 -11.070 1.00 0.00 O ATOM 0 H SER A 6 15.114 1.568 -8.637 1.00 0.00 H new ATOM 0 HA SER A 6 15.382 0.470 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.488 1.690 -11.211 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.816 1.118 -9.588 1.00 0.00 H new ATOM 0 HG SER A 6 18.958 -0.102 -11.195 1.00 0.00 H new ATOM 59 N GLY A 7 15.573 -1.827 -10.264 1.00 0.00 N ATOM 60 CA GLY A 7 15.386 -3.113 -9.619 1.00 0.00 C ATOM 61 C GLY A 7 15.631 -4.275 -10.561 1.00 0.00 C ATOM 62 O GLY A 7 16.520 -4.218 -11.410 1.00 0.00 O ATOM 0 H GLY A 7 15.622 -1.861 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.062 -3.191 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.371 -3.175 -9.227 1.00 0.00 H new ATOM 66 N SER A 8 14.842 -5.334 -10.410 1.00 0.00 N ATOM 67 CA SER A 8 14.981 -6.517 -11.250 1.00 0.00 C ATOM 68 C SER A 8 13.628 -6.949 -11.808 1.00 0.00 C ATOM 69 O SER A 8 12.647 -7.059 -11.073 1.00 0.00 O ATOM 70 CB SER A 8 15.607 -7.664 -10.454 1.00 0.00 C ATOM 71 OG SER A 8 15.533 -8.883 -11.173 1.00 0.00 O ATOM 0 H SER A 8 14.100 -5.397 -9.713 1.00 0.00 H new ATOM 0 HA SER A 8 15.635 -6.265 -12.085 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.649 -7.431 -10.233 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.094 -7.770 -9.498 1.00 0.00 H new ATOM 0 HG SER A 8 15.941 -9.600 -10.644 1.00 0.00 H new ATOM 77 N SER A 9 13.584 -7.194 -13.114 1.00 0.00 N ATOM 78 CA SER A 9 12.352 -7.610 -13.773 1.00 0.00 C ATOM 79 C SER A 9 12.639 -8.150 -15.171 1.00 0.00 C ATOM 80 O SER A 9 13.631 -7.781 -15.799 1.00 0.00 O ATOM 81 CB SER A 9 11.373 -6.438 -13.858 1.00 0.00 C ATOM 82 OG SER A 9 10.197 -6.805 -14.558 1.00 0.00 O ATOM 0 H SER A 9 14.388 -7.111 -13.736 1.00 0.00 H new ATOM 0 HA SER A 9 11.903 -8.407 -13.180 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.113 -6.104 -12.854 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.851 -5.597 -14.360 1.00 0.00 H new ATOM 0 HG SER A 9 9.587 -6.039 -14.597 1.00 0.00 H new ATOM 88 N SER A 10 11.763 -9.027 -15.651 1.00 0.00 N ATOM 89 CA SER A 10 11.923 -9.622 -16.973 1.00 0.00 C ATOM 90 C SER A 10 12.079 -8.542 -18.039 1.00 0.00 C ATOM 91 O SER A 10 13.102 -8.468 -18.719 1.00 0.00 O ATOM 92 CB SER A 10 10.724 -10.512 -17.304 1.00 0.00 C ATOM 93 OG SER A 10 10.894 -11.815 -16.773 1.00 0.00 O ATOM 0 H SER A 10 10.935 -9.341 -15.144 1.00 0.00 H new ATOM 0 HA SER A 10 12.826 -10.232 -16.963 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.814 -10.067 -16.900 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.598 -10.570 -18.385 1.00 0.00 H new ATOM 0 HG SER A 10 10.114 -12.364 -16.997 1.00 0.00 H new ATOM 99 N SER A 11 11.055 -7.705 -18.179 1.00 0.00 N ATOM 100 CA SER A 11 11.075 -6.631 -19.165 1.00 0.00 C ATOM 101 C SER A 11 9.989 -5.602 -18.869 1.00 0.00 C ATOM 102 O SER A 11 9.017 -5.892 -18.170 1.00 0.00 O ATOM 103 CB SER A 11 10.884 -7.199 -20.573 1.00 0.00 C ATOM 104 OG SER A 11 9.555 -7.650 -20.766 1.00 0.00 O ATOM 0 H SER A 11 10.202 -7.750 -17.622 1.00 0.00 H new ATOM 0 HA SER A 11 12.045 -6.137 -19.108 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.123 -6.434 -21.312 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.578 -8.024 -20.733 1.00 0.00 H new ATOM 0 HG SER A 11 9.459 -8.006 -21.674 1.00 0.00 H new ATOM 110 N CYS A 12 10.161 -4.399 -19.405 1.00 0.00 N ATOM 111 CA CYS A 12 9.196 -3.324 -19.198 1.00 0.00 C ATOM 112 C CYS A 12 8.180 -3.279 -20.334 1.00 0.00 C ATOM 113 O CYS A 12 8.542 -3.114 -21.500 1.00 0.00 O ATOM 114 CB CYS A 12 9.916 -1.979 -19.087 1.00 0.00 C ATOM 115 SG CYS A 12 10.651 -1.667 -17.465 1.00 0.00 S ATOM 0 H CYS A 12 10.959 -4.143 -19.986 1.00 0.00 H new ATOM 0 HA CYS A 12 8.664 -3.521 -18.267 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.699 -1.935 -19.844 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.209 -1.181 -19.313 1.00 0.00 H new ATOM 0 HG CYS A 12 11.238 -0.507 -17.471 1.00 0.00 H new ATOM 121 N THR A 13 6.905 -3.428 -19.988 1.00 0.00 N ATOM 122 CA THR A 13 5.837 -3.407 -20.979 1.00 0.00 C ATOM 123 C THR A 13 4.714 -2.466 -20.558 1.00 0.00 C ATOM 124 O THR A 13 4.380 -2.371 -19.377 1.00 0.00 O ATOM 125 CB THR A 13 5.253 -4.815 -21.205 1.00 0.00 C ATOM 126 OG1 THR A 13 4.963 -5.433 -19.946 1.00 0.00 O ATOM 127 CG2 THR A 13 6.223 -5.684 -21.991 1.00 0.00 C ATOM 0 H THR A 13 6.587 -3.565 -19.028 1.00 0.00 H new ATOM 0 HA THR A 13 6.277 -3.050 -21.910 1.00 0.00 H new ATOM 0 HB THR A 13 4.333 -4.714 -21.780 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.591 -6.327 -20.098 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.789 -6.673 -22.