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+ -103:sc= 0.0773 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 15:sc= 0.506 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 22:sc= 0.233 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= -0.16 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 -54:sc= 0.71 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0707) USER MOD Single : A 31 SER OG : rot -78:sc= 0.0235 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -23:sc= 0.00227 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -2.24 K(o=-2.2,f=-3.7!) USER MOD Single : A 42 ASN : amide:sc= 0.762 K(o=0.76,f=-0.79) USER MOD Single : A 46 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.7!) 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 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.931 6.713 9.757 1.00 0.00 N ATOM 2 CA GLY A 1 22.248 5.472 9.440 1.00 0.00 C ATOM 3 C GLY A 1 21.620 5.492 8.061 1.00 0.00 C ATOM 4 O GLY A 1 21.453 6.555 7.463 1.00 0.00 O ATOM 0 H1 GLY A 1 23.958 6.580 9.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.614 7.460 9.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.711 6.990 10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.956 4.645 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.475 5.286 10.185 1.00 0.00 H new ATOM 8 N SER A 2 21.272 4.314 7.553 1.00 0.00 N ATOM 9 CA SER A 2 20.664 4.199 6.233 1.00 0.00 C ATOM 10 C SER A 2 19.377 3.383 6.297 1.00 0.00 C ATOM 11 O SER A 2 19.319 2.345 6.955 1.00 0.00 O ATOM 12 CB SER A 2 21.644 3.552 5.252 1.00 0.00 C ATOM 13 OG SER A 2 22.837 4.310 5.148 1.00 0.00 O ATOM 0 H SER A 2 21.401 3.425 8.036 1.00 0.00 H new ATOM 0 HA SER A 2 20.420 5.202 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.880 2.541 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.177 3.466 4.271 1.00 0.00 H new ATOM 0 HG SER A 2 23.447 3.875 4.517 1.00 0.00 H new ATOM 19 N SER A 3 18.346 3.861 5.608 1.00 0.00 N ATOM 20 CA SER A 3 17.057 3.179 5.588 1.00 0.00 C ATOM 21 C SER A 3 16.296 3.492 4.303 1.00 0.00 C ATOM 22 O SER A 3 16.362 4.605 3.785 1.00 0.00 O ATOM 23 CB SER A 3 16.221 3.589 6.802 1.00 0.00 C ATOM 24 OG SER A 3 16.673 2.938 7.976 1.00 0.00 O ATOM 0 H SER A 3 18.378 4.718 5.056 1.00 0.00 H new ATOM 0 HA SER A 3 17.241 2.105 5.628 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.276 4.669 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.174 3.343 6.626 1.00 0.00 H new ATOM 0 HG SER A 3 17.560 2.553 7.816 1.00 0.00 H new ATOM 30 N GLY A 4 15.574 2.498 3.794 1.00 0.00 N ATOM 31 CA GLY A 4 14.811 2.686 2.574 1.00 0.00 C ATOM 32 C GLY A 4 14.548 1.382 1.847 1.00 0.00 C ATOM 33 O GLY A 4 14.429 0.328 2.473 1.00 0.00 O ATOM 0 H GLY A 4 15.504 1.567 4.204 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.861 3.163 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.350 3.364 1.913 1.00 0.00 H new ATOM 37 N SER A 5 14.457 1.451 0.523 1.00 0.00 N ATOM 38 CA SER A 5 14.201 0.267 -0.289 1.00 0.00 C ATOM 39 C SER A 5 15.509 -0.389 -0.719 1.00 0.00 C ATOM 40 O SER A 5 16.311 0.210 -1.435 1.00 0.00 O ATOM 41 CB SER A 5 13.374 0.637 -1.521 1.00 0.00 C ATOM 42 OG SER A 5 13.256 -0.464 -2.406 1.00 0.00 O ATOM 0 H SER A 5 14.557 2.315 -0.011 1.00 0.00 H new ATOM 0 HA SER A 5 13.639 -0.444 0.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.382 0.967 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.841 1.475 -2.038 1.00 0.00 H new ATOM 0 HG SER A 5 12.722 -0.202 -3.185 1.00 0.00 H new ATOM 48 N SER A 6 15.717 -1.625 -0.275 1.00 0.00 N ATOM 49 CA SER A 6 16.930 -2.363 -0.610 1.00 0.00 C ATOM 50 C SER A 6 17.327 -2.124 -2.064 1.00 0.00 C ATOM 51 O SER A 6 18.477 -1.800 -2.359 1.00 0.00 O ATOM 52 CB SER A 6 16.725 -3.859 -0.365 1.00 0.00 C ATOM 53 OG SER A 6 16.523 -4.128 1.012 1.00 0.00 O ATOM 0 H SER A 6 15.062 -2.136 0.317 1.00 0.00 H new ATOM 0 HA SER A 6 17.734 -2.003 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.866 -4.210 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.594 -4.412 -0.723 1.00 0.00 H new ATOM 0 HG SER A 6 16.393 -5.091 1.142 1.00 0.00 H new ATOM 59 N GLY A 7 16.366 -2.287 -2.968 1.00 0.00 N ATOM 60 CA GLY A 7 16.634 -2.085 -4.380 1.00 0.00 C ATOM 61 C GLY A 7 17.183 -3.330 -5.049 1.00 0.00 C ATOM 62 O GLY A 7 18.162 -3.263 -5.793 1.00 0.00 O ATOM 0 H GLY A 7 15.407 -2.555 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.715 -1.782 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.346 -1.268 -4.498 1.00 0.00 H new ATOM 66 N SER A 8 16.551 -4.469 -4.785 1.00 0.00 N ATOM 67 CA SER A 8 16.985 -5.736 -5.362 1.00 0.00 C ATOM 68 C SER A 8 16.737 -5.759 -6.868 1.00 0.00 C ATOM 69 O SER A 8 15.623 -5.510 -7.328 1.00 0.00 O ATOM 70 CB SER A 8 16.254 -6.902 -4.695 1.00 0.00 C ATOM 71 OG SER A 8 14.853 -6.796 -4.876 1.00 0.00 O ATOM 0 H SER A 8 15.737 -4.540 -4.175 1.00 0.00 H new ATOM 0 HA SER A 8 18.056 -5.840 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.608 -7.844 -5.114 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.486 -6.919 -3.630 1.00 0.00 H new ATOM 0 HG SER A 8 14.665 -6.222 -5.648 1.00 0.00 H new ATOM 77 N SER A 9 17.784 -6.061 -7.629 1.00 0.00 N ATOM 78 CA SER A 9 17.682 -6.114 -9.083 1.00 0.00 C ATOM 79 C SER A 9 17.567 -7.556 -9.567 1.00 0.00 C ATOM 80 O SER A 9 18.336 -8.424 -9.155 1.00 0.00 O ATOM 81 CB SER A 9 18.898 -5.444 -9.725 1.00 0.00 C ATOM 82 OG SER A 9 18.645 -5.120 -11.081 1.00 0.00 O ATOM 0 H SER A 9 18.712 -6.273 -7.263 1.00 0.00 H new ATOM 0 HA SER A 9 16.781 -5.577 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 9 19.152 -4.539 -9.173 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.759 -6.109 -9.661 1.00 0.00 H new ATOM 0 HG SER A 9 19.437 -4.691 -11.468 1.00 0.00 H new ATOM 88 N SER A 10 16.600 -7.803 -10.445 1.00 0.00 N ATOM 89 CA SER A 10 16.380 -9.141 -10.984 1.00 0.00 C ATOM 90 C SER A 10 17.367 -9.442 -12.107 1.00 0.00 C ATOM 91 O SER A 10 17.848 -8.535 -12.786 1.00 0.00 O ATOM 92 CB SER A 10 14.946 -9.277 -11.498 1.00 0.00 C ATOM 93 OG SER A 10 14.700 -8.378 -12.567 1.00 0.00 O ATOM 0 H SER A 10 15.957 -7.095 -10.798 1.00 0.00 H new ATOM 0 HA SER A 10 16.539 -9.861 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 10 14.771 -10.300 -11.831 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.245 -9.082 -10.686 1.00 0.00 H new ATOM 0 HG SER A 10 13.777 -8.486 -12.879 1.00 0.00 H new ATOM 99 N SER A 11 17.664 -10.724 -12.297 1.00 0.00 N ATOM 100 CA SER A 11 18.596 -11.147 -13.336 1.00 0.00 C ATOM 101 C SER A 11 17.852 -11.517 -14.616 1.00 0.00 C ATOM 102 O SER A 11 18.194 -11.049 -15.702 1.00 0.00 O ATOM 103 CB SER A 11 19.426 -12.338 -12.852 1.00 0.00 C ATOM 104 OG SER A 11 20.556 -12.542 -13.681 1.00 0.00 O ATOM 0 H SER A 11 17.273 -11.487 -11.745 1.00 0.00 H new ATOM 0 HA SER A 11 19.263 -10.313 -13.553 1.00 0.00 H new ATOM 0 HB2 SER A 11 19.750 -12.166 -11.826 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.809 -13.237 -12.845 1.00 0.00 H new ATOM 0 HG SER A 11 21.071 -13.307 -13.350 1.00 0.00 H new ATOM 110 N CYS A 12 16.835 -12.360 -14.478 1.00 0.00 N ATOM 111 CA CYS A 12 16.042 -12.795 -15.623 1.00 0.00 C ATOM 112 C CYS A 12 15.422 -11.600 -16.340 1.00 0.00 C ATOM 113 O CYS A 12 15.249 -10.531 -15.754 1.00 0.00 O ATOM 114 CB CYS A 12 14.945 -13.760 -15.172 1.00 0.00 C ATOM 115 SG CYS A 12 14.186 -14.696 -16.520 1.00 0.00 S ATOM 0 H CYS A 12 16.540 -12.756 -13.586 1.00 0.00 H new ATOM 0 HA CYS A 12 16.705 -13.309 -16.319 1.00 0.00 H new ATOM 0 HB2 CYS A 12 15.366 -14.460 -14.450 1.00 0.00 H new ATOM 0 HB3 CYS A 12 14.170 -13.195 -14.654 1.00 0.00 H new ATOM 0 HG CYS A 12 13.272 -15.486 -16.039 1.00 0.00 H new ATOM 121 N THR A 13 15.090 -11.788 -17.614 1.00 0.00 N ATOM 122 CA THR A 13 14.493 -10.725 -18.412 1.00 0.00 C ATOM 123 C THR A 13 13.231 -11.211 -19.117 1.00 0.00 C ATOM 124 O THR A 13 13.241 -12.241 -19.790 1.00 0.00 O ATOM 125 CB THR A 13 15.481 -10.190 -19.465 1.00 0.00 C ATOM 126 OG1 THR A 13 16.663 -9.698 -18.823 1.00 0.00 O ATOM 127 CG2 THR A 13 14.846 -9.080 -20.289 1.00 0.00 C ATOM 0 H THR A 13 15.225 -12.666 -18.115 1.00 0.00 H new ATOM 0 HA THR A 13 14.236 -9.920 -17.724 1.00 0.00 H new ATOM 0 HB THR A 13 15.745 -11.010 -20.132 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.287 -9.361 -19.500 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.563 -8.718 -21.026 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.964 -9.465 -20.800 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.556 -8.260 -19.632 1.00 0.00 H new ATOM 135 N VAL A 14 12.145 -10.461 -18.958 1.00 0.00 N ATOM 136 CA VAL A 14 10.875 -10.815 -19.581 1.00 0.00 C ATOM 137 C VAL A 14 10.992 -10.825 -21.101 1.00 0.00 C ATOM 138 O VAL A 14 11.351 -9.820 -21.715 1.00 0.00 O ATOM 139 CB VAL A 14 9.757 -9.838 -19.170 1.00 0.00 C ATOM 140 CG1 VAL A 14 8.453 -10.194 -19.867 1.00 0.00 C ATOM 141 CG2 VAL A 14 9.581 -9.835 -17.659 1.00 0.00 C ATOM 0 H VAL A 14 12.119 -9.605 -18.404 1.00 0.00 H new ATOM 0 HA VAL A 14 10.620 -11.816 -19.233 1.00 0.00 H new ATOM 0 HB VAL A 14 10.044 -8.833 -19.481 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.675 -9.493 -19.564 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.591 -10.139 -20.947 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.157 -11.206 -19.590 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.787 -9.139 -17.387 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.317 -10.837 -17.321 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.513 -9.526 -17.185 1.00 0.00 H new ATOM 151 N THR A 15 10.686 -11.969 -21.705 1.00 0.00 N ATOM 152 CA THR A 15 10.757 -12.112 -23.154 1.00 0.00 C ATOM 153 C THR A 15 9.387 -12.426 -23.743 1.00 0.00 C ATOM 154 O THR A 15 9.044 -11.958 -24.830 1.00 0.00 O ATOM 155 CB THR A 15 11.746 -13.221 -23.561 1.00 0.00 C ATOM 156 OG1 THR A 15 13.057 -12.911 -23.074 1.00 0.00 O ATOM 157 CG2 THR A 15 11.786 -13.381 -25.073 1.00 0.00 C ATOM 0 H THR A 15 10.386 -12.811 -21.213 1.00 0.00 H new ATOM 0 HA THR A 15 11.109 -11.159 -23.549 1.00 0.00 H new ATOM 0 HB THR A 15 11.408 -14.159 -23.121 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.679 -13.621 -23.335 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.491 -14.169 -25.337 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.793 -13.645 -25.437 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.103 -12.443 -25.530 1.00 0.00 H new ATOM 165 N THR A 16 8.605 -13.222 -23.021 1.00 0.00 N ATOM 166 CA THR A 16 7.272 -13.600 -23.473 1.00 0.00 C ATOM 167 C THR A 16 6.532 -12.404 -24.062 1.00 0.00 C ATOM 168 O THR A 16 5.842 -12.526 -25.073 1.00 0.00 O ATOM 169 CB THR A 16 6.435 -14.191 -22.322 1.00 0.00 C ATOM 170 OG1 THR A 16 6.378 -13.264 -21.232 1.00 0.00 O ATOM 171 CG2 THR A 16 7.027 -15.508 -21.844 1.00 0.00 C ATOM 0 H THR A 16 8.872 -13.618 -22.120 1.00 0.00 H new ATOM 0 HA THR A 16 7.403 -14.359 -24.244 1.00 0.00 H new ATOM 0 HB THR A 16 5.427 -14.377 -22.693 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.843 -13.646 -20.505 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.420 -15.906 -21.031 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.042 -16.221 -22.669 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.044 -15.342 -21.489 1.00 0.00 H new ATOM 179 N GLY A 17 6.681 -11.248 -23.423 1.00 0.00 N ATOM 180 CA GLY A 17 6.021 -10.046 -23.899 1.00 0.00 C ATOM 181 C GLY A 17 6.126 -9.885 -25.403 1.00 0.00 C ATOM 182 O GLY A 17 5.222 -10.277 -26.142 1.00 0.00 O ATOM 0 H GLY A 17 7.247 -11.122 -22.584 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.970 -10.074 -23.612 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.461 -9.176 -23.412 1.00 0.00 H new ATOM 186 N THR A 18 7.231 -9.304 -25.859 1.00 0.00 N ATOM 187 CA THR A 18 7.449 -9.089 -27.284 1.00 0.00 C ATOM 188 C THR A 18 6.180 -8.591 -27.965 1.00 0.00 C ATOM 189 O THR A 18 5.935 -8.885 -29.136 1.00 0.00 O ATOM 190 CB THR A 18 7.920 -10.379 -27.981 1.00 0.00 C ATOM 191 OG1 THR A 18 8.320 -10.092 -29.326 1.00 0.00 O ATOM 192 CG2 THR A 18 6.816 -11.425 -27.988 1.00 0.00 C ATOM 0 H THR A 18 7.989 -8.974 -25.262 1.00 0.00 H new ATOM 0 HA THR A 18 8.227 -8.331 -27.374 1.00 0.00 H new ATOM 0 HB THR A 18 8.770 -10.775 -27.426 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.594 -9.627 -29.791 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.172 -12.327 -28.486 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.534 -11.664 -26.962 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.949 -11.035 -28.521 1.00 0.00 H new ATOM 200 N LEU A 19 5.375 -7.835 -27.226 1.00 0.00 N ATOM 201 CA LEU A 19 4.130 -7.295 -27.760 1.00 0.00 C ATOM 202 C LEU A 19 4.398 -6.398 -28.965 1.00 0.00 C ATOM 203 O LEU A 19 3.621 -6.373 -29.918 1.00 0.00 O ATOM 204 CB LEU A 19 3.388 -6.507 -26.679 1.00 0.00 C ATOM 205 CG LEU A 19 4.197 -5.428 -25.959 1.00 0.00 C ATOM 206 CD1 LEU A 19 4.036 -4.086 -26.656 1.00 0.00 C ATOM 207 CD2 LEU A 19 3.775 -5.328 -24.501 1.00 0.00 C ATOM 0 H LEU A 19 5.562 -7.582 -26.256 1.00 0.00 H new ATOM 0 HA LEU A 19 3.509 -8.131 -28.083 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.517 -6.036 -27.135 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.017 -7.211 -25.935 1.00 0.00 H new ATOM 0 HG LEU A 19 5.250 -5.708 -25.993 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.619 -3.330 -26.129 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.389 -4.165 -27.684 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.984 -3.799 -26.655 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.362 -4.555 -24.005 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.717 -5.073 -24.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.944 -6.285 -24.007 1.00 0.00 H new ATOM 219 N GLY A 20 5.505 -5.663 -28.915 1.00 0.00 N ATOM 220 CA GLY A 20 5.857 -4.776 -30.009 1.00 0.00 C ATOM 221 C GLY A 20 6.193 -3.376 -29.535 1.00 0.00 C ATOM 222 O GLY A 20 6.565 -3.177 -28.378 1.00 0.00 O ATOM 0 H GLY A 20 6.164 -5.666 -28.137 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.710 -5.189 -30.547 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.028 -4.728 -30.715 1.00 0.00 H new ATOM 226 N PHE A 21 6.064 -2.403 -30.431 1.00 0.00 N ATOM 227 CA PHE A 21 6.360 -1.014 -30.099 1.00 0.00 C ATOM 228 C PHE A 21 5.074 -0.220 -29.885 1.00 0.00 C ATOM 229 O PHE A 21 4.225 -0.144 -30.772 1.00 0.00 O ATOM 230 CB PHE A 21 7.193 -0.369 -31.208 1.00 0.00 C ATOM 231 CG PHE A 21 8.527 -1.027 -31.416 1.00 0.00 C ATOM 232 CD1 PHE A 21 8.635 -2.173 -32.188 1.00 0.00 C ATOM 233 CD2 PHE A 21 9.672 -0.500 -30.841 1.00 0.00 C ATOM 234 CE1 PHE A 21 9.861 -2.782 -32.380 1.00 0.00 C ATOM 235 CE2 PHE A 21 10.901 -1.104 -31.031 1.00 0.00 C ATOM 236 CZ PHE A 21 10.995 -2.246 -31.802 1.00 0.00 C ATOM 0 H PHE A 21 5.757 -2.551 -31.392 1.00 0.00 H new ATOM 0 HA PHE A 21 6.932 -1.002 -29.171 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.630 -0.404 -32.141 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.349 0.683 -30.969 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.752 -2.595 -32.644 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.604 0.393 -30.237 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.932 -3.676 -32.981 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.786 -0.683 -30.577 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.954 -2.719 -31.953 1.00 0.00 H new ATOM 246 N GLY A 22 4.939 0.369 -28.701 1.00 0.00 N ATOM 247 CA GLY A 22 3.755 1.149 -28.391 1.00 0.00 C ATOM 248 C GLY A 22 3.908 1.953 -27.116 1.00 0.00 C ATOM 249 O GLY A 22 4.698 2.895 -27.059 1.00 0.00 O ATOM 0 H GLY A 22 5.628 0.320 -27.951 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.542 1.825 -29.219 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.899 0.481 -28.295 1.00 0.00 H new ATOM 253 N ASP A 23 3.148 1.583 -26.090 1.00 0.00 N ATOM 254 CA ASP A 23 3.202 2.277 -24.809 1.00 0.00 C ATOM 255 C ASP A 23 4.493 1.947 -24.066 1.00 0.00 C ATOM 256 O ASP A 23 5.267 1.090 -24.494 1.00 0.00 O ATOM 257 CB ASP A 23 1.994 1.901 -23.950 1.00 0.00 C ATOM 258 CG ASP A 23 1.910 0.410 -23.691 1.00 0.00 C ATOM 259 OD1 ASP A 23 2.503 -0.055 -22.695 1.00 0.00 O ATOM 260 OD2 ASP A 23 1.250 -0.293 -24.485 1.00 0.00 O ATOM 0 H ASP A 23 2.488 0.806 -26.121 1.00 0.00 H new ATOM 0 HA ASP A 23 3.180 3.349 -25.003 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.050 2.430 -22.998 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.082 2.233 -24.446 1.00 0.00 H new ATOM 265 N LYS A 24 4.720 2.633 -22.951 1.00 0.00 N ATOM 266 CA LYS A 24 5.917 2.414 -22.147 1.00 0.00 C ATOM 267 C LYS A 24 5.552 2.151 -20.689 1.00 0.00 C ATOM 268 O LYS A 24 4.684 2.819 -20.126 1.00 0.00 O ATOM 269 CB LYS A 24 6.848 3.625 -22.241 1.00 0.00 C ATOM 270 CG LYS A 24 6.220 4.915 -21.744 1.00 0.00 C ATOM 271 CD LYS A 24 5.489 5.645 -22.858 1.00 0.00 C ATOM 272 CE LYS A 24 4.912 6.966 -22.374 1.00 0.00 C ATOM 273 NZ LYS A 24 3.664 6.771 -21.585 1.00 0.00 N ATOM 0 H LYS A 24 4.090 3.346 -22.583 1.00 0.00 H new ATOM 0 HA LYS A 24 6.432 1.537 -22.538 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.751 3.424 -21.664 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.156 3.757 -23.278 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.524 4.694 -20.935 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.994 5.562 -21.331 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.174 5.828 -23.686 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.686 5.015 -23.242 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.651 7.483 -21.762 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.703 7.607 -23.