USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 8 SER OG : rot 40:sc= 0.66 USER MOD Single : A 9 SER OG : rot 180:sc= -0.11 USER MOD Single : A 10 SER OG : rot 23:sc= 0.537 USER MOD Single : A 11 SER OG : rot -56:sc= 0.881 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 40:sc= 0.116 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 18 THR OG1 : rot 40:sc= 0.73 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 180:sc= -0.46 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -43:sc= 0.344 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -4.53! C(o=-4.5!,f=-4.7!) USER MOD Single : A 42 ASN : amide:sc= -0.86 K(o=-0.86,f=-4!) USER MOD Single : A 46 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ -106:sc= -1.01 (180deg=-3.37!) USER MOD Single : A 50 SER OG : rot -160:sc= 0 USER MOD Single : A 52 MET CE :methyl 160:sc= -0.913 (180deg=-1.36) USER MOD Single : A 53 SER OG : rot -103:sc= 0.566 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.941 -5.182 24.391 1.00 0.00 N ATOM 2 CA GLY A 1 11.335 -3.967 24.903 1.00 0.00 C ATOM 3 C GLY A 1 12.122 -2.725 24.531 1.00 0.00 C ATOM 4 O GLY A 1 11.963 -2.187 23.435 1.00 0.00 O ATOM 0 H1 GLY A 1 11.366 -6.002 24.672 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.992 -5.134 23.353 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.900 -5.282 24.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.320 -3.880 24.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.257 -4.033 25.988 1.00 0.00 H new ATOM 8 N SER A 2 12.971 -2.268 25.445 1.00 0.00 N ATOM 9 CA SER A 2 13.781 -1.079 25.210 1.00 0.00 C ATOM 10 C SER A 2 14.570 -1.208 23.910 1.00 0.00 C ATOM 11 O SER A 2 14.471 -0.360 23.024 1.00 0.00 O ATOM 12 CB SER A 2 14.739 -0.848 26.380 1.00 0.00 C ATOM 13 OG SER A 2 14.097 -0.151 27.434 1.00 0.00 O ATOM 0 H SER A 2 13.116 -2.703 26.356 1.00 0.00 H new ATOM 0 HA SER A 2 13.110 -0.224 25.125 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.109 -1.806 26.746 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.605 -0.281 26.039 1.00 0.00 H new ATOM 0 HG SER A 2 14.729 -0.017 28.171 1.00 0.00 H new ATOM 19 N SER A 3 15.355 -2.276 23.805 1.00 0.00 N ATOM 20 CA SER A 3 16.165 -2.515 22.616 1.00 0.00 C ATOM 21 C SER A 3 15.603 -3.677 21.802 1.00 0.00 C ATOM 22 O SER A 3 15.312 -4.744 22.340 1.00 0.00 O ATOM 23 CB SER A 3 17.614 -2.807 23.011 1.00 0.00 C ATOM 24 OG SER A 3 18.231 -1.661 23.569 1.00 0.00 O ATOM 0 H SER A 3 15.447 -2.989 24.529 1.00 0.00 H new ATOM 0 HA SER A 3 16.138 -1.616 22.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.640 -3.625 23.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.174 -3.135 22.135 1.00 0.00 H new ATOM 0 HG SER A 3 19.155 -1.874 23.815 1.00 0.00 H new ATOM 30 N GLY A 4 15.455 -3.460 20.498 1.00 0.00 N ATOM 31 CA GLY A 4 14.929 -4.496 19.629 1.00 0.00 C ATOM 32 C GLY A 4 15.991 -5.088 18.724 1.00 0.00 C ATOM 33 O GLY A 4 16.847 -4.370 18.208 1.00 0.00 O ATOM 0 H GLY A 4 15.690 -2.585 20.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.491 -5.288 20.237 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.126 -4.081 19.019 1.00 0.00 H new ATOM 37 N SER A 5 15.938 -6.403 18.533 1.00 0.00 N ATOM 38 CA SER A 5 16.906 -7.092 17.688 1.00 0.00 C ATOM 39 C SER A 5 16.430 -7.137 16.240 1.00 0.00 C ATOM 40 O SER A 5 15.249 -6.932 15.956 1.00 0.00 O ATOM 41 CB SER A 5 17.143 -8.513 18.203 1.00 0.00 C ATOM 42 OG SER A 5 16.080 -9.373 17.834 1.00 0.00 O ATOM 0 H SER A 5 15.235 -7.012 18.952 1.00 0.00 H new ATOM 0 HA SER A 5 17.844 -6.537 17.726 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.081 -8.897 17.802 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.243 -8.498 19.288 1.00 0.00 H new ATOM 0 HG SER A 5 16.256 -10.275 18.173 1.00 0.00 H new ATOM 48 N SER A 6 17.357 -7.405 15.326 1.00 0.00 N ATOM 49 CA SER A 6 17.034 -7.473 13.906 1.00 0.00 C ATOM 50 C SER A 6 16.208 -8.718 13.596 1.00 0.00 C ATOM 51 O SER A 6 16.033 -9.589 14.447 1.00 0.00 O ATOM 52 CB SER A 6 18.315 -7.476 13.069 1.00 0.00 C ATOM 53 OG SER A 6 18.034 -7.213 11.706 1.00 0.00 O ATOM 0 H SER A 6 18.338 -7.579 15.544 1.00 0.00 H new ATOM 0 HA SER A 6 16.444 -6.593 13.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.006 -6.725 13.453 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.811 -8.442 13.161 1.00 0.00 H new ATOM 0 HG SER A 6 18.869 -7.219 11.193 1.00 0.00 H new ATOM 59 N GLY A 7 15.703 -8.795 12.368 1.00 0.00 N ATOM 60 CA GLY A 7 14.901 -9.936 11.966 1.00 0.00 C ATOM 61 C GLY A 7 13.421 -9.612 11.906 1.00 0.00 C ATOM 62 O GLY A 7 12.670 -9.937 12.826 1.00 0.00 O ATOM 0 H GLY A 7 15.835 -8.088 11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.234 -10.284 10.988 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.062 -10.755 12.667 1.00 0.00 H new ATOM 66 N SER A 8 13.001 -8.969 10.822 1.00 0.00 N ATOM 67 CA SER A 8 11.602 -8.596 10.648 1.00 0.00 C ATOM 68 C SER A 8 11.143 -8.861 9.217 1.00 0.00 C ATOM 69 O SER A 8 11.517 -8.142 8.291 1.00 0.00 O ATOM 70 CB SER A 8 11.398 -7.121 10.996 1.00 0.00 C ATOM 71 OG SER A 8 12.229 -6.290 10.204 1.00 0.00 O ATOM 0 H SER A 8 13.609 -8.695 10.050 1.00 0.00 H new ATOM 0 HA SER A 8 11.002 -9.207 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.354 -6.849 10.842 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.617 -6.960 12.051 1.00 0.00 H new ATOM 0 HG SER A 8 12.254 -6.632 9.286 1.00 0.00 H new ATOM 77 N SER A 9 10.330 -9.898 9.046 1.00 0.00 N ATOM 78 CA SER A 9 9.822 -10.261 7.728 1.00 0.00 C ATOM 79 C SER A 9 8.425 -10.866 7.832 1.00 0.00 C ATOM 80 O SER A 9 8.213 -11.850 8.541 1.00 0.00 O ATOM 81 CB SER A 9 10.769 -11.252 7.048 1.00 0.00 C ATOM 82 OG SER A 9 10.294 -11.611 5.762 1.00 0.00 O ATOM 0 H SER A 9 10.009 -10.502 9.803 1.00 0.00 H new ATOM 0 HA SER A 9 