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.418 -5.226 -22.961 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.158 -5.777 -21.439 1.00 0.00 H new ATOM 135 N VAL A 14 4.135 -1.770 -21.531 1.00 0.00 N ATOM 136 CA VAL A 14 3.048 -0.836 -21.261 1.00 0.00 C ATOM 137 C VAL A 14 1.837 -1.557 -20.680 1.00 0.00 C ATOM 138 O VAL A 14 1.238 -1.101 -19.704 1.00 0.00 O ATOM 139 CB VAL A 14 2.622 -0.087 -22.537 1.00 0.00 C ATOM 140 CG1 VAL A 14 2.262 -1.071 -23.640 1.00 0.00 C ATOM 141 CG2 VAL A 14 1.458 0.847 -22.243 1.00 0.00 C ATOM 0 H VAL A 14 4.400 -1.835 -22.514 1.00 0.00 H new ATOM 0 HA VAL A 14 3.422 -0.115 -20.534 1.00 0.00 H new ATOM 0 HB VAL A 14 3.463 0.515 -22.881 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.964 -0.523 -24.534 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.127 -1.694 -23.868 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.437 -1.702 -23.309 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.170 1.368 -23.156 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.612 0.268 -21.873 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.757 1.575 -21.489 1.00 0.00 H new ATOM 151 N THR A 15 1.479 -2.685 -21.284 1.00 0.00 N ATOM 152 CA THR A 15 0.339 -3.469 -20.828 1.00 0.00 C ATOM 153 C THR A 15 -0.969 -2.720 -21.055 1.00 0.00 C ATOM 154 O THR A 15 -1.839 -2.688 -20.184 1.00 0.00 O ATOM 155 CB THR A 15 0.462 -3.822 -19.333 1.00 0.00 C ATOM 156 OG1 THR A 15 1.747 -4.396 -19.070 1.00 0.00 O ATOM 157 CG2 THR A 15 -0.629 -4.796 -18.916 1.00 0.00 C ATOM 0 H THR A 15 1.963 -3.077 -22.092 1.00 0.00 H new ATOM 0 HA THR A 15 0.334 -4.389 -21.412 1.00 0.00 H new ATOM 0 HB THR A 15 0.349 -2.905 -18.755 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.439 -3.709 -19.168 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.522 -5.031 -17.857 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.606 -4.345 -19.091 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.542 -5.712 -19.501 1.00 0.00 H new ATOM 165 N THR A 16 -1.104 -2.118 -22.233 1.00 0.00 N ATOM 166 CA THR A 16 -2.307 -1.369 -22.575 1.00 0.00 C ATOM 167 C THR A 16 -2.870 -1.818 -23.918 1.00 0.00 C ATOM 168 O THR A 16 -2.139 -1.942 -24.899 1.00 0.00 O ATOM 169 CB THR A 16 -2.029 0.145 -22.627 1.00 0.00 C ATOM 170 OG1 THR A 16 -1.383 0.566 -21.421 1.00 0.00 O ATOM 171 CG2 THR A 16 -3.321 0.926 -22.816 1.00 0.00 C ATOM 0 H THR A 16 -0.395 -2.135 -22.966 1.00 0.00 H new ATOM 0 HA THR A 16 -3.039 -1.570 -21.792 1.00 0.00 H new ATOM 0 HB THR A 16 -1.376 0.343 -23.477 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.208 1.529 -21.463 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.100 1.993 -22.850 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.795 0.624 -23.750 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.995 0.721 -21.984 1.00 0.00 H new ATOM 179 N GLY A 17 -4.178 -2.059 -23.956 1.00 0.00 N ATOM 180 CA GLY A 17 -4.817 -2.491 -25.185 1.00 0.00 C ATOM 181 C GLY A 17 -5.414 -1.336 -25.964 1.00 0.00 C ATOM 182 O GLY A 17 -4.797 -0.278 -26.094 1.00 0.00 O ATOM 0 H GLY A 17 -4.805 -1.963 -23.158 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.087 -3.007 -25.809 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.601 -3.211 -24.950 1.00 0.00 H new ATOM 186 N THR A 18 -6.620 -1.538 -26.487 1.00 0.00 N ATOM 187 CA THR A 18 -7.300 -0.506 -27.261 1.00 0.00 C ATOM 188 C THR A 18 -8.464 0.090 -26.478 1.00 0.00 C ATOM 189 O THR A 18 -9.342 0.738 -27.049 1.00 0.00 O ATOM 190 CB THR A 18 -7.825 -1.061 -28.598 1.00 0.00 C ATOM 191 OG1 THR A 18 -8.702 -2.168 -28.358 1.00 0.00 O ATOM 192 CG2 THR A 18 -6.675 -1.503 -29.490 1.00 0.00 C ATOM 0 H THR A 18 -7.146 -2.407 -26.389 1.00 0.00 H new ATOM 0 HA THR A 18 -6.565 0.273 -27.464 1.00 0.00 H new ATOM 0 HB THR A 18 -8.373 -0.267 -29.106 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.033 -2.514 -29.213 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.071 -1.891 -30.428 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.025 -0.652 -29.695 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.103 -2.283 -28.987 1.00 0.00 H new ATOM 200 N LEU A 19 -8.466 -0.132 -25.168 1.00 0.00 N ATOM 201 CA LEU A 19 -9.523 0.384 -24.306 1.00 0.00 C ATOM 202 C LEU A 19 -9.638 1.900 -24.433 1.00 0.00 C ATOM 203 O LEU A 19 -10.737 2.444 -24.530 1.00 0.00 O ATOM 204 CB LEU A 19 -9.253 0.002 -22.850 1.00 0.00 C ATOM 205 CG LEU A 19 -9.147 -1.495 -22.557 1.00 0.00 C ATOM 206 CD1 LEU A 19 -8.763 -1.730 -21.105 1.00 0.00 C ATOM 207 CD2 LEU A 19 -10.458 -2.196 -22.884 1.00 0.00 C ATOM 0 H LEU A 19 -7.747 -0.666 -24.680 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.466 -0.061 -24.623 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.325 0.480 -22.536 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.050 0.417 -22.233 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.365 -1.915 -23.190 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.693 -2.801 -20.916 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.800 -1.262 -20.903 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.521 -1.296 -20.453 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.365 -3.261 -22.670 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.258 -1.772 -22.277 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.691 -2.058 -23.940 1.00 0.00 H new ATOM 219 N GLY A 20 -8.493 2.577 -24.433 1.00 0.00 N ATOM 220 CA GLY A 20 -8.487 4.023 -24.551 1.00 0.00 C ATOM 221 C GLY A 20 -7.252 4.542 -25.260 1.00 0.00 C ATOM 222 O GLY A 20 -6.202 3.899 -25.245 1.00 0.00 O ATOM 0 H GLY A 20 -7.570 2.150 -24.353 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.376 4.344 -25.094 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.544 4.466 -23.557 1.00 0.00 H new ATOM 226 N PHE A 21 -7.376 5.708 -25.886 1.00 0.00 N ATOM 227 CA PHE A 21 -6.262 6.312 -26.607 1.00 0.00 C ATOM 228 C PHE A 21 -4.970 6.203 -25.801 1.00 0.00 C ATOM 229 O PHE A 21 -3.916 5.868 -26.340 1.00 0.00 O ATOM 230 CB PHE A 21 -6.562 7.780 -26.915 1.00 0.00 C ATOM 231 CG