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+ 147:sc= 0.0031 (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 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 16 THR OG1 : rot -19:sc= 0.664 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -77:sc= -0.108 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -2.43 F(o=-3.9,f=-2.4) USER MOD Single : A 42 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.5!) USER MOD Single : A 46 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -130:sc= -0.0238 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -99:sc= 0.73 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.040 -33.349 -23.380 1.00 0.00 N ATOM 2 CA GLY A 1 18.951 -34.135 -22.831 1.00 0.00 C ATOM 3 C GLY A 1 19.327 -34.818 -21.531 1.00 0.00 C ATOM 4 O GLY A 1 20.427 -35.355 -21.400 1.00 0.00 O ATOM 0 H1 GLY A 1 19.994 -33.371 -24.419 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.959 -32.366 -23.050 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.948 -33.746 -23.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.090 -33.489 -22.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.647 -34.888 -23.559 1.00 0.00 H new ATOM 8 N SER A 2 18.412 -34.797 -20.567 1.00 0.00 N ATOM 9 CA SER A 2 18.656 -35.414 -19.268 1.00 0.00 C ATOM 10 C SER A 2 17.448 -36.230 -18.819 1.00 0.00 C ATOM 11 O SER A 2 16.305 -35.792 -18.952 1.00 0.00 O ATOM 12 CB SER A 2 18.980 -34.344 -18.224 1.00 0.00 C ATOM 13 OG SER A 2 20.025 -33.497 -18.669 1.00 0.00 O ATOM 0 H SER A 2 17.495 -34.360 -20.661 1.00 0.00 H new ATOM 0 HA SER A 2 19.509 -36.085 -19.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.089 -33.750 -18.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.268 -34.821 -17.287 1.00 0.00 H new ATOM 0 HG SER A 2 20.212 -32.821 -17.985 1.00 0.00 H new ATOM 19 N SER A 3 17.709 -37.420 -18.287 1.00 0.00 N ATOM 20 CA SER A 3 16.644 -38.300 -17.821 1.00 0.00 C ATOM 21 C SER A 3 16.704 -38.472 -16.307 1.00 0.00 C ATOM 22 O SER A 3 17.709 -38.151 -15.674 1.00 0.00 O ATOM 23 CB SER A 3 16.746 -39.664 -18.505 1.00 0.00 C ATOM 24 OG SER A 3 15.496 -40.332 -18.499 1.00 0.00 O ATOM 0 H SER A 3 18.649 -37.797 -18.168 1.00 0.00 H new ATOM 0 HA SER A 3 15.689 -37.842 -18.079 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.088 -39.535 -19.532 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.491 -40.275 -17.995 1.00 0.00 H new ATOM 0 HG SER A 3 15.587 -41.201 -18.943 1.00 0.00 H new ATOM 30 N GLY A 4 15.619 -38.981 -15.731 1.00 0.00 N ATOM 31 CA GLY A 4 15.568 -39.187 -14.296 1.00 0.00 C ATOM 32 C GLY A 4 14.308 -38.619 -13.673 1.00 0.00 C ATOM 33 O GLY A 4 14.352 -38.036 -12.590 1.00 0.00 O ATOM 0 H GLY A 4 14.774 -39.254 -16.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.626 -40.254 -14.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.439 -38.722 -13.834 1.00 0.00 H new ATOM 37 N SER A 5 13.183 -38.787 -14.359 1.00 0.00 N ATOM 38 CA SER A 5 11.906 -38.282 -13.869 1.00 0.00 C ATOM 39 C SER A 5 10.743 -38.928 -14.616 1.00 0.00 C ATOM 40 O SER A 5 10.945 -39.705 -15.550 1.00 0.00 O ATOM 41 CB SER A 5 11.843 -36.761 -14.023 1.00 0.00 C ATOM 42 OG SER A 5 11.686 -36.392 -15.382 1.00 0.00 O ATOM 0 H SER A 5 13.129 -39.269 -15.256 1.00 0.00 H new ATOM 0 HA SER A 5 11.823 -38.538 -12.813 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.012 -36.367 -13.438 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.754 -36.314 -13.624 1.00 0.00 H new ATOM 0 HG SER A 5 11.647 -35.415 -15.453 1.00 0.00 H new ATOM 48 N SER A 6 9.524 -38.602 -14.197 1.00 0.00 N ATOM 49 CA SER A 6 8.328 -39.153 -14.823 1.00 0.00 C ATOM 50 C SER A 6 7.779 -38.200 -15.879 1.00 0.00 C ATOM 51 O SER A 6 7.277 -37.123 -15.559 1.00 0.00 O ATOM 52 CB SER A 6 7.257 -39.433 -13.766 1.00 0.00 C ATOM 53 OG SER A 6 6.405 -40.490 -14.172 1.00 0.00 O ATOM 0 H SER A 6 9.339 -37.959 -13.427 1.00 0.00 H new ATOM 0 HA SER A 6 8.601 -40.089 -15.311 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.733 -39.689 -12.820 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.668 -38.532 -13.593 1.00 0.00 H new ATOM 0 HG SER A 6 5.731 -40.651 -13.479 1.00 0.00 H new ATOM 59 N GLY A 7 7.879 -38.604 -17.142 1.00 0.00 N ATOM 60 CA GLY A 7 7.389 -37.775 -18.228 1.00 0.00 C ATOM 61 C GLY A 7 8.217 -36.519 -18.417 1.00 0.00 C ATOM 62 O GLY A 7 8.560 -35.842 -17.449 1.00 0.00 O ATOM 0 H GLY A 7 8.291 -39.491 -17.432 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.394 -38.352 -19.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.353 -37.498 -18.031 1.00 0.00 H new ATOM 66 N SER A 8 8.541 -36.209 -19.669 1.00 0.00 N ATOM 67 CA SER A 8 9.338 -35.029 -19.982 1.00 0.00 C ATOM 68 C SER A 8 8.621 -33.756 -19.542 1.00 0.00 C ATOM 69 O SER A 8 7.567 -33.409 -20.073 1.00 0.00 O ATOM 70 CB SER A 8 9.632 -34.970 -21.482 1.00 0.00 C ATOM 71 OG SER A 8 10.561 -33.941 -21.779 1.00 0.00 O ATOM 0 H SER A 8 8.264 -36.759 -20.482 1.00 0.00 H new ATOM 0 HA SER A 8 10.279 -35.101 -19.437 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.027 -35.929 -21.816 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.706 -34.798 -22.031 1.00 0.00 H new ATOM 0 HG SER A 8 10.734 -33.925 -22.744 1.00 0.00 H new ATOM 77 N SER A 9 9.202 -33.064 -18.567 1.00 0.00 N ATOM 78 CA SER A 9 8.618 -31.832 -18.051 1.00 0.00 C ATOM 79 C SER A 9 9.629 -30.690 -18.100 1.00 0.00 C ATOM 80 O SER A 9 10.524 -30.602 -17.260 1.00 0.00 O ATOM 81 CB SER A 9 8.130 -32.035 -16.615 1.00 0.00 C ATOM 82 OG SER A 9 6.856 -32.654 -16.593 1.00 0.00 O ATOM 0 H SER A 9 10.077 -33.336 -18.119 1.00 0.00 H new ATOM 0 HA SER A 9 7.768 -31.570 -18.682 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.846 -32.649 -16.068 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.079 -31.073 -16.105 1.00 0.00 H new ATOM 0 HG SER A 9 6.567 -32.774 -15.664 1.00 0.00 H new ATOM 88 N SER A 10 9.478 -29.816 -19.090 1.00 0.00 N ATOM 89 CA SER A 10 10.379 -28.681 -19.253 1.00 0.00 C ATOM 90 C SER A 10 10.070 -27.592 -18.229 1.00 0.00 C ATOM 91 O SER A 10 8.908 -27.282 -17.968 1.00 0.00 O ATOM 92 CB SER A 10 10.267 -28.112 -20.668 1.00 0.00 C ATOM 93 OG SER A 10 9.080 -27.355 -20.822 1.00 0.00 O ATOM 0 H SER A 10 8.740 -29.872 -19.792 1.00 0.00 H new ATOM 0 HA SER A 10 11.398 -29.031 -19.090 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.132 -27.484 -20.880 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.279 -28.926 -21.392 1.00 0.00 H new ATOM 0 HG SER A 10 9.034 -27.001 -21.735 1.00 0.00 H new ATOM 99 N SER A 11 11.120 -27.016 -17.653 1.00 0.00 N ATOM 100 CA SER A 11 10.963 -25.964 -16.655 1.00 0.00 C ATOM 101 C SER A 11 11.560 -24.651 -17.152 1.00 0.00 C ATOM 102 O SER A 11 12.369 -24.636 -18.080 1.00 0.00 O ATOM 103 CB SER A 11 11.629 -26.375 -15.341 1.00 0.00 C ATOM 104 OG SER A 11 13.040 -26.276 -15.431 1.00 0.00 O ATOM 0 H SER A 11 12.089 -27.260 -17.860 1.00 0.00 H new ATOM 0 HA SER A 11 9.897 -25.816 -16.483 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.268 -25.740 -14.532 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.348 -27.398 -15.092 1.00 0.00 H new ATOM 0 HG SER A 11 13.442 -26.543 -14.578 1.00 0.00 H new ATOM 110 N CYS A 12 11.156 -23.551 -16.527 1.00 0.00 N ATOM 111 CA CYS A 12 11.649 -22.231 -16.904 1.00 0.00 C ATOM 112 C CYS A 12 12.621 -21.694 -15.859 1.00 0.00 C ATOM 113 O CYS A 12 13.618 -21.052 -16.193 1.00 0.00 O ATOM 114 CB CYS A 12 10.482 -21.258 -17.080 1.00 0.00 C ATOM 115 SG CYS A 12 9.343 -21.705 -18.412 1.00 0.00 S ATOM 0 H CYS A 12 10.488 -23.547 -15.756 1.00 0.00 H new ATOM 0 HA CYS A 12 12.179 -22.326 -17.852 1.00 0.00 H new ATOM 0 HB2 CYS A 12 9.926 -21.201 -16.144 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.880 -20.262 -17.275 1.00 0.00 H new ATOM 0 HG CYS A 12 8.389 -20.824 -18.481 1.00 0.00 H new ATOM 121 N THR A 13 12.325 -21.961 -14.591 1.00 0.00 N ATOM 122 CA THR A 13 13.171 -21.502 -13.496 1.00 0.00 C ATOM 123 C THR A 13 14.574 -22.087 -13.603 1.00 0.00 C ATOM 124 O THR A 13 14.759 -23.195 -14.108 1.00 0.00 O ATOM 125 CB THR A 13 12.572 -21.881 -12.128 1.00 0.00 C ATOM 126 OG1 THR A 13 11.205 -21.460 -12.058 1.00 0.00 O ATOM 127 CG2 THR A 13 13.363 -21.242 -10.996 1.00 0.00 C ATOM 0 H THR A 13 11.506 -22.493 -14.297 1.00 0.00 H new ATOM 0 HA THR A 13 13.227 -20.416 -13.573 1.00 0.00 H new ATOM 0 HB THR A 13 12.624 -22.964 -12.021 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.831 -21.706 -11.186 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.922 -21.523 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.396 -21.587 -11.034 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.338 -20.157 -11.102 1.00 0.00 H new ATOM 135 N VAL A 14 15.561 -21.337 -13.124 1.00 0.00 N ATOM 136 CA VAL A 14 16.949 -21.782 -13.165 1.00 0.00 C ATOM 137 C VAL A 14 17.259 -22.721 -12.005 1.00 0.00 C ATOM 138 O VAL A 14 17.180 -22.334 -10.839 1.00 0.00 O ATOM 139 CB VAL A 14 17.923 -20.590 -13.120 1.00 0.00 C ATOM 140 CG1 VAL A 14 19.364 -21.077 -13.114 1.00 0.00 C ATOM 141 CG2 VAL A 14 17.672 -19.653 -14.293 1.00 0.00 C ATOM 0 H VAL A 14 15.425 -20.418 -12.703 1.00 0.00 H new ATOM 0 HA VAL A 14 17.082 -22.315 -14.106 1.00 0.00 H new ATOM 0 HB VAL A 14 17.749 -20.035 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 14 20.037 -20.220 -13.082 1.00 0.00 H new ATOM 0 HG12 VAL A 14 19.533 -21.704 -12.238 1.00 0.00 H new ATOM 0 HG13 VAL A 14 19.556 -21.656 -14.017 1.00 0.00 H new ATOM 0 HG21 VAL A 14 18.369 -18.816 -14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 14 17.817 -20.194 -15.228 1.00 0.00 H new ATOM 0 HG23 VAL A 14 16.650 -19.277 -14.246 1.00 0.00 H new ATOM 151 N THR A 15 17.613 -23.960 -12.332 1.00 0.00 N ATOM 152 CA THR A 15 17.935 -24.956 -11.318 1.00 0.00 C ATOM 153 C THR A 15 19.242 -24.619 -10.611 1.00 0.00 C ATOM 154 O THR A 15 20.143 -24.021 -11.200 1.00 0.00 O ATOM 155 CB THR A 15 18.044 -26.366 -11.929 1.00 0.00 C ATOM 156 OG1 THR A 15 18.181 -27.341 -10.890 1.00 0.00 O ATOM 157 CG2 THR A 15 19.232 -26.455 -12.875 1.00 0.00 C ATOM 0 H THR A 15 17.684 -24.298 -13.292 1.00 0.00 H new ATOM 0 HA THR A 15 17.120 -24.944 -10.594 1.00 0.00 H new ATOM 0 HB THR A 15 17.134 -26.564 -12.495 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.248 -28.235 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.289 -27.460 -13.294 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.110 -25.732 -13.681 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.150 -26.238 -12.328 1.00 0.00 H new ATOM 165 N THR A 16 19.342 -25.006 -9.343 1.00 0.00 N ATOM 166 CA THR A 16 20.539 -24.744 -8.555 1.00 0.00 C ATOM 167 C THR A 16 20.924 -23.270 -8.613 1.00 0.00 C ATOM 168 O THR A 16 22.103 -22.929 -8.701 1.00 0.00 O ATOM 169 CB THR A 16 21.729 -25.593 -9.042 1.00 0.00 C ATOM 170 OG1 THR A 16 22.233 -25.067 -10.275 1.00 0.00 O ATOM 171 CG2 THR A 16 21.315 -27.044 -9.234 1.00 0.00 C ATOM 0 H THR A 16 18.607 -25.503 -8.840 1.00 0.00 H new ATOM 0 HA THR A 16 20.305 -25.015 -7.526 1.00 0.00 H new ATOM 0 HB THR A 16 22.511 -25.553 -8.284 1.00 0.00 H new ATOM 0 HG1 THR A 16 21.552 -24.498 -10.691 1.00 0.00 H new ATOM 0 HG21 THR A 16 22.171 -27.624 -9.578 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.959 -27.449 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.518 -27.100 -9.975 1.00 0.00 H new ATOM 179 N GLY A 17 19.921 -22.399 -8.563 1.00 0.00 N ATOM 180 CA GLY A 17 20.175 -20.971 -8.610 1.00 0.00 C ATOM 181 C GLY A 17 18.913 -20.164 -8.846 1.00 0.00 C ATOM 182 O GLY A 17 18.380 -20.142 -9.956 1.00 0.00 O ATOM 0 H GLY A 17 18.937 -22.657 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.634 -20.656 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 17 20.892 -20.759 -9.403 1.00 0.00 H new ATOM 186 N THR A 18 18.433 -19.500 -7.800 1.00 0.00 N ATOM 187 CA THR A 18 17.224 -18.691 -7.897 1.00 0.00 C ATOM 188 C THR A 18 17.555 -17.204 -7.866 1.00 0.00 C ATOM 189 O THR A 18 18.433 -16.768 -7.121 1.00 0.00 O ATOM 190 CB THR A 18 16.240 -19.011 -6.756 1.00 0.00 C ATOM 191 OG1 THR A 18 16.922 -18.974 -5.497 1.00 0.00 O ATOM 192 CG2 THR A 18 15.607 -20.380 -6.956 1.00 0.00 C ATOM 0 H THR A 18 18.863 -19.506 -6.875 1.00 0.00 H new ATOM 0 HA THR A 18 16.755 -18.936 -8.850 1.00 0.00 H new ATOM 0 HB THR A 18 15.451 -18.259 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 18 16.290 -19.177 -4.776 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.916 -20.584 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.065 -20.396 -7.902 1.00 0.00 H new ATOM 0 HG23 THR A 18 16.386 -21.142 -6.972 1.00 0.00 H new ATOM 200 N LEU A 19 16.845 -16.428 -8.678 1.00 0.00 N ATOM 201 CA LEU A 19 17.063 -14.986 -8.743 1.00 0.00 C ATOM 202 C LEU A 19 15.782 -14.227 -8.412 1.00 0.00 C ATOM 203 O LEU A 19 14.729 -14.827 -8.201 1.00 0.00 O ATOM 204 CB LEU A 19 17.561 -14.588 -10.133 1.00 0.00 C ATOM 205 CG LEU A 19 16.692 -15.033 -11.310 1.00 0.00 C ATOM 206 CD1 LEU A 19 15.547 -14.056 -11.528 1.00 0.00 C ATOM 207 CD2 LEU A 19 17.532 -15.164 -12.573 1.00 0.00 C ATOM 0 H LEU A 19 16.114 -16.772 -9.300 1.00 0.00 H new ATOM 0 HA LEU A 19 17.820 -14.724 -8.004 1.00 0.00 H new ATOM 0 HB2 LEU A 19 17.655 -13.503 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.561 -14.999 -10.270 1.00 0.00 H new ATOM 0 HG LEU A 19 16.269 -16.010 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 14.940 -14.389 -12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.930 -14.012 -10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.949 -13.066 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.898 -15.481 -13.