9.763 -9.354 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.762 -10.811 6.962 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.869 -12.145 7.664 1.00 0.00 H new ATOM 0 HG SER A 9 10.917 -12.244 5.348 1.00 0.00 H new ATOM 88 N SER A 10 7.474 -10.269 7.120 1.00 0.00 N ATOM 89 CA SER A 10 6.096 -10.745 7.134 1.00 0.00 C ATOM 90 C SER A 10 5.503 -10.734 5.729 1.00 0.00 C ATOM 91 O SER A 10 5.510 -9.708 5.048 1.00 0.00 O ATOM 92 CB SER A 10 5.245 -9.880 8.066 1.00 0.00 C ATOM 93 OG SER A 10 5.117 -8.562 7.563 1.00 0.00 O ATOM 0 H SER A 10 7.633 -9.455 6.526 1.00 0.00 H new ATOM 0 HA SER A 10 6.096 -11.771 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.257 -10.326 8.180 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.699 -9.852 9.057 1.00 0.00 H new ATOM 0 HG SER A 10 5.277 -8.564 6.596 1.00 0.00 H new ATOM 99 N SER A 11 4.989 -11.882 5.301 1.00 0.00 N ATOM 100 CA SER A 11 4.395 -12.007 3.975 1.00 0.00 C ATOM 101 C SER A 11 5.353 -11.503 2.900 1.00 0.00 C ATOM 102 O SER A 11 4.941 -10.846 1.943 1.00 0.00 O ATOM 103 CB SER A 11 3.079 -11.228 3.907 1.00 0.00 C ATOM 104 OG SER A 11 3.310 -9.862 3.609 1.00 0.00 O ATOM 0 H SER A 11 4.972 -12.739 5.853 1.00 0.00 H new ATOM 0 HA SER A 11 4.195 -13.063 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.433 -11.665 3.146 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.553 -11.312 4.858 1.00 0.00 H new ATOM 0 HG SER A 11 3.921 -9.481 4.274 1.00 0.00 H new ATOM 110 N CYS A 12 6.634 -11.815 3.066 1.00 0.00 N ATOM 111 CA CYS A 12 7.653 -11.393 2.111 1.00 0.00 C ATOM 112 C CYS A 12 8.091 -12.561 1.232 1.00 0.00 C ATOM 113 O CYS A 12 8.393 -13.646 1.728 1.00 0.00 O ATOM 114 CB CYS A 12 8.861 -10.811 2.846 1.00 0.00 C ATOM 115 SG CYS A 12 10.195 -10.262 1.756 1.00 0.00 S ATOM 0 H CYS A 12 6.991 -12.358 3.852 1.00 0.00 H new ATOM 0 HA CYS A 12 7.221 -10.623 1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 12 8.532 -9.967 3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 12 9.253 -11.563 3.531 1.00 0.00 H new ATOM 0 HG CYS A 12 11.170 -9.784 2.470 1.00 0.00 H new ATOM 121 N THR A 13 8.121 -12.331 -0.077 1.00 0.00 N ATOM 122 CA THR A 13 8.518 -13.363 -1.025 1.00 0.00 C ATOM 123 C THR A 13 9.929 -13.116 -1.548 1.00 0.00 C ATOM 124 O THR A 13 10.238 -12.031 -2.039 1.00 0.00 O ATOM 125 CB THR A 13 7.546 -13.435 -2.218 1.00 0.00 C ATOM 126 OG1 THR A 13 7.387 -12.135 -2.799 1.00 0.00 O ATOM 127 CG2 THR A 13 6.191 -13.970 -1.781 1.00 0.00 C ATOM 0 H THR A 13 7.875 -11.438 -0.504 1.00 0.00 H new ATOM 0 HA THR A 13 8.493 -14.311 -0.488 1.00 0.00 H new ATOM 0 HB THR A 13 7.965 -14.115 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.253 -11.676 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.522 -14.012 -2.640 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.312 -14.971 -1.366 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.767 -13.312 -1.023 1.00 0.00 H new ATOM 135 N VAL A 14 10.781 -14.130 -1.439 1.00 0.00 N ATOM 136 CA VAL A 14 12.160 -14.023 -1.903 1.00 0.00 C ATOM 137 C VAL A 14 12.238 -14.125 -3.422 1.00 0.00 C ATOM 138 O VAL A 14 13.099 -13.511 -4.053 1.00 0.00 O ATOM 139 CB VAL A 14 13.048 -15.117 -1.280 1.00 0.00 C ATOM 140 CG1 VAL A 14 13.186 -14.903 0.220 1.00 0.00 C ATOM 141 CG2 VAL A 14 12.482 -16.497 -1.580 1.00 0.00 C ATOM 0 H VAL A 14 10.541 -15.035 -1.034 1.00 0.00 H new ATOM 0 HA VAL A 14 12.525 -13.045 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 14 14.041 -15.052 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.817 -15.685 0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.640 -13.930 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.201 -14.940 0.685 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.122 -17.258 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.478 -16.577 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.441 -16.647 -2.659 1.00 0.00 H new ATOM 151 N THR A 15 11.332 -14.904 -4.005 1.00 0.00 N ATOM 152 CA THR A 15 11.299 -15.087 -5.450 1.00 0.00 C ATOM 153 C THR A 15 9.922 -14.754 -6.015 1.00 0.00 C ATOM 154 O THR A 15 8.898 -15.047 -5.397 1.00 0.00 O ATOM 155 CB THR A 15 11.666 -16.531 -5.843 1.00 0.00 C ATOM 156 OG1 THR A 15 11.702 -16.657 -7.268 1.00 0.00 O ATOM 157 CG2 THR A 15 10.663 -17.520 -5.267 1.00 0.00 C ATOM 0 H THR A 15 10.611 -15.418 -3.498 1.00 0.00 H new ATOM 0 HA THR A 15 12.037 -14.405 -5.871 1.00 0.00 H new ATOM 0 HB THR A 15 12.651 -16.756 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 15 11.938 -17.577 -7.509 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.943 -18.533 -5.558 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.659 -17.443 -4.180 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.668 -17.294 -5.651 1.00 0.00 H new ATOM 165 N THR A 16 9.905 -14.139 -7.194 1.00 0.00 N ATOM 166 CA THR A 16 8.654 -13.765 -7.842 1.00 0.00 C ATOM 167 C THR A 16 8.759 -13.897 -9.357 1.00 0.00 C ATOM 168 O THR A 16 9.847 -13.811 -9.923 1.00 0.00 O ATOM 169 CB THR A 16 8.249 -12.321 -7.490 1.00 0.00 C ATOM 170 OG1 THR A 16 6.993 -12.003 -8.099 1.00 0.00 O ATOM 171 CG2 THR A 16 9.308 -11.334 -7.955 1.00 0.00 C ATOM 0 H THR A 16 10.743 -13.890 -7.719 1.00 0.00 H new ATOM 0 HA THR A 16 7.890 -14.449 -7.473 1.00 0.00 H new ATOM 0 HB THR A 16 8.156 -12.246 -6.407 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.741 -11.084 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.000 -10.321 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.256 -11.561 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.428 -11.411 -9.036 1.00 0.00 H new ATOM 179 N GLY A 17 7.618 -14.105 -10.009 1.00 0.00 N ATOM 180 CA GLY A 17 7.605 -14.245 -11.453 1.00 0.00 C ATOM 181 C GLY A 17 8.445 -13.191 -12.145 1.00 0.00 C ATOM 182 O GLY A 17 8.121 -12.003 -12.108 1.00 0.00 O