PHE A 21 -7.239 8.503 -25.786 1.00 0.00 C ATOM 232 CD1 PHE A 21 -6.493 9.132 -24.802 1.00 0.00 C ATOM 233 CD2 PHE A 21 -8.621 8.556 -25.709 1.00 0.00 C ATOM 234 CE1 PHE A 21 -7.114 9.797 -23.761 1.00 0.00 C ATOM 235 CE2 PHE A 21 -9.248 9.220 -24.672 1.00 0.00 C ATOM 236 CZ PHE A 21 -8.492 9.842 -23.697 1.00 0.00 C ATOM 0 H PHE A 21 -8.238 6.254 -25.908 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.132 5.771 -27.544 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.629 8.290 -27.155 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.193 7.835 -27.802 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.414 9.102 -24.849 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.216 8.072 -26.469 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.521 10.281 -22.999 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.326 9.253 -24.624 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.979 10.363 -22.886 1.00 0.00 H new ATOM 246 N GLY A 22 -5.062 6.489 -24.506 1.00 0.00 N ATOM 247 CA GLY A 22 -3.894 6.419 -23.647 1.00 0.00 C ATOM 248 C GLY A 22 -4.164 6.960 -22.257 1.00 0.00 C ATOM 249 O GLY A 22 -5.166 7.639 -22.031 1.00 0.00 O ATOM 0 H GLY A 22 -5.924 6.768 -24.037 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.563 5.383 -23.573 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.079 6.982 -24.101 1.00 0.00 H new ATOM 253 N ASP A 23 -3.269 6.658 -21.322 1.00 0.00 N ATOM 254 CA ASP A 23 -3.416 7.119 -19.946 1.00 0.00 C ATOM 255 C ASP A 23 -2.946 8.563 -19.804 1.00 0.00 C ATOM 256 O ASP A 23 -2.368 9.134 -20.729 1.00 0.00 O ATOM 257 CB ASP A 23 -2.625 6.217 -18.997 1.00 0.00 C ATOM 258 CG ASP A 23 -2.847 6.573 -17.541 1.00 0.00 C ATOM 259 OD1 ASP A 23 -3.965 7.015 -17.201 1.00 0.00 O ATOM 260 OD2 ASP A 23 -1.903 6.410 -16.740 1.00 0.00 O ATOM 0 H ASP A 23 -2.435 6.096 -21.492 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.473 7.072 -19.684 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.913 5.179 -19.162 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.563 6.293 -19.229 1.00 0.00 H new ATOM 265 N LYS A 24 -3.201 9.151 -18.640 1.00 0.00 N ATOM 266 CA LYS A 24 -2.805 10.529 -18.375 1.00 0.00 C ATOM 267 C LYS A 24 -1.308 10.621 -18.094 1.00 0.00 C ATOM 268 O LYS A 24 -0.616 11.479 -18.641 1.00 0.00 O ATOM 269 CB LYS A 24 -3.592 11.088 -17.188 1.00 0.00 C ATOM 270 CG LYS A 24 -4.937 11.679 -17.574 1.00 0.00 C ATOM 271 CD LYS A 24 -5.851 11.821 -16.368 1.00 0.00 C ATOM 272 CE LYS A 24 -7.065 12.680 -16.687 1.00 0.00 C ATOM 273 NZ LYS A 24 -6.796 14.127 -16.459 1.00 0.00 N ATOM 0 H LYS A 24 -3.681 8.694 -17.864 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.027 11.121 -19.263 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.750 10.292 -16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.995 11.856 -16.696 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.788 12.655 -18.035 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.414 11.044 -18.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.178 10.834 -16.040 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.297 12.265 -15.541 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.357 12.524 -17.725 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.905 12.365 -16.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.647 14.679 -16.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.542 14.280 -15.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.011 14.434 -17.068 1.00 0.00 H new ATOM 287 N PHE A 25 -0.815 9.730 -17.240 1.00 0.00 N ATOM 288 CA PHE A 25 0.600 9.710 -16.888 1.00 0.00 C ATOM 289 C PHE A 25 1.160 8.293 -16.966 1.00 0.00 C ATOM 290 O PHE A 25 0.662 7.379 -16.309 1.00 0.00 O ATOM 291 CB PHE A 25 0.805 10.276 -15.481 1.00 0.00 C ATOM 292 CG PHE A 25 0.890 11.775 -15.444 1.00 0.00 C ATOM 293 CD1 PHE A 25 -0.174 12.553 -15.872 1.00 0.00 C ATOM 294 CD2 PHE A 25 2.033 12.406 -14.981 1.00 0.00 C ATOM 295 CE1 PHE A 25 -0.098 13.932 -15.839 1.00 0.00 C ATOM 296 CE2 PHE A 25 2.115 13.785 -14.946 1.00 0.00 C ATOM 297 CZ PHE A 25 1.047 14.549 -15.375 1.00 0.00 C ATOM 0 H PHE A 25 -1.374 9.012 -16.779 1.00 0.00 H new ATOM 0 HA PHE A 25 1.136 10.333 -17.604 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.018 9.951 -14.844 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.719 9.858 -15.059 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.072 12.076 -16.235 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.870 11.813 -14.643 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.934 14.527 -16.176 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.012 14.265 -14.584 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.107 15.627 -15.348 1.00 0.00 H new ATOM 307 N LYS A 26 2.200 8.118 -17.774 1.00 0.00 N ATOM 308 CA LYS A 26 2.830 6.814 -17.939 1.00 0.00 C ATOM 309 C LYS A 26 3.134 6.181 -16.585 1.00 0.00 C ATOM 310 O LYS A 26 2.801 5.020 -16.343 1.00 0.00 O ATOM 311 CB LYS A 26 4.120 6.947 -18.752 1.00 0.00 C ATOM 312 CG LYS A 26 3.906 6.850 -20.253 1.00 0.00 C ATOM 313 CD LYS A 26 3.514 5.442 -20.670 1.00 0.00 C ATOM 314 CE LYS A 26 3.251 5.358 -22.166 1.00 0.00 C ATOM 315 NZ LYS A 26 4.509 5.462 -22.957 1.00 0.00 N ATOM 0 H LYS A 26 2.625 8.864 -18.325 1.00 0.00 H new ATOM 0 HA LYS A 26 2.134 6.168 -18.475 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.588 7.904 -18.