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.984 -14.201 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.317 -15.903 -12.413 1.00 0.00 H new ATOM 219 N GLY A 20 15.880 -12.902 -8.369 1.00 0.00 N ATOM 220 CA GLY A 20 14.722 -12.082 -8.065 1.00 0.00 C ATOM 221 C GLY A 20 14.610 -10.876 -8.977 1.00 0.00 C ATOM 222 O GLY A 20 15.619 -10.322 -9.413 1.00 0.00 O ATOM 0 H GLY A 20 16.741 -12.382 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.819 -12.686 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.780 -11.747 -7.030 1.00 0.00 H new ATOM 226 N PHE A 21 13.379 -10.470 -9.269 1.00 0.00 N ATOM 227 CA PHE A 21 13.138 -9.324 -10.138 1.00 0.00 C ATOM 228 C PHE A 21 13.741 -9.553 -11.520 1.00 0.00 C ATOM 229 O PHE A 21 14.345 -8.653 -12.103 1.00 0.00 O ATOM 230 CB PHE A 21 13.724 -8.054 -9.517 1.00 0.00 C ATOM 231 CG PHE A 21 13.067 -6.793 -10.000 1.00 0.00 C ATOM 232 CD1 PHE A 21 11.711 -6.583 -9.804 1.00 0.00 C ATOM 233 CD2 PHE A 21 13.805 -5.816 -10.649 1.00 0.00 C ATOM 234 CE1 PHE A 21 11.104 -5.424 -10.248 1.00 0.00 C ATOM 235 CE2 PHE A 21 13.203 -4.654 -11.095 1.00 0.00 C ATOM 236 CZ PHE A 21 11.851 -4.457 -10.893 1.00 0.00 C ATOM 0 H PHE A 21 12.533 -10.917 -8.917 1.00 0.00 H new ATOM 0 HA PHE A 21 12.060 -9.203 -10.247 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.628 -8.112 -8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.790 -8.008 -9.741 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.122 -7.334 -9.298 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.863 -5.964 -10.808 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.046 -5.274 -10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.789 -3.901 -11.601 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.379 -3.549 -11.238 1.00 0.00 H new ATOM 246 N GLY A 22 13.574 -10.766 -12.039 1.00 0.00 N ATOM 247 CA GLY A 22 14.108 -11.093 -13.348 1.00 0.00 C ATOM 248 C GLY A 22 13.887 -9.984 -14.358 1.00 0.00 C ATOM 249 O GLY A 22 14.760 -9.699 -15.178 1.00 0.00 O ATOM 0 H GLY A 22 13.078 -11.528 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 22 15.176 -11.294 -13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.640 -12.008 -13.710 1.00 0.00 H new ATOM 253 N ASP A 23 12.717 -9.359 -14.301 1.00 0.00 N ATOM 254 CA ASP A 23 12.383 -8.275 -15.218 1.00 0.00 C ATOM 255 C ASP A 23 11.975 -7.021 -14.452 1.00 0.00 C ATOM 256 O ASP A 23 11.817 -7.049 -13.231 1.00 0.00 O ATOM 257 CB ASP A 23 11.254 -8.703 -16.157 1.00 0.00 C ATOM 258 CG ASP A 23 10.234 -9.589 -15.470 1.00 0.00 C ATOM 259 OD1 ASP A 23 9.866 -9.286 -14.315 1.00 0.00 O ATOM 260 OD2 ASP A 23 9.801 -10.585 -16.087 1.00 0.00 O ATOM 0 H ASP A 23 11.983 -9.584 -13.629 1.00 0.00 H new ATOM 0 HA ASP A 23 13.270 -8.046 -15.809 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.755 -7.816 -16.549 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.676 -9.234 -17.010 1.00 0.00 H new ATOM 265 N LYS A 24 11.808 -5.919 -15.176 1.00 0.00 N ATOM 266 CA LYS A 24 11.419 -4.654 -14.566 1.00 0.00 C ATOM 267 C LYS A 24 9.900 -4.528 -14.496 1.00 0.00 C ATOM 268 O LYS A 24 9.177 -5.201 -15.230 1.00 0.00 O ATOM 269 CB LYS A 24 12.002 -3.481 -15.359 1.00 0.00 C ATOM 270 CG LYS A 24 13.377 -3.048 -14.880 1.00 0.00 C ATOM 271 CD LYS A 24 14.460 -4.000 -15.359 1.00 0.00 C ATOM 272 CE LYS A 24 15.850 -3.435 -15.107 1.00 0.00 C ATOM 273 NZ LYS A 24 16.273 -3.615 -13.691 1.00 0.00 N ATOM 0 H LYS A 24 11.936 -5.877 -16.187 1.00 0.00 H new ATOM 0 HA LYS A 24 11.815 -4.632 -13.551 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.064 -3.759 -16.411 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.320 -2.634 -15.293 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.589 -2.042 -15.242 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.386 -3.003 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.357 -4.957 -14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.332 -4.192 -16.424 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.567 -3.926 -15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.862 -2.374 -15.