ATOM 0 H GLY A 17 6.704 -14.179 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.975 -15.234 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.578 -14.180 -11.812 1.00 0.00 H new ATOM 186 N THR A 18 9.531 -13.624 -12.779 1.00 0.00 N ATOM 187 CA THR A 18 10.422 -12.709 -13.481 1.00 0.00 C ATOM 188 C THR A 18 9.689 -11.975 -14.598 1.00 0.00 C ATOM 189 O THR A 18 9.279 -12.581 -15.588 1.00 0.00 O ATOM 190 CB THR A 18 11.633 -13.451 -14.078 1.00 0.00 C ATOM 191 OG1 THR A 18 11.189 -14.437 -15.016 1.00 0.00 O ATOM 192 CG2 THR A 18 12.452 -14.119 -12.983 1.00 0.00 C ATOM 0 H THR A 18 9.814 -14.603 -12.820 1.00 0.00 H new ATOM 0 HA THR A 18 10.775 -11.986 -12.746 1.00 0.00 H new ATOM 0 HB THR A 18 12.263 -12.722 -14.588 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.441 -14.078 -15.538 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.302 -14.637 -13.428 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.813 -13.363 -12.286 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.829 -14.837 -12.449 1.00 0.00 H new ATOM 200 N LEU A 19 9.528 -10.667 -14.433 1.00 0.00 N ATOM 201 CA LEU A 19 8.844 -9.849 -15.429 1.00 0.00 C ATOM 202 C LEU A 19 9.812 -9.391 -16.515 1.00 0.00 C ATOM 203 O LEU A 19 10.699 -8.575 -16.266 1.00 0.00 O ATOM 204 CB LEU A 19 8.196 -8.634 -14.762 1.00 0.00 C ATOM 205 CG LEU A 19 6.874 -8.892 -14.038 1.00 0.00 C ATOM 206 CD1 LEU A 19 6.641 -7.843 -12.962 1.00 0.00 C ATOM 207 CD2 LEU A 19 5.718 -8.909 -15.028 1.00 0.00 C ATOM 0 H LEU A 19 9.861 -10.150 -13.619 1.00 0.00 H new ATOM 0 HA LEU A 19 8.068 -10.458 -15.893 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.904 -8.217 -14.046 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.028 -7.873 -15.524 1.00 0.00 H new ATOM 0 HG LEU A 19 6.930 -9.869 -13.558 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.696 -8.043 -12.458 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.454 -7.879 -12.237 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.606 -6.854 -13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.785 -9.094 -14.495 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.661 -7.947 -15.537 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.879 -9.699 -15.762 1.00 0.00 H new ATOM 219 N GLY A 20 9.634 -9.920 -17.722 1.00 0.00 N ATOM 220 CA GLY A 20 10.498 -9.551 -18.828 1.00 0.00 C ATOM 221 C GLY A 20 10.526 -8.055 -19.069 1.00 0.00 C ATOM 222 O GLY A 20 11.362 -7.345 -18.511 1.00 0.00 O ATOM 0 H GLY A 20 8.907 -10.597 -17.953 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.510 -9.902 -18.627 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.159 -10.055 -19.733 1.00 0.00 H new ATOM 226 N PHE A 21 9.610 -7.575 -19.903 1.00 0.00 N ATOM 227 CA PHE A 21 9.534 -6.153 -20.219 1.00 0.00 C ATOM 228 C PHE A 21 8.914 -5.371 -19.064 1.00 0.00 C ATOM 229 O PHE A 21 9.510 -4.426 -18.550 1.00 0.00 O ATOM 230 CB PHE A 21 8.717 -5.935 -21.494 1.00 0.00 C ATOM 231 CG PHE A 21 9.493 -6.188 -22.754 1.00 0.00 C ATOM 232 CD1 PHE A 21 10.632 -5.453 -23.042 1.00 0.00 C ATOM 233 CD2 PHE A 21 9.085 -7.162 -23.652 1.00 0.00 C ATOM 234 CE1 PHE A 21 11.349 -5.683 -24.201 1.00 0.00 C ATOM 235 CE2 PHE A 21 9.798 -7.397 -24.812 1.00 0.00 C ATOM 236 CZ PHE A 21 10.931 -6.656 -25.087 1.00 0.00 C ATOM 0 H PHE A 21 8.910 -8.149 -20.372 1.00 0.00 H new ATOM 0 HA PHE A 21 10.548 -5.787 -20.379 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.847 -6.591 -21.475 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.344 -4.911 -21.506 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.964 -4.691 -22.352 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.200 -7.744 -23.443 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.235 -5.103 -24.413 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.470 -8.159 -25.503 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.489 -6.837 -25.994 1.00 0.00 H new ATOM 246 N GLY A 22 7.712 -5.774 -18.662 1.00 0.00 N ATOM 247 CA GLY A 22 7.030 -5.101 -17.572 1.00 0.00 C ATOM 248 C GLY A 22 6.078 -4.028 -18.059 1.00 0.00 C ATOM 249 O GLY A 22 5.969 -3.783 -19.261 1.00 0.00 O ATOM 0 H GLY A 22 7.199 -6.554 -19.072 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.477 -5.835 -16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.768 -4.653 -16.907 1.00 0.00 H new ATOM 253 N ASP A 23 5.384 -3.387 -17.125 1.00 0.00 N ATOM 254 CA ASP A 23 4.435 -2.333 -17.465 1.00 0.00 C ATOM 255 C ASP A 23 5.161 -1.087 -17.963 1.00 0.00 C ATOM 256 O ASP A 23 4.859 -0.567 -19.038 1.00 0.00 O ATOM 257 CB ASP A 23 3.570 -1.985 -16.252 1.00 0.00 C ATOM 258 CG ASP A 23 3.089 -3.217 -15.511 1.00 0.00 C ATOM 259 OD1 ASP A 23 2.230 -3.939 -16.058 1.00 0.00 O ATOM 260 OD2 ASP A 23 3.572 -3.458 -14.385 1.00 0.00 O ATOM 0 H ASP A 23 5.461 -3.579 -16.126 1.00 0.00 H new ATOM 0 HA ASP A 23 3.793 -2.701 -18.265 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.142 -1.355 -15.571 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.709 -1.402 -16.579 1.00 0.00 H new ATOM 265 N LYS A 24 6.118 -0.612 -17.174 1.00 0.00 N ATOM 266 CA LYS A 24 6.888 0.573 -17.533 1.00 0.00 C ATOM 267 C LYS A 24 8.343 0.428 -17.100 1.00 0.00 C ATOM 268 O LYS A 24 8.683 -0.460 -16.319 1.00 0.00 O ATOM 269 CB LYS A 24 6.275 1.819 -16.890 1.00 0.00 C ATOM 270 CG LYS A 24 6.610 3.108 -17.620 1.00 0.00 C ATOM 271 CD LYS A 24 5.513 4.146 -17.452 1.00 0.00 C ATOM 272 CE LYS A 24 5.650 5.271 -18.466 1.00 0.00 C ATOM 273 NZ LYS A 24 5.116 6.558 -17.941 1.00 0.00 N ATOM 0 H LYS A 24 6.379 -1.030 -16.281 1.00 0.00 H new ATOM 0 HA LYS A 24 6.859 0.680 -18.617 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.192 1.703 -16.853 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.622 1.894 -15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.551 3.507 -17.