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.817 6.168 -18.442 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.128 7.550 -20.557 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.819 7.143 -20.771 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.308 4.747 -20.399 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.622 5.135 -20.125 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.755 4.415 -22.395 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.570 6.156 -22.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.291 5.367 -23.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.952 6.387 -22.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.163 4.706 -22.671 1.00 0.00 H new ATOM 329 N ARG A 27 3.765 6.951 -15.705 1.00 0.00 N ATOM 330 CA ARG A 27 4.112 6.465 -14.375 1.00 0.00 C ATOM 331 C ARG A 27 3.146 7.010 -13.328 1.00 0.00 C ATOM 332 O ARG A 27 2.553 8.077 -13.489 1.00 0.00 O ATOM 333 CB ARG A 27 5.545 6.867 -14.020 1.00 0.00 C ATOM 334 CG ARG A 27 5.776 8.369 -14.029 1.00 0.00 C ATOM 335 CD ARG A 27 7.255 8.705 -14.140 1.00 0.00 C ATOM 336 NE ARG A 27 7.519 10.115 -13.865 1.00 0.00 N ATOM 337 CZ ARG A 27 7.425 11.072 -14.781 1.00 0.00 C ATOM 338 NH1 ARG A 27 7.076 10.773 -16.024 1.00 0.00 N ATOM 339 NH2 ARG A 27 7.681 12.332 -14.453 1.00 0.00 N ATOM 0 H ARG A 27 4.046 7.914 -15.889 1.00 0.00 H new ATOM 0 HA ARG A 27 4.038 5.378 -14.382 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.789 6.476 -13.032 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.230 6.398 -14.726 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.237 8.816 -14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.370 8.806 -13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.820 8.088 -13.442 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.608 8.459 -15.141 1.00 0.00 H new ATOM 0 HE ARG A 27 7.790 10.379 -12.918 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.879 9.805 -16.280 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.005 11.510 -16.725 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.950 12.566 -13.497 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.609 13.067 -15.157 1.00 0.00 H new ATOM 353 N PRO A 28 2.981 6.260 -12.227 1.00 0.00 N ATOM 354 CA PRO A 28 2.087 6.648 -11.132 1.00 0.00 C ATOM 355 C PRO A 28 2.611 7.850 -10.354 1.00 0.00 C ATOM 356 O PRO A 28 3.816 8.104 -10.323 1.00 0.00 O ATOM 357 CB PRO A 28 2.059 5.404 -10.240 1.00 0.00 C ATOM 358 CG PRO A 28 3.346 4.708 -10.521 1.00 0.00 C ATOM 359 CD PRO A 28 3.655 4.978 -11.968 1.00 0.00 C ATOM 0 HA PRO A 28 1.105 6.951 -11.495 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.976 5.674 -9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.205 4.768 -10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.141 5.082 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.260 3.638 -10.333 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.729 5.046 -12.144 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.275 4.187 -12.614 1.00 0.00 H new ATOM 367 N ILE A 29 1.700 8.586 -9.727 1.00 0.00 N ATOM 368 CA ILE A 29 2.071 9.760 -8.947 1.00 0.00 C ATOM 369 C ILE A 29 2.822 9.365 -7.680 1.00 0.00 C ATOM 370 O ILE A 29 3.971 9.756 -7.479 1.00 0.00 O ATOM 371 CB ILE A 29 0.835 10.593 -8.559 1.00 0.00 C ATOM 372 CG1 ILE A 29 0.094 11.062 -9.813 1.00 0.00 C ATOM 373 CG2 ILE A 29 1.244 11.782 -7.703 1.00 0.00 C ATOM 374 CD1 ILE A 29 0.981 11.781 -10.805 1.00 0.00 C ATOM 0 H ILE A 29 0.699 8.390 -9.744 1.00 0.00 H new ATOM 0 HA ILE A 29 2.722 10.364 -9.579 1.00 0.00 H new ATOM 0 HB ILE A 29 0.162 9.965 -7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.359 10.199 -10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.719 11.725 -9.518 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.359 12.360 -7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.731 11.426 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.935 12.412 -8.262 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.389 12.085 -11.669 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.414 12.663 -10.333 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.780 11.114 -11.129 1.00 0.00 H new ATOM 386 N GLY A 30 2.165 8.583 -6.829 1.00 0.00 N ATOM 387 CA GLY A 30 2.786 8.145 -5.593 1.00 0.00 C ATOM 388 C GLY A 30 2.161 6.876 -5.048 1.00 0.00 C ATOM 389 O GLY A 30 2.004 6.724 -3.837 1.00 0.00 O ATOM 0 H GLY A 30 1.214 8.245 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.850 7.978 -5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.703 8.936 -4.848 1.00 0.00 H new ATOM 393 N SER A 31 1.802 5.963 -5.944 1.00 0.00 N ATOM 394 CA SER A 31 1.186 4.702 -5.547 1.00 0.00 C ATOM 395 C SER A 31 2.248 3.668 -5.186 1.00 0.00 C ATOM 396 O SER A 31 3.446 3.919 -5.321 1.00 0.00 O ATOM 397 CB SER A 31 0.299 4.167 -6.672 1.00 0.00 C ATOM 398 OG SER A 31 -0.588 5.167 -7.142 1.00 0.00 O ATOM 0 H SER A 31 1.927 6.073 -6.950 1.00 0.00 H new ATOM 0 HA SER A 31 0.571 4.888 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.922 3.814 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.271 3.310 -6.313 1.00 0.00 H new ATOM 0 HG SER A 31 -1.143 4.800 -7.862 1.00 0.00 H new ATOM 404 N TRP A 32 1.800 2.506 -4.726 1.00 0.00 N ATOM 405 CA TRP A 32 2.711 