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.302 7.695 -21.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.949 6.301 -22.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.868 6.181 -20.753 1.00 0.00 H new ATOM 287 N PHE A 25 6.221 1.177 -20.083 1.00 0.00 N ATOM 288 CA PHE A 25 5.968 0.827 -18.690 1.00 0.00 C ATOM 289 C PHE A 25 6.885 1.612 -17.757 1.00 0.00 C ATOM 290 O PHE A 25 8.085 1.345 -17.677 1.00 0.00 O ATOM 291 CB PHE A 25 6.167 -0.675 -18.475 1.00 0.00 C ATOM 292 CG PHE A 25 7.370 -1.228 -19.185 1.00 0.00 C ATOM 293 CD1 PHE A 25 7.309 -1.553 -20.530 1.00 0.00 C ATOM 294 CD2 PHE A 25 8.563 -1.423 -18.506 1.00 0.00 C ATOM 295 CE1 PHE A 25 8.415 -2.062 -21.186 1.00 0.00 C ATOM 296 CE2 PHE A 25 9.671 -1.930 -19.156 1.00 0.00 C ATOM 297 CZ PHE A 25 9.597 -2.251 -20.498 1.00 0.00 C ATOM 0 H PHE A 25 6.943 0.615 -20.534 1.00 0.00 H new ATOM 0 HA PHE A 25 4.935 1.086 -18.458 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.263 -0.871 -17.407 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.278 -1.204 -18.818 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.387 -1.407 -21.073 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.627 -1.176 -17.457 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.354 -2.311 -22.235 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.595 -2.076 -18.616 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.462 -2.649 -21.008 1.00 0.00 H new ATOM 307 N LYS A 26 6.312 2.582 -17.053 1.00 0.00 N ATOM 308 CA LYS A 26 7.076 3.407 -16.124 1.00 0.00 C ATOM 309 C LYS A 26 6.560 3.240 -14.698 1.00 0.00 C ATOM 310 O LYS A 26 5.453 2.746 -14.482 1.00 0.00 O ATOM 311 CB LYS A 26 7.000 4.879 -16.536 1.00 0.00 C ATOM 312 CG LYS A 26 7.962 5.248 -17.652 1.00 0.00 C ATOM 313 CD LYS A 26 7.549 6.538 -18.340 1.00 0.00 C ATOM 314 CE LYS A 26 8.091 7.757 -17.610 1.00 0.00 C ATOM 315 NZ LYS A 26 9.550 7.941 -17.844 1.00 0.00 N ATOM 0 H LYS A 26 5.321 2.816 -17.108 1.00 0.00 H new ATOM 0 HA LYS A 26 8.115 3.080 -16.157 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.983 5.107 -16.854 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.209 5.502 -15.667 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.968 5.357 -17.246 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.000 4.440 -18.383 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.913 6.536 -19.367 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.461 6.594 -18.387 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.555 8.647 -17.941 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.905 7.652 -16.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.844 8.874 -17.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.078 7.198 -17.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.749 7.880 -18.863 1.00 0.00 H new ATOM 329 N ARG A 27 7.368 3.656 -13.729 1.00 0.00 N ATOM 330 CA ARG A 27 6.992 3.553 -12.324 1.00 0.00 C ATOM 331 C ARG A 27 5.881 4.542 -11.984 1.00 0.00 C ATOM 332 O ARG A 27 5.854 5.674 -12.468 1.00 0.00 O ATOM 333 CB ARG A 27 8.207 3.807 -11.429 1.00 0.00 C ATOM 334 CG ARG A 27 8.622 5.268 -11.367 1.00 0.00 C ATOM 335 CD ARG A 27 9.518 5.542 -10.169 1.00 0.00 C ATOM 336 NE ARG A 27 10.736 4.737 -10.200 1.00 0.00 N ATOM 337 CZ ARG A 27 11.832 5.088 -10.863 1.00 0.00 C ATOM 338 NH1 ARG A 27 11.863 6.225 -11.545 1.00 0.00 N ATOM 339 NH2 ARG A 27 12.901 4.303 -10.844 1.00 0.00 N ATOM 0 H ARG A 27 8.287 4.068 -13.891 1.00 0.00 H new ATOM 0 HA ARG A 27 6.623 2.543 -12.146 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.984 3.458 -10.421 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.046 3.215 -11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.146 5.538 -12.284 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.734 5.898 -11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.783 6.599 -10.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.969 5.333 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 27 10.746 3.857 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.044 6.832 -11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.706 6.492 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.882 3.428 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.742 4.574 -11.354 1.00 0.00 H new ATOM 353 N PRO A 28 4.941 4.106 -11.132 1.00 0.00 N ATOM 354 CA PRO A 28 3.810 4.937 -10.709 1.00 0.00 C ATOM 355 C PRO A 28 4.241 6.083 -9.800 1.00 0.00 C ATOM 356 O PRO A 28 5.199 5.956 -9.037 1.00 0.00 O ATOM 357 CB PRO A 28 2.916 3.957 -9.946 1.00 0.00 C ATOM 358 CG PRO A 28 3.842 2.894 -9.465 1.00 0.00 C ATOM 359 CD PRO A 28 4.910 2.769 -10.517 1.00 0.00 C ATOM 0 HA PRO A 28 3.317 5.415 -11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.411 4.448 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.141 3.544 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.274 3.160 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.315 1.949 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.874 2.504 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.667 1.997 -11.247 1.00 0.00 H new ATOM 367 N ILE A 29 3.529 7.201 -9.888 1.00 0.00 N ATOM 368 CA ILE A 29 3.838 8.369 -9.071 1.00 0.00 C ATOM 369 C ILE A 29 3.040 8.358 -7.772 1.00 0.00 C ATOM 370 O ILE A 29 1.839 8.626 -7.767 1.00 0.00 O ATOM 371 CB ILE A 29 3.546 9.678 -9.829 1.00 0.00 C ATOM 372 CG1 ILE A 29 4.373 9.744 -11.115 1.00 0.00 C ATOM 373 CG2 ILE A 29 3.840 10.879 -8.942 1.00 0.00 C ATOM 374 CD1 ILE A 29 3.680 9.128 -12.310 1.00 0.00 C ATOM 0 H ILE A 29 2.735 7.323 -10.516 1.00 0.00 H new ATOM 0 HA ILE A 29 4.902 8.321 -8.841 1.00 0.00 H new ATOM 0 HB ILE A 29 2.490 9.698 -10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.604 10.786 -11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.323 9.235 -10.953 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.629 11.797 -9.491 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.212 10.836 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.889 10.865 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.323 9.210 -13.186 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.473 8.077 -12.109 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.743 9.653 -12.498 1.00 0.00 H new ATOM 386 N GLY A 30 3.717 8.049 -6.670 1.00 0.00 N ATOM 387 CA GLY A 30 3.056 8.011 -5.379 1.00 0.00 C ATOM 388 C GLY A 30 2.392 6.675 -5.107 1.00 0.00 C ATOM 389 O GLY A 30 2.627 6.058 -4.068 1.00 0.00 O ATOM 0 H GLY A 30 4.712 7.824 -6.649 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.785 8.218 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.307 8.801 -5.334 1.00 0.00 H new ATOM 393 N SER A 31 1.559 6.229 -6.041 1.00 0.00 N ATOM 394 CA SER A 31 0.855 4.960 -5.895 1.00 0.00 C ATOM 395 C SER A 31 1.835 3.822 -5.631 1.00 0.00 C ATOM 396 O SER A 31 2.928 3.786 -6.196 1.00 0.00 O ATOM 397 CB SER A 31 0.033 4.661 -7.150 1.00 0.00 C ATOM 398 OG SER A 31 -1.148 5.443 -7.185 1.00 0.00 O ATOM 0 H SER A 31 1.355 6.727 -6.907 1.00 0.00 H new ATOM 0 HA SER A 31 0.183 5.042 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.633 4.863 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.227 3.603 -7.174 1.00 0.00 H new ATOM 0 HG SER A 31 -1.813 5.058 -6.577 1.00 0.00 H new ATOM 404 N TRP A 32 1.436 2.893 -4.770 1.00 0.00 N ATOM 405 CA TRP A 32 2.279 1.752 -4.431 1.00 0.00 C ATOM 406 C TRP A 32 1.735 0.470 -5.051 1.00 0.00 C ATOM 407 O TRP A 32 0.592 0.088 -4.804 1.00 0.00 O ATOM 408 CB TRP A 32 2.376 1.597 -2.912 1.00 0.00 C ATOM 409 CG TRP A 32 1.069 1.250 -2.266 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.097 2.120 -1.862 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.593 -0.062 -1.947 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.954 1.429 -1.312 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.675 0.088 -1.352 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.113 -1.349 -2.107 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.427 -1.000 -0.918 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.366 -2.428 -1.675 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.893 -2.249 -1.088 1.00 0.00 C ATOM 0 H TRP A 32 0.534 2.907 -4.294 1.00 0.00 H new ATOM 0 HA TRP A 32 3.275 1.935 -4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.106 0.821 -2.679 1.00 0.00 H new ATOM 0 HB3 TRP A 32 2.750 2.526 -2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.148 3.194 -1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.805 1.846 -0.935 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.082 -1.498 -2.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.397 -0.864 -0.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.760 -3.427 -1.792 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.453 -3.113 -0.763 1.00 0.00 H new ATOM 428 N GLU A 33 2.562 -0.190 -5.857 1.00 0.00 N ATOM 429 CA GLU A 33 2.161 -1.429 -6.512 1.00 0.00 C ATOM 430 C GLU A 33 2.196 -2.598 -5.532 1.00 0.00 C ATOM 431 O GLU A 33 3.004 -2.622 -4.604 1.00 0.00 O ATOM 432 CB GLU A 33 3.076 -1.721 -7.704 1.00 0.00 C ATOM 433 CG GLU A 33 2.498 -2.729 -8.682 1.00 0.00 C ATOM 434 CD GLU A 33 3.567 -3.422 -9.505 1.00 0.00 C ATOM 435 OE1 GLU A 33 4.342 -4.213 -8.928 1.00 0.00 O ATOM 436 OE2 GLU A 33 3.629 -3.172 -10.727 1.00 0.00 O ATOM 0 H GLU A 33 3.512 0.113 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 33 1.138 -1.307 -6.869 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.278 -0.789 -8.233 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.032 -2.092 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.926 -3.477 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.801 -2.223 -9.350 1.00 0.00 H new ATOM 443 N CYS A 34 1.312 -3.568 -5.746 1.00 0.00 N ATOM 444 CA CYS A 34 1.240 -4.740 -4.883 1.00 0.00 C ATOM 445 C CYS A 34 2.293 -5.772 -5.277 1.00 0.00 C ATOM 446 O CYS A 34 2.983 -5.617 -6.284 1.00 0.00 O ATOM 447 CB CYS A 34 -0.155 -5.366 -4.954 1.00 0.00 C ATOM 448 SG CYS A 34 -0.673 -6.203 -3.421 1.00 0.00 S ATOM 0 H CYS A 34 0.636 -3.565 -6.510 1.00 0.00 H new ATOM 0 HA CYS A 34 1.436 -4.419 -3.860 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.879 -4.587 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.178 -6.085 -5.773 1.00 0.00 H new ATOM 453 N SER A 35 2.409 -6.826 -4.475 1.00 0.00 N ATOM 454 CA SER A 35 3.380 -7.882 -4.737 1.00 0.00 C ATOM 455 C SER A 35 2.679 -9.211 -5.001 1.00 0.00 C ATOM 456 O SER A 35 3.117 -10.003 -5.835 1.00 0.00 O ATOM 457 CB SER A 35 4.341 -8.025 -3.556 1.00 0.00 C ATOM 458 OG SER A 35 5.389 -8.931 -3.858 1.00 0.00 O ATOM 0 H SER A 35 1.843 -6.971 -3.639 1.00 0.00 H new ATOM 0 HA SER A 35 3.947 -7.607 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.760 -7.051 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.795 -8.374 -2.679 1.00 0.00 H new ATOM 0 HG SER A 35 5.991 -9.004 -3.088 1.00 0.00 H new ATOM 464 N VAL A 36 1.586 -9.449 -4.282 1.00 0.00 N ATOM 465 CA VAL A 36 0.822 -10.682 -4.438 1.00 0.00 C ATOM 466 C VAL A 36 -0.012 -10.654 -5.713 1.00 0.00 C ATOM 467 O VAL A 36 -0.078 -11.641 -6.447 1.00 0.00 O ATOM 468 CB VAL A 36 -0.108 -10.921 -3.234 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.703 -11.131 -1.965 1.00 0.00 C ATOM 470 CG2 VAL A 36 -1.077 -9.759 -3.071 1.00 0.00 C ATOM 0 H VAL A 36 1.210 -8.805 