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.756 2.900 -18.680 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.539 3.669 -17.565 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.551 4.557 -16.443 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.700 5.395 -18.732 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.119 5.003 -19.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.228 7.300 -18.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.108 6.448 -17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.639 6.827 -17.083 1.00 0.00 H new ATOM 287 N PHE A 25 9.199 1.307 -17.611 1.00 0.00 N ATOM 288 CA PHE A 25 10.618 1.277 -17.277 1.00 0.00 C ATOM 289 C PHE A 25 10.846 1.716 -15.833 1.00 0.00 C ATOM 290 O PHE A 25 11.622 1.101 -15.101 1.00 0.00 O ATOM 291 CB PHE A 25 11.407 2.181 -18.227 1.00 0.00 C ATOM 292 CG PHE A 25 11.360 1.731 -19.659 1.00 0.00 C ATOM 293 CD1 PHE A 25 11.886 0.505 -20.031 1.00 0.00 C ATOM 294 CD2 PHE A 25 10.791 2.535 -20.633 1.00 0.00 C ATOM 295 CE1 PHE A 25 11.845 0.087 -21.349 1.00 0.00 C ATOM 296 CE2 PHE A 25 10.746 2.123 -21.952 1.00 0.00 C ATOM 297 CZ PHE A 25 11.274 0.898 -22.310 1.00 0.00 C ATOM 0 H PHE A 25 8.934 2.049 -18.258 1.00 0.00 H new ATOM 0 HA PHE A 25 10.970 0.251 -17.387 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.014 3.196 -18.160 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.446 2.219 -17.900 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.334 -0.132 -19.283 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.378 3.494 -20.359 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.259 -0.871 -21.626 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.298 2.759 -22.702 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.240 0.575 -23.340 1.00 0.00 H new ATOM 307 N LYS A 26 10.164 2.783 -15.431 1.00 0.00 N ATOM 308 CA LYS A 26 10.290 3.305 -14.075 1.00 0.00 C ATOM 309 C LYS A 26 9.086 2.909 -13.226 1.00 0.00 C ATOM 310 O LYS A 26 8.134 2.308 -13.724 1.00 0.00 O ATOM 311 CB LYS A 26 10.427 4.829 -14.105 1.00 0.00 C ATOM 312 CG LYS A 26 11.838 5.307 -14.403 1.00 0.00 C ATOM 313 CD LYS A 26 12.110 6.665 -13.779 1.00 0.00 C ATOM 314 CE LYS A 26 13.595 6.995 -13.789 1.00 0.00 C ATOM 315 NZ LYS A 26 14.011 7.642 -15.064 1.00 0.00 N ATOM 0 H LYS A 26 9.518 3.303 -16.025 1.00 0.00 H new ATOM 0 HA LYS A 26 11.186 2.874 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.749 5.232 -14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.111 5.233 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.557 4.581 -14.024 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.983 5.366 -15.482 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.562 7.433 -14.324 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.740 6.676 -12.754 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.826 7.657 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.171 6.082 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.029 7.851 -15.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.815 7.001 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.480 8.527 -15.194 1.00 0.00 H new ATOM 329 N ARG A 27 9.136 3.250 -11.942 1.00 0.00 N ATOM 330 CA ARG A 27 8.049 2.930 -11.024 1.00 0.00 C ATOM 331 C ARG A 27 7.027 4.062 -10.976 1.00 0.00 C ATOM 332 O ARG A 27 7.345 5.229 -11.208 1.00 0.00 O ATOM 333 CB ARG A 27 8.599 2.665 -9.622 1.00 0.00 C ATOM 334 CG ARG A 27 9.583 1.508 -9.562 1.00 0.00 C ATOM 335 CD ARG A 27 9.946 1.159 -8.127 1.00 0.00 C ATOM 336 NE ARG A 27 8.859 0.465 -7.441 1.00 0.00 N ATOM 337 CZ ARG A 27 9.037 -0.308 -6.375 1.00 0.00 C ATOM 338 NH1 ARG A 27 10.253 -0.484 -5.876 1.00 0.00 N ATOM 339 NH2 ARG A 27 7.998 -0.905 -5.807 1.00 0.00 N ATOM 0 H ARG A 27 9.917 3.747 -11.514 1.00 0.00 H new ATOM 0 HA ARG A 27 7.552 2.031 -11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.090 3.567 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.768 2.459 -8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.150 0.635 -10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.486 1.768 -10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.837 0.532 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.194 2.071 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 27 7.911 0.580 -7.800 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.054 -0.026 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.387 -1.078 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.062 -0.771 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.135 -1.498 -4.989 1.00 0.00 H new ATOM 353 N PRO A 28 5.769 3.712 -10.668 1.00 0.00 N ATOM 354 CA PRO A 28 4.675 4.683 -10.582 1.00 0.00 C ATOM 355 C PRO A 28 4.816 5.609 -9.379 1.00 0.00 C ATOM 356 O PRO A 28 4.903 5.152 -8.239 1.00 0.00 O ATOM 357 CB PRO A 28 3.431 3.804 -10.438 1.00 0.00 C ATOM 358 CG PRO A 28 3.930 2.536 -9.837 1.00 0.00 C ATOM 359 CD PRO A 28 5.319 2.340 -10.380 1.00 0.00 C ATOM 0 HA PRO A 28 4.648 5.344 -11.448 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.684 4.277 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.959 3.625 -11.404 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.941 2.598 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.285 1.698 -10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.968 1.848 -9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.316 1.721 -11.277 1.00 0.00 H new ATOM 367 N ILE A 29 4.836 6.912 -9.640 1.00 0.00 N ATOM 368 CA ILE A 29 4.965 7.902 -8.578 1.00 0.00 C ATOM 369 C ILE A 29 3.728 7.913 -7.685 1.00 0.00 C ATOM 370 O ILE A 29 2.604 7.770 -8.163 1.00 0.00 O ATOM 371 CB ILE A 29 5.185 9.315 -9.148 1.00 0.00 C ATOM 372 CG1 ILE A 29 6.523 9.387 -9.888 1.00 0.00 C ATOM 373 CG2 ILE A 29 5.133 10.350 -8.035 1.00 0.00 C ATOM 374 