1.432 -4.345 1.00 0.00 C ATOM 406 C TRP A 32 2.298 0.113 -4.988 1.00 0.00 C ATOM 407 O TRP A 32 1.214 -0.404 -4.721 1.00 0.00 O ATOM 408 CB TRP A 32 2.748 1.283 -2.823 1.00 0.00 C ATOM 409 CG TRP A 32 1.389 1.145 -2.207 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.532 2.157 -1.877 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.731 -0.074 -1.846 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.618 1.640 -1.332 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.522 0.273 -1.303 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.077 -1.425 -1.930 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.426 -0.682 -0.846 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.179 -2.372 -1.476 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.061 -1.998 -0.941 1.00 0.00 C ATOM 0 H TRP A 32 0.812 2.283 -4.608 1.00 0.00 H new ATOM 0 HA TRP A 32 3.708 1.691 -4.702 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.346 0.409 -2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.248 2.150 -2.392 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.730 3.209 -2.023 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.415 2.185 -1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.029 -1.724 -2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.381 -0.395 -0.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.437 -3.419 -1.535 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.742 -2.763 -0.597 1.00 0.00 H new ATOM 428 N GLU A 33 3.169 -0.426 -5.836 1.00 0.00 N ATOM 429 CA GLU A 33 2.892 -1.685 -6.517 1.00 0.00 C ATOM 430 C GLU A 33 2.741 -2.825 -5.513 1.00 0.00 C ATOM 431 O GLU A 33 3.604 -3.033 -4.659 1.00 0.00 O ATOM 432 CB GLU A 33 4.009 -2.010 -7.510 1.00 0.00 C ATOM 433 CG GLU A 33 3.771 -3.287 -8.298 1.00 0.00 C ATOM 434 CD GLU A 33 4.909 -3.609 -9.246 1.00 0.00 C ATOM 435 OE1 GLU A 33 4.970 -2.992 -10.331 1.00 0.00 O ATOM 436 OE2 GLU A 33 5.740 -4.477 -8.904 1.00 0.00 O ATOM 0 H GLU A 33 4.071 -0.011 -6.067 1.00 0.00 H new ATOM 0 HA GLU A 33 1.953 -1.576 -7.060 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.118 -1.178 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.951 -2.098 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.635 -4.117 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.846 -3.191 -8.866 1.00 0.00 H new ATOM 443 N CYS A 34 1.639 -3.559 -5.621 1.00 0.00 N ATOM 444 CA CYS A 34 1.372 -4.676 -4.724 1.00 0.00 C ATOM 445 C CYS A 34 2.294 -5.853 -5.032 1.00 0.00 C ATOM 446 O CYS A 34 2.913 -5.908 -6.095 1.00 0.00 O ATOM 447 CB CYS A 34 -0.089 -5.114 -4.841 1.00 0.00 C ATOM 448 SG CYS A 34 -0.596 -6.350 -3.602 1.00 0.00 S ATOM 0 H CYS A 34 0.916 -3.400 -6.322 1.00 0.00 H new ATOM 0 HA CYS A 34 1.564 -4.344 -3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.729 -4.237 -4.746 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.256 -5.524 -5.837 1.00 0.00 H new ATOM 453 N SER A 35 2.379 -6.792 -4.095 1.00 0.00 N ATOM 454 CA SER A 35 3.227 -7.966 -4.264 1.00 0.00 C ATOM 455 C SER A 35 2.384 -9.214 -4.508 1.00 0.00 C ATOM 456 O SER A 35 2.803 -10.132 -5.213 1.00 0.00 O ATOM 457 CB SER A 35 4.110 -8.166 -3.031 1.00 0.00 C ATOM 458 OG SER A 35 4.889 -7.012 -2.769 1.00 0.00 O ATOM 0 H SER A 35 1.871 -6.763 -3.211 1.00 0.00 H new ATOM 0 HA SER A 35 3.863 -7.802 -5.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.486 -8.392 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.765 -9.024 -3.184 1.00 0.00 H new ATOM 0 HG SER A 35 5.443 -7.165 -1.975 1.00 0.00 H new ATOM 464 N VAL A 36 1.193 -9.241 -3.920 1.00 0.00 N ATOM 465 CA VAL A 36 0.289 -10.375 -4.073 1.00 0.00 C ATOM 466 C VAL A 36 -0.330 -10.399 -5.465 1.00 0.00 C ATOM 467 O VAL A 36 -0.169 -11.366 -6.212 1.00 0.00 O ATOM 468 CB VAL A 36 -0.837 -10.341 -3.022 1.00 0.00 C ATOM 469 CG1 VAL A 36 -2.005 -11.210 -3.463 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.313 -10.787 -1.666 1.00 0.00 C ATOM 0 H VAL A 36 0.831 -8.490 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 36 0.884 -11.277 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.193 -9.315 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.791 -11.174 -2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.395 -10.841 -4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.667 -12.239 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.122 -10.757 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.071 -11.805 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.488 -10.120 -1.348 1.00 0.00 H new ATOM 480 N CYS A 37 -1.040 -9.330 -5.810 1.00 0.00 N ATOM 481 CA CYS A 37 -1.685 -9.228 -7.114 1.00 0.00 C ATOM 482 C CYS A 37 -0.923 -8.269 -8.024 1.00 0.00 C ATOM 483 O CYS A 37 -1.005 -8.363 -9.249 1.00 0.00 O ATOM 484 CB CYS A 37 -3.132 -8.756 -6.955 1.00 0.00 C ATOM 485 SG CYS A 37 -3.295 -7.083 -6.252 1.00 0.00 S ATOM 0 H CYS A 37 -1.183 -8.522 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.681 -10.217 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.619 -8.778 -7.930 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.665 -9.461 -6.316 1.00 0.00 H new ATOM 490 N CYS A 38 -0.182 -7.349 -7.416 1.00 0.00 N ATOM 491 CA CYS A 38 0.595 -6.372 -8.172 1.00 0.00 C ATOM 492 C CYS A 38 -0.321 -5.397 -8.903 1.00 0.00 C ATOM 493 O CYS A 38 -0.138 -5.128 -10.090 1.00 