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 36 1.544 -11.497 -4.498 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.688 -11.825 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.028 -11.298 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.352 -11.998 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.311 -10.247 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.727 -9.944 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.517 -8.838 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.682 -9.661 -3.972 1.00 0.00 H new ATOM 480 N CYS A 37 -0.648 -9.517 -5.973 1.00 0.00 N ATOM 481 CA CYS A 37 -1.479 -9.358 -7.160 1.00 0.00 C ATOM 482 C CYS A 37 -0.875 -8.331 -8.114 1.00 0.00 C ATOM 483 O CYS A 37 -1.259 -8.253 -9.282 1.00 0.00 O ATOM 484 CB CYS A 37 -2.895 -8.933 -6.765 1.00 0.00 C ATOM 485 SG CYS A 37 -3.020 -7.210 -6.188 1.00 0.00 S ATOM 0 H CYS A 37 -0.604 -8.691 -5.376 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.525 -10.320 -7.671 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.555 -9.067 -7.622 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.256 -9.596 -5.978 1.00 0.00 H new ATOM 490 N CYS A 38 0.070 -7.547 -7.608 1.00 0.00 N ATOM 491 CA CYS A 38 0.727 -6.524 -8.414 1.00 0.00 C ATOM 492 C CYS A 38 -0.293 -5.545 -8.986 1.00 0.00 C ATOM 493 O CYS A 38 -0.270 -5.233 -10.177 1.00 0.00 O ATOM 494 CB CYS A 38 1.522 -7.172 -9.548 1.00 0.00 C ATOM 495 SG CYS A 38 3.132 -7.821 -9.043 1.00 0.00 S ATOM 0 H CYS A 38 0.399 -7.600 -6.644 1.00 0.00 H new ATOM 0 HA CYS A 38 1.411 -5.972 -7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.932 -7.984 -9.973 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.670 -6.437 -10.339 1.00 0.00 H new ATOM 0 HG CYS A 38 3.525 -7.215 -7.962 1.00 0.00 H new ATOM 501 N VAL A 39 -1.189 -5.064 -8.130 1.00 0.00 N ATOM 502 CA VAL A 39 -2.218 -4.120 -8.550 1.00 0.00 C ATOM 503 C VAL A 39 -2.014 -2.757 -7.898 1.00 0.00 C ATOM 504 O VAL A 39 -1.683 -2.667 -6.716 1.00 0.00 O ATOM 505 CB VAL A 39 -3.628 -4.636 -8.204 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.682 -3.613 -8.598 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.888 -5.971 -8.885 1.00 0.00 C ATOM 0 H VAL A 39 -1.223 -5.313 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.131 -4.018 -9.632 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.687 -4.786 -7.126 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.671 -3.995 -8.346 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.504 -2.682 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.627 -3.428 -9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.888 -6.321 -8.630 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.811 -5.849 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.152 -6.701 -8.548 1.00 0.00 H new ATOM 517 N SER A 40 -2.213 -1.699 -8.677 1.00 0.00 N ATOM 518 CA SER A 40 -2.047 -0.339 -8.176 1.00 0.00 C ATOM 519 C SER A 40 -3.126 -0.003 -7.151 1.00 0.00 C ATOM 520 O SER A 40 -4.211 -0.583 -7.162 1.00 0.00 O ATOM 521 CB SER A 40 -2.096 0.662 -9.332 1.00 0.00 C ATOM 522 OG SER A 40 -3.351 0.622 -9.988 1.00 0.00 O ATOM 0 H SER A 40 -2.489 -1.757 -9.657 1.00 0.00 H new ATOM 0 HA SER A 40 -1.074 -0.273 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.911 1.668 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.302 0.438 -10.045 1.00 0.00 H new ATOM 0 HG SER A 40 -3.358 1.272 -10.722 1.00 0.00 H new ATOM 528 N ASN A 41 -2.818 0.939 -6.265 1.00 0.00 N ATOM 529 CA ASN A 41 -3.761 1.354 -5.232 1.00 0.00 C ATOM 530 C ASN A 41 -3.464 2.776 -4.765 1.00 0.00 C ATOM 531 O ASN A 41 -2.446 3.360 -5.130 1.00 0.00 O ATOM 532 CB ASN A 41 -3.702 0.392 -4.044 1.00 0.00 C ATOM 533 CG ASN A 41 -3.903 -1.053 -4.459 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.977 -1.433 -4.926 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.867 -1.866 -4.291 1.00 0.00 N ATOM 0 H ASN A 41 -1.924 1.429 -6.241 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.764 1.333 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.738 0.493 -3.546 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.467 0.668 -3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.942 -2.849 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.996 -1.508 -3.900 1.00 0.00 H new ATOM 542 N ASN A 42 -4.362 3.325 -3.953 1.00 0.00 N ATOM 543 CA ASN A 42 -4.197 4.678 -3.435 1.00 0.00 C ATOM 544 C ASN A 42 -2.972 4.769 -2.530 1.00 0.00 C ATOM 545 O ASN A 42 -2.808 3.969 -1.609 1.00 0.00 O ATOM 546 CB ASN A 42 -5.447 5.107 -2.664 1.00 0.00 C ATOM 547 CG ASN A 42 -6.704 5.024 -3.509 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.652 5.147 -4.732 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.842 4.815 -2.857 1.00 0.00 N ATOM 0 H ASN A 42 -5.211 2.854 -3.640 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.052 5.349 -4.282 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.562 4.475 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.318 6.129 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.720 4.750 -3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.838 4.719 -1.842 1.00 0.00 H new ATOM 556 N ALA A 43 -2.115 5.749 -2.799 1.00 0.00 N ATOM 557 CA ALA A 43 -0.907 5.946 -2.009 1.00 0.00 C ATOM 558 C ALA A 43 -1.219 5.929 -0.516 1.00 0.00 C ATOM 559 O ALA A 43 -0.490 5.328 0.272 1.00 0.00 O ATOM 560 CB ALA A 43 -0.231 7.253 -2.394 1.00 0.00 C ATOM 0 H ALA A 43 -2.236 6.419 -3.559 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.226 5.122 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.670 7.387 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.036 7.227 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.914 8.083 -2.212 1.00 0.00 H new ATOM 566 N GLU A 44 -2.306 6.593 -0.136 