CD1 ILE A 29 6.418 9.057 -11.360 1.00 0.00 C ATOM 0 H ILE A 29 4.764 7.306 -10.578 1.00 0.00 H new ATOM 0 HA ILE A 29 5.836 7.619 -7.987 1.00 0.00 H new ATOM 0 HB ILE A 29 4.386 9.533 -9.857 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.937 10.389 -9.777 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.226 8.699 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.290 11.344 -8.455 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.159 10.312 -7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.913 10.137 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.404 9.128 -11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.034 8.044 -11.479 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.740 9.761 -11.843 1.00 0.00 H new ATOM 386 N GLY A 30 3.945 8.087 -6.385 1.00 0.00 N ATOM 387 CA GLY A 30 2.839 8.117 -5.446 1.00 0.00 C ATOM 388 C GLY A 30 2.321 6.731 -5.117 1.00 0.00 C ATOM 389 O GLY A 30 2.589 6.200 -4.039 1.00 0.00 O ATOM 0 H GLY A 30 4.867 8.208 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.159 8.609 -4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.029 8.715 -5.863 1.00 0.00 H new ATOM 393 N SER A 31 1.576 6.143 -6.047 1.00 0.00 N ATOM 394 CA SER A 31 1.014 4.812 -5.848 1.00 0.00 C ATOM 395 C SER A 31 2.118 3.786 -5.610 1.00 0.00 C ATOM 396 O SER A 31 3.302 4.084 -5.771 1.00 0.00 O ATOM 397 CB SER A 31 0.175 4.403 -7.060 1.00 0.00 C ATOM 398 OG SER A 31 0.930 4.489 -8.256 1.00 0.00 O ATOM 0 H SER A 31 1.347 6.567 -6.946 1.00 0.00 H new ATOM 0 HA SER A 31 0.374 4.843 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.188 3.384 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.702 5.046 -7.133 1.00 0.00 H new ATOM 0 HG SER A 31 0.372 4.221 -9.015 1.00 0.00 H new ATOM 404 N TRP A 32 1.722 2.578 -5.227 1.00 0.00 N ATOM 405 CA TRP A 32 2.677 1.507 -4.967 1.00 0.00 C ATOM 406 C TRP A 32 2.235 0.209 -5.633 1.00 0.00 C ATOM 407 O TRP A 32 1.080 -0.197 -5.514 1.00 0.00 O ATOM 408 CB TRP A 32 2.836 1.293 -3.461 1.00 0.00 C ATOM 409 CG TRP A 32 1.532 1.113 -2.745 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.662 2.096 -2.368 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.952 -0.124 -2.319 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.425 1.544 -1.733 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.271 0.183 -1.691 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.345 -1.462 -2.409 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.101 -0.799 -1.156 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.521 -2.436 -1.877 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.691 -2.101 -1.258 1.00 0.00 C ATOM 0 H TRP A 32 0.746 2.315 -5.090 1.00 0.00 H new ATOM 0 HA TRP A 32 3.638 1.801 -5.389 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.460 0.416 -3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.362 2.147 -3.034 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.807 3.152 -2.543 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.217 2.063 -1.355 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.276 -1.730 -2.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.035 -0.542 -0.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.816 -3.473 -1.939 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.314 -2.885 -0.854 1.00 0.00 H new ATOM 428 N GLU A 33 3.162 -0.436 -6.335 1.00 0.00 N ATOM 429 CA GLU A 33 2.865 -1.688 -7.021 1.00 0.00 C ATOM 430 C GLU A 33 2.747 -2.839 -6.025 1.00 0.00 C ATOM 431 O GLU A 33 3.702 -3.164 -5.318 1.00 0.00 O ATOM 432 CB GLU A 33 3.951 -2.001 -8.052 1.00 0.00 C ATOM 433 CG GLU A 33 3.702 -3.282 -8.829 1.00 0.00 C ATOM 434 CD GLU A 33 4.950 -3.797 -9.520 1.00 0.00 C ATOM 435 OE1 GLU A 33 5.988 -3.943 -8.841 1.00 0.00 O ATOM 436 OE2 GLU A 33 4.888 -4.054 -10.741 1.00 0.00 O ATOM 0 H GLU A 33 4.123 -0.113 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 33 1.910 -1.574 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.025 -1.170 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.912 -2.076 -7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.325 -4.047 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.925 -3.106 -9.573 1.00 0.00 H new ATOM 443 N CYS A 34 1.570 -3.453 -5.975 1.00 0.00 N ATOM 444 CA CYS A 34 1.325 -4.566 -5.067 1.00 0.00 C ATOM 445 C CYS A 34 2.267 -5.729 -5.366 1.00 0.00 C ATOM 446 O CYS A 34 2.837 -5.816 -6.453 1.00 0.00 O ATOM 447 CB CYS A 34 -0.128 -5.032 -5.178 1.00 0.00 C ATOM 448 SG CYS A 34 -0.577 -6.355 -4.008 1.00 0.00 S ATOM 0 H CYS A 34 0.770 -3.198 -6.554 1.00 0.00 H new ATOM 0 HA CYS A 34 1.512 -4.221 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.786 -4.178 -5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.309 -5.383 -6.194 1.00 0.00 H new ATOM 453 N SER A 35 2.426 -6.620 -4.392 1.00 0.00 N ATOM 454 CA SER A 35 3.302 -7.775 -4.548 1.00 0.00 C ATOM 455 C SER A 35 2.488 -9.051 -4.741 1.00 0.00 C ATOM 456 O SER A 35 2.923 -9.982 -5.419 1.00 0.00 O ATOM 457 CB SER A 35 4.215 -7.918 -3.329 1.00 0.00 C ATOM 458 OG SER A 35 5.028 -9.074 -3.434 1.00 0.00 O ATOM 0 H SER A 35 1.959 -6.564 -3.487 1.00 0.00 H new ATOM 0 HA SER A 35 3.915 -7.618 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.845 -7.033 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.611 -7.975 -2.423 1.00 0.00 H new ATOM 0 HG SER A 35 5.603 -9.142 -2.644 1.00 0.00 H new ATOM 464 N VAL A 36 1.303 -9.087 -4.140 1.00 0.00 N ATOM 465 CA VAL A 36 0.427 -10.247 -4.245 1.00 0.00 C ATOM 466 C VAL A 36 -0.220 -10.324 -5.623 1.00 0.00 C ATOM 467 O VAL A 36 -0.034 -11.296 -6.356 1.00 0.00 O ATOM 468 CB VAL A 36 -0.678 -10.215 -3.172 1.00 0.00 C ATOM 469 CG1 VAL A 36 -1.818 -11.148 -3.552 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.109 -10.582 -1.810 1.00 0.00 C ATOM 0 H VAL A 36 