0.00 O ATOM 494 CB CYS A 38 1.509 -7.081 -9.172 1.00 0.00 C ATOM 495 SG CYS A 38 2.888 -6.068 -9.757 1.00 0.00 S ATOM 0 H CYS A 38 -0.103 -7.259 -6.403 1.00 0.00 H new ATOM 0 HA CYS A 38 1.207 -5.808 -7.468 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.906 -7.984 -8.708 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.915 -7.398 -10.029 1.00 0.00 H new ATOM 0 HG CYS A 38 3.605 -6.754 -10.597 1.00 0.00 H new ATOM 501 N VAL A 39 -1.309 -4.870 -8.186 1.00 0.00 N ATOM 502 CA VAL A 39 -2.255 -3.925 -8.767 1.00 0.00 C ATOM 503 C VAL A 39 -2.107 -2.544 -8.140 1.00 0.00 C ATOM 504 O VAL A 39 -1.903 -2.417 -6.933 1.00 0.00 O ATOM 505 CB VAL A 39 -3.708 -4.404 -8.589 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.683 -3.362 -9.118 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.917 -5.742 -9.283 1.00 0.00 C ATOM 0 H VAL A 39 -1.475 -5.082 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.028 -3.864 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.900 -4.539 -7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.704 -3.718 -8.984 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.549 -2.428 -8.572 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.494 -3.192 -10.178 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.949 -6.065 -9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.707 -5.636 -10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.245 -6.484 -8.853 1.00 0.00 H new ATOM 517 N SER A 40 -2.211 -1.509 -8.968 1.00 0.00 N ATOM 518 CA SER A 40 -2.085 -0.136 -8.496 1.00 0.00 C ATOM 519 C SER A 40 -3.019 0.121 -7.317 1.00 0.00 C ATOM 520 O SER A 40 -4.194 -0.243 -7.352 1.00 0.00 O ATOM 521 CB SER A 40 -2.392 0.846 -9.628 1.00 0.00 C ATOM 522 OG SER A 40 -3.659 0.580 -10.204 1.00 0.00 O ATOM 0 H SER A 40 -2.382 -1.596 -9.970 1.00 0.00 H new ATOM 0 HA SER A 40 -1.058 0.014 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.370 1.866 -9.245 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.619 0.777 -10.394 1.00 0.00 H new ATOM 0 HG SER A 40 -3.832 1.222 -10.924 1.00 0.00 H new ATOM 528 N ASN A 41 -2.487 0.751 -6.275 1.00 0.00 N ATOM 529 CA ASN A 41 -3.273 1.057 -5.085 1.00 0.00 C ATOM 530 C ASN A 41 -3.146 2.532 -4.713 1.00 0.00 C ATOM 531 O ASN A 41 -2.214 3.212 -5.141 1.00 0.00 O ATOM 532 CB ASN A 41 -2.821 0.184 -3.912 1.00 0.00 C ATOM 533 CG ASN A 41 -2.423 -1.212 -4.351 1.00 0.00 C ATOM 534 OD1 ASN A 41 -1.292 -1.645 -4.129 1.00 0.00 O ATOM 535 ND2 ASN A 41 -3.353 -1.923 -4.977 1.00 0.00 N ATOM 0 H ASN A 41 -1.516 1.059 -6.230 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.319 0.845 -5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.977 0.660 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.627 0.116 -3.181 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.143 -2.869 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.277 -1.523 -5.139 1.00 0.00 H new ATOM 542 N ASN A 42 -4.090 3.018 -3.914 1.00 0.00 N ATOM 543 CA ASN A 42 -4.084 4.412 -3.485 1.00 0.00 C ATOM 544 C ASN A 42 -3.018 4.649 -2.420 1.00 0.00 C ATOM 545 O ASN A 42 -3.005 3.987 -1.383 1.00 0.00 O ATOM 546 CB ASN A 42 -5.460 4.806 -2.943 1.00 0.00 C ATOM 547 CG ASN A 42 -6.594 4.215 -3.758 1.00 0.00 C ATOM 548 OD1 ASN A 42 -7.002 4.777 -4.774 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.109 3.074 -3.314 1.00 0.00 N ATOM 0 H ASN A 42 -4.868 2.468 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.851 5.032 -4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.548 4.474 -1.909 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.548 5.892 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.874 2.629 -3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.739 2.643 -2.467 1.00 0.00 H new ATOM 556 N ALA A 43 -2.127 5.598 -2.684 1.00 0.00 N ATOM 557 CA ALA A 43 -1.058 5.925 -1.747 1.00 0.00 C ATOM 558 C ALA A 43 -1.572 5.935 -0.311 1.00 0.00 C ATOM 559 O ALA A 43 -0.995 5.295 0.568 1.00 0.00 O ATOM 560 CB ALA A 43 -0.441 7.270 -2.099 1.00 0.00 C ATOM 0 H ALA A 43 -2.123 6.154 -3.539 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.291 5.155 -1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.355 7.501 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.030 7.229 -3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.206 8.045 -2.050 1.00 0.00 H new ATOM 566 N GLU A 44 -2.658 6.667 -0.081 1.00 0.00 N ATOM 567 CA GLU A 44 -3.246 6.761 1.250 1.00 0.00 C ATOM 568 C GLU A 44 -3.594 5.376 1.790 1.00 0.00 C ATOM 569 O GLU A 44 -3.341 5.071 2.955 1.00 0.00 O ATOM 570 CB GLU A 44 -4.500 7.637 1.216 1.00 0.00 C ATOM 571 CG GLU A 44 -4.243 9.048 0.716 1.00 0.00 C ATOM 572 CD GLU A 44 -3.672 9.953 1.791 1.00 0.00 C ATOM 573 OE1 GLU A 44 -4.328 10.113 2.841 1.00 0.00 O ATOM 574 OE2 GLU A 44 -2.570 10.502 1.581 1.00 0.00 O ATOM 0 H GLU A 44 -3.147 7.203 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.511 7.216 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.246 7.164 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.925 7.688 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.553 9.011 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.176 9.474 0.346 1.00 0.00 H new ATOM 581 N ASP A 45 -4.177 4.544 0.934 1.00 0.00 N ATOM 582 CA ASP A 45 -4.560 3.191 1.324 1.00 0.00 C ATOM 583 C ASP A 45 -3.338 2.379 1.741 