1.00 0.00 N ATOM 567 CA GLU A 44 -2.712 6.655 1.263 1.00 0.00 C ATOM 568 C GLU A 44 -3.106 5.273 1.777 1.00 0.00 C ATOM 569 O GLU A 44 -2.689 4.859 2.859 1.00 0.00 O ATOM 570 CB GLU A 44 -3.881 7.627 1.436 1.00 0.00 C ATOM 571 CG GLU A 44 -5.100 7.266 0.605 1.00 0.00 C ATOM 572 CD GLU A 44 -6.259 8.219 0.826 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.734 8.318 1.977 1.00 0.00 O ATOM 574 OE2 GLU A 44 -6.692 8.864 -0.152 1.00 0.00 O ATOM 0 H GLU A 44 -2.921 7.095 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.863 7.012 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.165 7.657 2.488 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.552 8.630 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.829 7.268 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.416 6.252 0.851 1.00 0.00 H new ATOM 581 N ASP A 45 -3.911 4.565 0.993 1.00 0.00 N ATOM 582 CA ASP A 45 -4.361 3.229 1.367 1.00 0.00 C ATOM 583 C ASP A 45 -3.174 2.309 1.630 1.00 0.00 C ATOM 584 O ASP A 45 -2.466 1.913 0.705 1.00 0.00 O ATOM 585 CB ASP A 45 -5.246 2.639 0.268 1.00 0.00 C ATOM 586 CG ASP A 45 -6.688 3.095 0.378 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.203 3.161 1.513 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.301 3.384 -0.671 1.00 0.00 O ATOM 0 H ASP A 45 -4.265 4.893 0.095 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.943 3.313 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.851 2.926 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.207 1.551 0.319 1.00 0.00 H new ATOM 593 N ASN A 46 -2.961 1.973 2.899 1.00 0.00 N ATOM 594 CA ASN A 46 -1.858 1.100 3.284 1.00 0.00 C ATOM 595 C ASN A 46 -2.212 -0.364 3.040 1.00 0.00 C ATOM 596 O ASN A 46 -1.511 -1.268 3.497 1.00 0.00 O ATOM 597 CB ASN A 46 -1.502 1.313 4.756 1.00 0.00 C ATOM 598 CG ASN A 46 -0.034 1.059 5.039 1.00 0.00 C ATOM 599 OD1 ASN A 46 0.841 1.570 4.341 1.00 0.00 O ATOM 600 ND2 ASN A 46 0.242 0.265 6.067 1.00 0.00 N ATOM 0 H ASN A 46 -3.538 2.292 3.677 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.995 1.353 2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.753 2.334 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.108 0.650 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.212 0.057 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.516 -0.137 6.619 1.00 0.00 H new ATOM 607 N LYS A 47 -3.304 -0.591 2.318 1.00 0.00 N ATOM 608 CA LYS A 47 -3.751 -1.944 2.011 1.00 0.00 C ATOM 609 C LYS A 47 -4.262 -2.037 0.577 1.00 0.00 C ATOM 610 O LYS A 47 -4.551 -1.021 -0.056 1.00 0.00 O ATOM 611 CB LYS A 47 -4.852 -2.372 2.984 1.00 0.00 C ATOM 612 CG LYS A 47 -4.324 -2.893 4.310 1.00 0.00 C ATOM 613 CD LYS A 47 -5.368 -3.719 5.041 1.00 0.00 C ATOM 614 CE LYS A 47 -4.908 -4.085 6.444 1.00 0.00 C ATOM 615 NZ LYS A 47 -5.279 -3.040 7.438 1.00 0.00 N ATOM 0 H LYS A 47 -3.896 0.146 1.934 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.898 -2.614 2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.509 -1.523 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.459 -3.146 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.436 -3.500 4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.019 -2.054 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.302 -3.159 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.575 -4.628 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.351 -5.037 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.827 -4.223 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.948 -3.326 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.835 -2.137 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.313 -2.926 7.453 1.00 0.00 H new ATOM 629 N CYS A 48 -4.371 -3.260 0.070 1.00 0.00 N ATOM 630 CA CYS A 48 -4.848 -3.486 -1.289 1.00 0.00 C ATOM 631 C CYS A 48 -6.371 -3.578 -1.323 1.00 0.00 C ATOM 632 O CYS A 48 -7.024 -3.631 -0.281 1.00 0.00 O ATOM 633 CB CYS A 48 -4.235 -4.766 -1.860 1.00 0.00 C ATOM 634 SG CYS A 48 -4.165 -4.808 -3.680 1.00 0.00 S ATOM 0 H CYS A 48 -4.135 -4.111 0.581 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.540 -2.639 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.225 -4.880 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.813 -5.621 -1.509 1.00 0.00 H new ATOM 639 N VAL A 49 -6.930 -3.598 -2.528 1.00 0.00 N ATOM 640 CA VAL A 49 -8.375 -3.685 -2.699 1.00 0.00 C ATOM 641 C VAL A 49 -8.767 -4.974 -3.412 1.00 0.00 C ATOM 642 O VAL A 49 -9.816 -5.556 -3.134 1.00 0.00 O ATOM 643 CB VAL A 49 -8.920 -2.485 -3.496 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.609 -1.181 -2.777 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.345 -2.476 -4.905 1.00 0.00 C ATOM 0 H VAL A 49 -6.404 -3.555 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.812 -3.677 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.003 -2.582 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.002 -0.344 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.073 -1.190 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.530 -1.073 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.741 -1.622 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.259 -2.403 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.623 -3.397 -5.417 1.00 0.00 H new ATOM 655 N SER A 50 -7.918 -5.417 -4.334 1.00 0.00 N ATOM 656 CA SER A 50 -8.176 -6.636 -5.090 1.00 0.00 C ATOM 657 C SER A 50 -7.885 -7.872 -4.244 1.00 0.00 C ATOM 658 O SER A 50 -8.649 -8.838 -4.250 1.00 0.00 O ATOM 659 CB SER A 50 -7.327 -6.663 -6.362 1.00 0.00 C ATOM 660 OG SER A 50 -7.918 -7.486 -7.352 1.00 0.00 O ATOM 0 H SER A 50 -7.045 -4.949 -4.575 1.00 0.00 H new ATOM 0 HA SER A 50 -9.230 -6.646 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.212 -5.650 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.328 -7.030 -6.128 1.00 0.00 H new ATOM 0 HG SER A 50 -7.357 -7.485 -8.156 1.00 0.00 H new ATOM 666 N CYS A 51 -6.774 -7.834 -3.515 1.00 0.00 N ATOM 667 CA CYS A 51 -6.379 -8.949 -2.664 1.00 0.00 C ATOM 668 C CYS A 51 -6.415 -8.549 -1.192 1.00 0.00 C ATOM 669 O CYS A 51 -6.426 -9.403 -0.306 1.00 0.00 O ATOM 670 CB CYS A 51 -4.976 -9.433 -3.038 1.00 0.00 C ATOM 671 SG CYS A 51 -3.642 -8.297 -2.540 1.00 0.00 S ATOM 0 H CYS A 51 -6.131 -7.042 -3.497 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.089 -9.761 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.803 -10.405 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.929 -9.581 -4.117 1.00 0.00 H new ATOM 676 N MET A 52 -6.434 -7.244 -0.939 1.00 0.00 N ATOM 677 CA MET A 52 -6.470 -6.731 0.425 1.00 0.00 C ATOM 678 C MET A 52 -5.278 -7.240 1.229 1.00 0.00 C ATOM 679 O MET A 52 -5.434 -7.717 2.353 1.00 0.00 O ATOM 680 CB MET A 52 -7.775 -7.138 1.112 1.00 0.00 C ATOM 681 CG MET A 52 -9.014 -6.538 0.467 1.00 0.00 C ATOM 682 SD MET A 52 -10.508 -6.822 1.436 1.00 0.00 S ATOM 683 CE MET A 52 -11.772 -6.380 0.247 1.00 0.00 C ATOM 0 H MET A 52 -6.425 -6.523 -1.661 1.00 0.00 H new ATOM 0 HA MET A 52 -6.417 -5.643 0.379 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.859 -8.225 1.100 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.736 -6.833 2.158 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.868 -5.466 0.337 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.144 -6.965 -0.528 1.00 0.00 H new ATOM 0 HE1 MET A 52 -12.756 -6.504 0.699 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.640 -5.341 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.691 -7.026 -0.627 1.00 0.00 H new ATOM 693 N SER A 53 -4.088 -7.134 0.647 1.00 0.00 N ATOM 694 CA SER A 53 -2.870 -7.587 1.308 1.00 0.00 C ATOM 695 C SER A 53 -2.094 -6.408 1.886 1.00 0.00 C ATOM 696 O SER A 53 -2.040 -5.334 1.287 1.00 0.00 O ATOM 697 CB SER A 53 -1.988 -8.360 0.325 1.00 0.00 C ATOM 698 OG SER A 53 -0.776 -8.765 0.938 1.00 0.00 O ATOM 0 H SER A 53 -3.941 -6.738 -0.282 1.00 0.00 H new ATOM 0 HA SER A 53 -3.155 -8.248 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.525 -9.236 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.770 -7.736 -0.542 1.00 0.00 H new ATOM 0 HG SER A 53 -0.231 -9.258 0.290 1.00 0.00 H new ATOM 704 N GLU A 54 -1.496 -6.617 3.055 1.00 0.00 N ATOM 705 CA GLU A 54 -0.724 -5.570 3.715 1.00 0.00 C ATOM 706 C GLU A 54 0.357 -5.024 2.786 1.00 0.00 C ATOM 707 O GLU A 54 0.949 -5.763 2.000 1.00 0.00 O ATOM 708 CB GLU A 54 -0.085 -6.109 4.997 1.00 0.00 C ATOM 709 CG GLU A 54 -1.091 -6.429 6.090 1.00 0.00 C ATOM 710 CD GLU A 54 -1.370 -5.244 6.993 1.00 0.00 C ATOM 711 OE1 GLU A 54 -0.563 -4.290 6.984 1.00 0.00 O ATOM 712 OE2 GLU A 54 -2.393 -5.269 7.708 1.00 0.00 O ATOM 0 H GLU A 54 -1.531 -7.500 3.564 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.404 -4.758 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.480 -7.010 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.628 -5.375 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.024 -6.761 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.717 -7.258 6.691 1.00 0.00 H new ATOM 719 N LYS A 55 0.609 -3.723 2.882 1.00 0.00 N ATOM 720 CA LYS A 55 1.618 -3.075 2.053 1.00 0.00 C ATOM 721 C LYS A 55 2.993 -3.153 2.708 1.00 0.00 C ATOM 722 O LYS A 55 3.152 -2.911 3.905 1.00 0.00 O ATOM 723 CB LYS A 55 1.242 -1.612 1.806 1.00 0.00 C ATOM 724 CG LYS A 55 2.233 -0.869 0.928 1.00 0.00 C ATOM 725 CD LYS A 55 1.817 0.577 0.716 1.00 0.00 C ATOM 726 CE LYS A 55 2.296 1.467 1.852 1.00 0.00 C ATOM 727 NZ LYS A 55 3.650 2.026 1.585 1.00 0.00 N ATOM 0 H LYS A 55 0.128 -3.096 3.527 1.00 0.00 H new ATOM 0 HA LYS A 55 1.659 -3.600 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.257 -1.572 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.163 -1.099 2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.221 -0.900 1.387 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.313 -1.370 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.224 0.939 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.731 0.637 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.588 2.283 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.316 0.894 2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.941 2.627 2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.331 1.248 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.625 2.594 0.714 1.00 0.00 H new ATOM 741 N PRO A 56 4.012 -3.498 1.907 1.00 0.00 N ATOM 742 CA PRO A 56 5.392 -3.614 2.387 1.00 0.00 C ATOM 743 C PRO A 56 5.999 -2.261 2.740 1.00 0.00 C ATOM 744 O PRO A 56 5.828 -1.284 2.012 1.00 0.00 O ATOM 745 CB PRO A 56 6.129 -4.238 1.200 1.00 0.00 C ATOM 746 CG PRO A 56 5.325 -3.849 0.008 1.00 0.00 C ATOM 747 CD PRO A 56 3.895 -3.801 0.470 1.00 0.00 C ATOM 0 HA PRO A 56 5.457 -4.201 3.303 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.150 -3.865 1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.192 -5.322 1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.643 -2.880 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.450 -4.571 -0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.328 -3.034 -0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.385 -4.749 0.299 1.00 0.00 H new ATOM 755 N GLY A 57 6.709 -2.210 3.863 1.00 0.00 N ATOM 756 CA GLY A 57 7.331 -0.971 4.292 1.00 0.00 C ATOM 757 C GLY A 57 6.615 -0.341 5.470 1.00 0.00 C ATOM 758 O GLY A 57 6.836 0.838 5.745 1.00 0.00 O ATOM 0 H GLY A 57 6.864 -3.005 4.483 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.369 -1.164 4.562 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.344 -0.267 3.460 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.888 -6.760 -3.993 1.00 0.00 ZN