0.928 -8.325 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 36 1.049 -11.128 -4.089 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.074 -9.201 -3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.589 -11.112 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.242 -10.834 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.440 -12.167 -3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.904 -10.554 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.315 -11.585 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.670 -9.870 -1.537 1.00 0.00 H new ATOM 480 N CYS A 37 -0.982 -9.292 -5.972 1.00 0.00 N ATOM 481 CA CYS A 37 -1.658 -9.241 -7.262 1.00 0.00 C ATOM 482 C CYS A 37 -0.996 -8.220 -8.183 1.00 0.00 C ATOM 483 O CYS A 37 -1.141 -8.283 -9.404 1.00 0.00 O ATOM 484 CB CYS A 37 -3.135 -8.892 -7.075 1.00 0.00 C ATOM 485 SG CYS A 37 -3.428 -7.205 -6.453 1.00 0.00 S ATOM 0 H CYS A 37 -1.146 -8.479 -5.378 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.580 -10.226 -7.723 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.649 -9.010 -8.029 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.581 -9.606 -6.382 1.00 0.00 H new ATOM 490 N CYS A 38 -0.269 -7.280 -7.589 1.00 0.00 N ATOM 491 CA CYS A 38 0.416 -6.244 -8.355 1.00 0.00 C ATOM 492 C CYS A 38 -0.588 -5.327 -9.046 1.00 0.00 C ATOM 493 O CYS A 38 -0.403 -4.947 -10.203 1.00 0.00 O ATOM 494 CB CYS A 38 1.345 -6.877 -9.391 1.00 0.00 C ATOM 495 SG CYS A 38 2.550 -8.032 -8.695 1.00 0.00 S ATOM 0 H CYS A 38 -0.139 -7.214 -6.580 1.00 0.00 H new ATOM 0 HA CYS A 38 1.010 -5.647 -7.663 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.742 -7.401 -10.132 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.879 -6.085 -9.917 1.00 0.00 H new ATOM 0 HG CYS A 38 3.046 -7.535 -7.601 1.00 0.00 H new ATOM 501 N VAL A 39 -1.651 -4.975 -8.330 1.00 0.00 N ATOM 502 CA VAL A 39 -2.685 -4.103 -8.875 1.00 0.00 C ATOM 503 C VAL A 39 -2.574 -2.695 -8.301 1.00 0.00 C ATOM 504 O VAL A 39 -2.168 -2.511 -7.153 1.00 0.00 O ATOM 505 CB VAL A 39 -4.094 -4.654 -8.586 1.00 0.00 C ATOM 506 CG1 VAL A 39 -5.157 -3.706 -9.118 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.256 -6.042 -9.187 1.00 0.00 C ATOM 0 H VAL A 39 -1.819 -5.280 -7.371 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.532 -4.066 -9.954 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.220 -4.734 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.146 -4.112 -8.905 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.052 -2.734 -8.636 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.036 -3.592 -10.195 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.257 -6.416 -8.973 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.110 -5.991 -10.266 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.517 -6.715 -8.753 1.00 0.00 H new ATOM 517 N SER A 40 -2.938 -1.703 -9.107 1.00 0.00 N ATOM 518 CA SER A 40 -2.876 -0.309 -8.681 1.00 0.00 C ATOM 519 C SER A 40 -3.610 -0.113 -7.358 1.00 0.00 C ATOM 520 O SER A 40 -4.675 -0.686 -7.136 1.00 0.00 O ATOM 521 CB SER A 40 -3.480 0.601 -9.752 1.00 0.00 C ATOM 522 OG SER A 40 -4.874 0.380 -9.882 1.00 0.00 O ATOM 0 H SER A 40 -3.279 -1.838 -10.059 1.00 0.00 H new ATOM 0 HA SER A 40 -1.828 -0.044 -8.538 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.297 1.644 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.989 0.419 -10.708 1.00 0.00 H new ATOM 0 HG SER A 40 -5.237 0.975 -10.571 1.00 0.00 H new ATOM 528 N ASN A 41 -3.030 0.701 -6.482 1.00 0.00 N ATOM 529 CA ASN A 41 -3.628 0.974 -5.180 1.00 0.00 C ATOM 530 C ASN A 41 -3.483 2.447 -4.813 1.00 0.00 C ATOM 531 O ASN A 41 -2.791 3.202 -5.494 1.00 0.00 O ATOM 532 CB ASN A 41 -2.976 0.102 -4.104 1.00 0.00 C ATOM 533 CG ASN A 41 -2.603 -1.274 -4.622 1.00 0.00 C ATOM 534 OD1 ASN A 41 -1.448 -1.691 -4.533 1.00 0.00 O ATOM 535 ND2 ASN A 41 -3.583 -1.986 -5.167 1.00 0.00 N ATOM 0 H ASN A 41 -2.147 1.183 -6.650 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.690 0.735 -5.238 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.082 0.600 -3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.660 -0.003 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.393 -2.919 -5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.526 -1.600 -5.219 1.00 0.00 H new ATOM 542 N ASN A 42 -4.142 2.849 -3.730 1.00 0.00 N ATOM 543 CA ASN A 42 -4.087 4.232 -3.272 1.00 0.00 C ATOM 544 C ASN A 42 -2.916 4.443 -2.317 1.00 0.00 C ATOM 545 O ASN A 42 -2.843 3.816 -1.260 1.00 0.00 O ATOM 546 CB ASN A 42 -5.398 4.615 -2.582 1.00 0.00 C ATOM 547 CG ASN A 42 -6.610 4.346 -3.453 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.716 3.292 -4.080 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.531 5.302 -3.496 1.00 0.00 N ATOM 0 H ASN A 42 -4.720 2.237 -3.154 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.942 4.871 -4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.492 4.056 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.371 5.672 -2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.368 5.178 -4.065 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.401 6.160 -2.960 1.00 0.00 H new ATOM 556 N ALA A 43 -2.003 5.331 -2.696 1.00 0.00 N ATOM 557 CA ALA A 43 -0.837 5.626 -1.873 1.00 0.00 C ATOM 558 C ALA A 43 -1.208 5.681 -0.395 1.00 0.00 C ATOM 559 O ALA A 43 -0.497 5.143 0.453 1.00 0.00 O ATOM 560 CB ALA A 43 -0.202 6.939 -2.308 1.00 0.00 C ATOM 0 H ALA A 43 -2.048 5.859 -3.568 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.114 4.822 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.668 7.147 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.108 6.866 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.926 7.747 -2.201 1.00 0.00 H new ATOM 566 N GLU A 44 -2.325 6.335 -0.094 1.00 0.00 