1.00 0.00 C ATOM 584 O ASP A 45 -2.408 2.192 0.958 1.00 0.00 O ATOM 585 CB ASP A 45 -5.284 2.492 0.173 1.00 0.00 C ATOM 586 CG ASP A 45 -6.611 3.145 -0.159 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.704 4.386 -0.052 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.556 2.416 -0.525 1.00 0.00 O ATOM 0 H ASP A 45 -4.395 4.782 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.234 3.262 2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.647 2.501 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.452 1.447 0.435 1.00 0.00 H new ATOM 593 N ASN A 46 -3.346 1.901 2.981 1.00 0.00 N ATOM 594 CA ASN A 46 -2.237 1.111 3.503 1.00 0.00 C ATOM 595 C ASN A 46 -2.363 -0.350 3.080 1.00 0.00 C ATOM 596 O ASN A 46 -1.401 -1.114 3.152 1.00 0.00 O ATOM 597 CB ASN A 46 -2.189 1.208 5.030 1.00 0.00 C ATOM 598 CG ASN A 46 -0.797 0.962 5.580 1.00 0.00 C ATOM 599 OD1 ASN A 46 -0.022 1.897 5.780 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.475 -0.302 5.829 1.00 0.00 N ATOM 0 H ASN A 46 -4.108 2.047 3.643 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.312 1.512 3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.530 2.196 5.340 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.880 0.483 5.460 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.447 -0.530 6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.150 -1.045 5.648 1.00 0.00 H new ATOM 607 N LYS A 47 -3.557 -0.730 2.636 1.00 0.00 N ATOM 608 CA LYS A 47 -3.810 -2.098 2.198 1.00 0.00 C ATOM 609 C LYS A 47 -4.261 -2.128 0.741 1.00 0.00 C ATOM 610 O LYS A 47 -4.537 -1.086 0.144 1.00 0.00 O ATOM 611 CB LYS A 47 -4.872 -2.751 3.086 1.00 0.00 C ATOM 612 CG LYS A 47 -4.297 -3.466 4.296 1.00 0.00 C ATOM 613 CD LYS A 47 -5.392 -4.070 5.159 1.00 0.00 C ATOM 614 CE LYS A 47 -6.152 -2.999 5.926 1.00 0.00 C ATOM 615 NZ LYS A 47 -6.968 -3.580 7.028 1.00 0.00 N ATOM 0 H LYS A 47 -4.364 -0.110 2.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.879 -2.659 2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.571 -1.986 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.443 -3.464 2.491 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.617 -4.252 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.710 -2.765 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.085 -4.630 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.954 -4.780 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.446 -2.278 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.802 -2.454 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.471 -2.818 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.659 -4.250 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.345 -4.079 7.695 1.00 0.00 H new ATOM 629 N CYS A 48 -4.337 -3.327 0.175 1.00 0.00 N ATOM 630 CA CYS A 48 -4.756 -3.494 -1.212 1.00 0.00 C ATOM 631 C CYS A 48 -6.275 -3.599 -1.312 1.00 0.00 C ATOM 632 O CYS A 48 -6.971 -3.677 -0.300 1.00 0.00 O ATOM 633 CB CYS A 48 -4.106 -4.740 -1.817 1.00 0.00 C ATOM 634 SG CYS A 48 -3.812 -4.628 -3.611 1.00 0.00 S ATOM 0 H CYS A 48 -4.114 -4.199 0.655 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.432 -2.616 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.156 -4.921 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.742 -5.602 -1.617 1.00 0.00 H new ATOM 639 N VAL A 49 -6.782 -3.600 -2.541 1.00 0.00 N ATOM 640 CA VAL A 49 -8.218 -3.697 -2.774 1.00 0.00 C ATOM 641 C VAL A 49 -8.565 -4.967 -3.543 1.00 0.00 C ATOM 642 O VAL A 49 -9.598 -5.591 -3.298 1.00 0.00 O ATOM 643 CB VAL A 49 -8.744 -2.478 -3.555 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.464 -1.193 -2.790 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.124 -2.427 -4.943 1.00 0.00 C ATOM 0 H VAL A 49 -6.220 -3.535 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.696 -3.726 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.824 -2.578 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.842 -0.342 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.959 -1.232 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.389 -1.083 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.507 -1.560 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.040 -2.350 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.380 -3.335 -5.489 1.00 0.00 H new ATOM 655 N SER A 50 -7.695 -5.345 -4.474 1.00 0.00 N ATOM 656 CA SER A 50 -7.911 -6.540 -5.282 1.00 0.00 C ATOM 657 C SER A 50 -7.700 -7.802 -4.452 1.00 0.00 C ATOM 658 O SER A 50 -8.488 -8.746 -4.524 1.00 0.00 O ATOM 659 CB SER A 50 -6.968 -6.544 -6.487 1.00 0.00 C ATOM 660 OG SER A 50 -7.115 -7.731 -7.246 1.00 0.00 O ATOM 0 H SER A 50 -6.834 -4.841 -4.688 1.00 0.00 H new ATOM 0 HA SER A 50 -8.942 -6.528 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.174 -5.678 -7.117 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.937 -6.452 -6.146 1.00 0.00 H new ATOM 0 HG SER A 50 -6.503 -7.708 -8.011 1.00 0.00 H new ATOM 666 N CYS A 51 -6.630 -7.813 -3.664 1.00 0.00 N ATOM 667 CA CYS A 51 -6.313 -8.958 -2.820 1.00 0.00 C ATOM 668 C CYS A 51 -6.468 -8.605 -1.343 1.00 0.00 C ATOM 669 O CYS A 51 -6.604 -9.487 -0.495 1.00 0.00 O ATOM 670 CB CYS A 51 -4.887 -9.440 -3.093 1.00 0.00 C ATOM 671 SG CYS A 51 -3.594 -8.256 -2.595 1.00 0.00 S ATOM 0 H CYS A 51 -5.967 -7.041 -3.593 