N ATOM 567 CA GLU A 44 -2.789 6.461 1.283 1.00 0.00 C ATOM 568 C GLU A 44 -3.242 5.110 1.830 1.00 0.00 C ATOM 569 O GLU A 44 -3.011 4.792 2.997 1.00 0.00 O ATOM 570 CB GLU A 44 -3.938 7.469 1.368 1.00 0.00 C ATOM 571 CG GLU A 44 -5.151 7.080 0.540 1.00 0.00 C ATOM 572 CD GLU A 44 -6.399 7.841 0.941 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.315 9.075 1.107 1.00 0.00 O ATOM 574 OE2 GLU A 44 -7.462 7.201 1.089 1.00 0.00 O ATOM 0 H GLU A 44 -2.925 6.786 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.956 6.819 1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.239 7.577 2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.580 8.444 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.941 7.263 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.332 6.010 0.647 1.00 0.00 H new ATOM 581 N ASP A 45 -3.887 4.321 0.980 1.00 0.00 N ATOM 582 CA ASP A 45 -4.372 3.004 1.376 1.00 0.00 C ATOM 583 C ASP A 45 -3.222 2.121 1.849 1.00 0.00 C ATOM 584 O ASP A 45 -2.330 1.779 1.074 1.00 0.00 O ATOM 585 CB ASP A 45 -5.101 2.333 0.211 1.00 0.00 C ATOM 586 CG ASP A 45 -6.531 2.817 0.066 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.075 3.364 1.049 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.105 2.650 -1.030 1.00 0.00 O ATOM 0 H ASP A 45 -4.087 4.570 0.011 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.070 3.135 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.559 2.529 -0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.099 1.253 0.359 1.00 0.00 H new ATOM 593 N ASN A 46 -3.249 1.756 3.127 1.00 0.00 N ATOM 594 CA ASN A 46 -2.207 0.914 3.704 1.00 0.00 C ATOM 595 C ASN A 46 -2.433 -0.552 3.346 1.00 0.00 C ATOM 596 O ASN A 46 -1.791 -1.444 3.901 1.00 0.00 O ATOM 597 CB ASN A 46 -2.172 1.080 5.224 1.00 0.00 C ATOM 598 CG ASN A 46 -0.879 0.571 5.831 1.00 0.00 C ATOM 599 OD1 ASN A 46 0.211 0.893 5.358 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.995 -0.229 6.885 1.00 0.00 N ATOM 0 H ASN A 46 -3.981 2.030 3.782 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.249 1.228 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.298 2.133 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.013 0.544 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.160 -0.603 7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.919 -0.469 7.243 1.00 0.00 H new ATOM 607 N LYS A 47 -3.349 -0.794 2.415 1.00 0.00 N ATOM 608 CA LYS A 47 -3.659 -2.151 1.980 1.00 0.00 C ATOM 609 C LYS A 47 -4.112 -2.166 0.524 1.00 0.00 C ATOM 610 O LYS A 47 -4.283 -1.115 -0.095 1.00 0.00 O ATOM 611 CB LYS A 47 -4.748 -2.757 2.869 1.00 0.00 C ATOM 612 CG LYS A 47 -4.225 -3.289 4.193 1.00 0.00 C ATOM 613 CD LYS A 47 -5.250 -4.176 4.880 1.00 0.00 C ATOM 614 CE LYS A 47 -6.404 -3.361 5.444 1.00 0.00 C ATOM 615 NZ LYS A 47 -7.355 -2.937 4.379 1.00 0.00 N ATOM 0 H LYS A 47 -3.890 -0.067 1.947 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.752 -2.749 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.508 -2.001 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.237 -3.568 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.309 -3.854 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.968 -2.455 4.846 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.633 -4.908 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.770 -4.733 5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.935 -3.951 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.012 -2.480 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.232 -1.922 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.167 -3.478 3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.330 -3.115 4.694 1.00 0.00 H new ATOM 629 N CYS A 48 -4.304 -3.363 -0.019 1.00 0.00 N ATOM 630 CA CYS A 48 -4.738 -3.515 -1.403 1.00 0.00 C ATOM 631 C CYS A 48 -6.260 -3.580 -1.492 1.00 0.00 C ATOM 632 O CYS A 48 -6.949 -3.677 -0.476 1.00 0.00 O ATOM 633 CB CYS A 48 -4.127 -4.777 -2.015 1.00 0.00 C ATOM 634 SG CYS A 48 -3.981 -4.728 -3.830 1.00 0.00 S ATOM 0 H CYS A 48 -4.166 -4.243 0.478 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.395 -2.645 -1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.137 -4.933 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.736 -5.636 -1.733 1.00 0.00 H new ATOM 639 N VAL A 49 -6.779 -3.525 -2.715 1.00 0.00 N ATOM 640 CA VAL A 49 -8.218 -3.578 -2.938 1.00 0.00 C ATOM 641 C VAL A 49 -8.608 -4.830 -3.716 1.00 0.00 C ATOM 642 O VAL A 49 -9.761 -5.261 -3.682 1.00 0.00 O ATOM 643 CB VAL A 49 -8.714 -2.336 -3.702 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.265 -1.063 -3.002 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.222 -2.366 -5.141 1.00 0.00 C ATOM 0 H VAL A 49 -6.223 -3.444 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.690 -3.603 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.804 -2.349 -3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.625 -0.196 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.671 -1.041 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.176 -1.038 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.581 -1.481 -5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.132 -2.377 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.600 -3.261 -5.636 1.00 0.00 H new ATOM 655 N SER A 50 -7.639 -5.410 -4.417 1.00 0.00 N ATOM 656 CA SER A 50 -7.881 -6.611 -5.207 1.00 0.00 C ATOM 657 C SER A 50 -7.603 -7.867 -4.386 1.00 0.00 C ATOM 658 O SER A 50 -8.320 -8.862 -4.489 1.00 0.00 O ATOM 659 CB SER A 50 -7.008 -6.606 -6.463 1.00 0.00 C ATOM 660 OG SER A 50 -7.448 -7.578 -7.395 1.00 0.00 O ATOM 0 H SER A 50 -6.679 -5.067 -4.454 1.00 0.00 H new ATOM 0 HA SER A 50 -8.930 -6.616 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.034 -5.618 -6.924 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.971 -6.803 -6.190 1.00 0.00 H new ATOM 0 HG SER A 50 -6.723 -7.782 -8.022 1.00 0.00 H new ATOM 666 N CYS A 51 -6.556 -7.812 -3.570 1.00 0.00 N ATOM 667 CA CYS A 51 -6.180 -8.944 -2.730 1.00 0.00 C ATOM 668 C CYS A 51 -6.268 -8.577 -1.252 1.00 0.00 C ATOM 669 O CYS A 51 -6.094 -9.427 -0.380 1.00 0.00 O ATOM 670 CB CYS A 51 -4.762 -9.408 -3.069 1.00 0.00 C ATOM 671 SG CYS A 51 -3.472 -8.168 -2.725 1.00 0.00 S ATOM 0 H CYS A 51 -5.952 -6.996 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.878 -9.758 -2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.542 -10.313 -2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.721 -9.676 -4.125 1.00 0.00 H new ATOM 676 N MET A 52 -6.539 -7.304 -0.979 1.00 0.00 N ATOM 677 CA MET A 52 -6.651 -6.825 0.394 1.00 0.00 C ATOM 678 C MET A 52 -5.424 -7.220 1.210 1.00 0.00 C ATOM 679 O MET A 52 -5.538 -7.596 2.376 1.00 0.00 O ATOM 680 CB MET A 52 -7.916 -7.383 1.050 1.00 0.00 C ATOM 681 CG MET A 52 -9.165 -6.570 0.750 1.00 0.00 C ATOM 682 SD MET A 52 -9.190 -5.931 -0.936 1.00 0.00 S ATOM 683 CE MET A 52 -10.728 -5.013 -0.927 1.00 0.00 C ATOM 0 H MET A 52 -6.685 -6.587 -1.690 1.00 0.00 H new ATOM 0 HA MET A 52 -6.713 -5.737 0.369 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.069 -8.408 0.711 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.769 -7.423 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.046 -7.191 0.912 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.229 -5.738 1.451 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.723 -4.286 -1.739 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.563 -5.701 -1.061 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.836 -4.493 0.025 1.00 0.00 H new ATOM 693 N SER A 53 -4.252 -7.133 0.589 1.00 0.00 N ATOM 694 CA SER A 53 -3.005 -7.485 1.256 1.00 0.00 C ATOM 695 C SER A 53 -2.501 -6.327 2.112 1.00 0.00 C ATOM 696 O SER A 53 -3.108 -5.257 2.146 1.00 0.00 O ATOM 697 CB SER A 53 -1.942 -7.873 0.226 1.00 0.00 C ATOM 698 OG SER A 53 -1.549 -6.753 -0.547 1.00 0.00 O ATOM 0 H SER A 53 -4.140 -6.821 -0.376 1.00 0.00 H new ATOM 0 HA SER A 53 -3.198 -8.338 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.073 -8.291 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.333 -8.652 -0.429 1.00 0.00 H new ATOM 0 HG SER A 53 -1.976 -6.798 -1.428 1.00 0.00 H new ATOM 704 N GLU A 54 -1.386 -6.550 2.802 1.00 0.00 N ATOM 705 CA GLU A 54 -0.801 -5.526 3.659 1.00 0.00 C ATOM 706 C GLU A 54 0.305 -4.772 2.927 1.00 0.00 C ATOM 707 O GLU A 54 0.994 -5.330 2.073 1.00 0.00 O ATOM 708 CB GLU A 54 -0.244 -6.156 4.937 1.00 0.00 C ATOM 709 CG GLU A 54 1.019 -5.483 5.447 1.00 0.00 C ATOM 710 CD GLU A 54 1.253 -5.724 6.925 1.00 0.00 C ATOM 711 OE1 GLU A 54 1.061 -6.872 7.377 1.00 0.00 O ATOM 712 OE2 GLU A 54 1.628 -4.764 7.631 1.00 0.00 O ATOM 0 H GLU A 54 -0.871 -7.430 2.784 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.586 -4.818 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.007 -6.115 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.035 -7.209 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.876 -5.852 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.954 -4.411 5.264 1.00 0.00 H new ATOM 719 N LYS A 55 0.470 -3.498 3.267 1.00 0.00 N ATOM 720 CA LYS A 55 1.491 -2.665 2.644 1.00 0.00 C ATOM 721 C LYS A 55 2.816 -2.779 3.392 1.00 0.00 C ATOM 722 O LYS A 55 2.872 -2.705 4.619 1.00 0.00 O ATOM 723 CB LYS A 55 1.037 -1.204 2.611 1.00 0.00 C ATOM 724 CG LYS A 55 2.102 -0.247 2.104 1.00 0.00 C ATOM 725 CD LYS A 55 1.592 1.184 2.063 1.00 0.00 C ATOM 726 CE LYS A 55 2.610 2.120 1.429 1.00 0.00 C ATOM 727 NZ LYS A 55 2.440 3.523 1.898 1.00 0.00 N ATOM 0 H LYS A 55 -0.091 -3.020 3.972 1.00 0.00 H new ATOM 0 HA LYS A 55 1.638 -3.017 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.154 -1.121 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.738 -0.903 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.979 -0.303 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.419 -0.550 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.660 1.223 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.367 1.521 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.617 1.777 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.510 2.085 0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.152 4.130 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.488 3.860 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.561 3.561 2.930 1.00 0.00 H new ATOM 741 N PRO A 56 3.909 -2.962 2.636 1.00 0.00 N ATOM 742 CA PRO A 56 5.254 -3.088 3.206 1.00 0.00 C ATOM 743 C PRO A 56 5.760 -1.775 3.793 1.00 0.00 C ATOM 744 O PRO A 56 5.062 -0.762 3.766 1.00 0.00 O ATOM 745 CB PRO A 56 6.110 -3.502 2.007 1.00 0.00 C ATOM 746 CG PRO A 56 5.377 -2.980 0.819 1.00 0.00 C ATOM 747 CD PRO A 56 3.917 -3.059 1.166 1.00 0.00 C ATOM 0 HA PRO A 56 5.281 -3.798 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.112 -3.078 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.224 -4.585 1.957 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.671 -1.954 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.600 -3.572 -0.068 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.351 -2.249 0.707 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.472 -3.993 0.823 1.00 0.00 H new ATOM 755 N GLY A 57 6.979 -1.800 4.324 1.00 0.00 N ATOM 756 CA GLY A 57 7.557 -0.605 4.911 1.00 0.00 C ATOM 757 C GLY A 57 8.960 -0.333 4.407 1.00 0.00 C ATOM 758 O GLY A 57 9.830 -1.189 4.564 1.00 0.00 O ATOM 0 H GLY A 57 7.576 -2.626 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.921 0.251 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.578 -0.710 5.996 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.877 -6.712 -4.329 1.00 0.00 ZN