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.013 -9.759 -3.060 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.726 -10.381 -2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.783 -9.649 -4.158 1.00 0.00 H new ATOM 676 N MET A 52 -6.448 -7.310 -1.045 1.00 0.00 N ATOM 677 CA MET A 52 -6.588 -6.841 0.329 1.00 0.00 C ATOM 678 C MET A 52 -5.409 -7.297 1.182 1.00 0.00 C ATOM 679 O MET A 52 -5.590 -7.788 2.296 1.00 0.00 O ATOM 680 CB MET A 52 -7.897 -7.351 0.933 1.00 0.00 C ATOM 681 CG MET A 52 -9.129 -6.959 0.133 1.00 0.00 C ATOM 682 SD MET A 52 -10.664 -7.259 1.030 1.00 0.00 S ATOM 683 CE MET A 52 -11.662 -5.884 0.464 1.00 0.00 C ATOM 0 H MET A 52 -6.336 -6.567 -1.735 1.00 0.00 H new ATOM 0 HA MET A 52 -6.603 -5.751 0.315 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.854 -8.438 1.009 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.994 -6.964 1.947 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.066 -5.903 -0.129 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.144 -7.519 -0.802 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.645 -5.931 0.932 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.176 -4.946 0.734 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.773 -5.937 -0.619 1.00 0.00 H new ATOM 693 N SER A 53 -4.201 -7.131 0.652 1.00 0.00 N ATOM 694 CA SER A 53 -2.992 -7.530 1.364 1.00 0.00 C ATOM 695 C SER A 53 -2.369 -6.339 2.085 1.00 0.00 C ATOM 696 O SER A 53 -2.827 -5.206 1.943 1.00 0.00 O ATOM 697 CB SER A 53 -1.980 -8.140 0.392 1.00 0.00 C ATOM 698 OG SER A 53 -1.525 -7.175 -0.541 1.00 0.00 O ATOM 0 H SER A 53 -4.033 -6.723 -0.268 1.00 0.00 H new ATOM 0 HA SER A 53 -3.267 -8.279 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.133 -8.541 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.438 -8.976 -0.138 1.00 0.00 H new ATOM 0 HG SER A 53 -2.029 -7.265 -1.377 1.00 0.00 H new ATOM 704 N GLU A 54 -1.321 -6.606 2.858 1.00 0.00 N ATOM 705 CA GLU A 54 -0.634 -5.556 3.602 1.00 0.00 C ATOM 706 C GLU A 54 0.413 -4.867 2.731 1.00 0.00 C ATOM 707 O GLU A 54 1.188 -5.524 2.036 1.00 0.00 O ATOM 708 CB GLU A 54 0.029 -6.137 4.853 1.00 0.00 C ATOM 709 CG GLU A 54 -0.962 -6.656 5.881 1.00 0.00 C ATOM 710 CD GLU A 54 -0.380 -7.756 6.748 1.00 0.00 C ATOM 711 OE1 GLU A 54 0.318 -7.431 7.730 1.00 0.00 O ATOM 712 OE2 GLU A 54 -0.624 -8.942 6.444 1.00 0.00 O ATOM 0 H GLU A 54 -0.929 -7.539 2.985 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.375 -4.815 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.693 -6.950 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.650 -5.369 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.287 -5.832 6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.848 -7.032 5.369 1.00 0.00 H new ATOM 719 N LYS A 55 0.429 -3.540 2.774 1.00 0.00 N ATOM 720 CA LYS A 55 1.380 -2.760 1.991 1.00 0.00 C ATOM 721 C LYS A 55 2.797 -2.929 2.530 1.00 0.00 C ATOM 722 O LYS A 55 3.043 -2.842 3.733 1.00 0.00 O ATOM 723 CB LYS A 55 0.991 -1.280 2.004 1.00 0.00 C ATOM 724 CG LYS A 55 2.010 -0.377 1.331 1.00 0.00 C ATOM 725 CD LYS A 55 1.555 1.073 1.330 1.00 0.00 C ATOM 726 CE LYS A 55 2.739 2.028 1.358 1.00 0.00 C ATOM 727 NZ LYS A 55 2.360 3.365 1.892 1.00 0.00 N ATOM 0 H LYS A 55 -0.206 -2.981 3.343 1.00 0.00 H new ATOM 0 HA LYS A 55 1.354 -3.127 0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.028 -1.162 1.506 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.858 -0.957 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.967 -0.459 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.171 -0.710 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.952 1.266 0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.918 1.256 2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.534 1.604 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.140 2.140 0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.194 3.987 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.620 3.781 1.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.001 3.262 2.863 1.00 0.00 H new ATOM 741 N PRO A 56 3.751 -3.175 1.620 1.00 0.00 N ATOM 742 CA PRO A 56 5.160 -3.359 1.981 1.00 0.00 C ATOM 743 C PRO A 56 5.810 -2.065 2.458 1.00 0.00 C ATOM 744 O PRO A 56 5.350 -0.971 2.132 1.00 0.00 O ATOM 745 CB PRO A 56 5.803 -3.831 0.675 1.00 0.00 C ATOM 746 CG PRO A 56 4.922 -3.289 -0.398 1.00 0.00 C ATOM 747 CD PRO A 56 3.529 -3.292 0.169 1.00 0.00 C ATOM 0 HA PRO A 56 5.280 -4.059 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.822 -3.457 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.857 -4.919 0.631 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.226 -2.281 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.979 -3.903 -1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.937 -2.461 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.994 -4.208 -0.083 1.00 0.00 H new ATOM 755 N GLY A 57 6.884 -2.196 3.231 1.00 0.00 N ATOM 756 CA GLY A 57 7.580 -1.029 3.739 1.00 0.00 C ATOM 757 C GLY A 57 8.975 -1.355 4.234 1.00 0.00 C ATOM 758 O GLY A 57 9.240 -1.196 5.425 1.00 0.00 O ATOM 0 H GLY A 57 7.284 -3.090 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.644 -0.277 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.002 -0.591 4.553 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.865 -6.731 -4.078 1.00 0.00 ZN