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.225 -3.217 -13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.604 -3.125 -13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.286 -4.629 -13.459 1.00 0.00 H new ATOM 287 N PHE A 25 9.423 -3.660 -13.610 1.00 0.00 N ATOM 288 CA PHE A 25 7.991 -3.446 -13.444 1.00 0.00 C ATOM 289 C PHE A 25 7.671 -1.957 -13.344 1.00 0.00 C ATOM 290 O PHE A 25 8.072 -1.286 -12.393 1.00 0.00 O ATOM 291 CB PHE A 25 7.485 -4.172 -12.196 1.00 0.00 C ATOM 292 CG PHE A 25 7.244 -5.638 -12.412 1.00 0.00 C ATOM 293 CD1 PHE A 25 8.285 -6.547 -12.310 1.00 0.00 C ATOM 294 CD2 PHE A 25 5.977 -6.108 -12.716 1.00 0.00 C ATOM 295 CE1 PHE A 25 8.066 -7.897 -12.509 1.00 0.00 C ATOM 296 CE2 PHE A 25 5.751 -7.457 -12.916 1.00 0.00 C ATOM 297 CZ PHE A 25 6.797 -8.353 -12.811 1.00 0.00 C ATOM 0 H PHE A 25 10.008 -3.093 -12.996 1.00 0.00 H new ATOM 0 HA PHE A 25 7.486 -3.851 -14.321 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.211 -4.046 -11.393 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.558 -3.705 -11.864 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.279 -6.197 -12.072 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.155 -5.412 -12.798 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.886 -8.595 -12.429 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.758 -7.810 -13.154 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.623 -9.408 -12.965 1.00 0.00 H new ATOM 307 N LYS A 26 6.948 -1.445 -14.334 1.00 0.00 N ATOM 308 CA LYS A 26 6.573 -0.037 -14.360 1.00 0.00 C ATOM 309 C LYS A 26 5.612 0.292 -13.222 1.00 0.00 C ATOM 310 O LYS A 26 4.481 -0.194 -13.192 1.00 0.00 O ATOM 311 CB LYS A 26 5.929 0.317 -15.703 1.00 0.00 C ATOM 312 CG LYS A 26 6.922 0.405 -16.849 1.00 0.00 C ATOM 313 CD LYS A 26 6.237 0.240 -18.195 1.00 0.00 C ATOM 314 CE LYS A 26 5.635 1.550 -18.679 1.00 0.00 C ATOM 315 NZ LYS A 26 5.419 1.550 -20.152 1.00 0.00 N ATOM 0 H LYS A 26 6.610 -1.986 -15.130 1.00 0.00 H new ATOM 0 HA LYS A 26 7.479 0.556 -14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.175 -0.432 -15.944 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.411 1.271 -15.608 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.433 1.367 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.684 -0.365 -16.731 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.957 -0.124 -18.928 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.454 -0.514 -18.116 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.685 1.722 -18.173 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.295 2.375 -18.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.008 2.460 -20.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.329 1.411 -20.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.769 0.779 -20.408 1.00 0.00 H new ATOM 329 N ARG A 27 6.069 1.119 -12.288 1.00 0.00 N ATOM 330 CA ARG A 27 5.249 1.512 -11.148 1.00 0.00 C ATOM 331 C ARG A 27 5.336 3.017 -10.909 1.00 0.00 C ATOM 332 O ARG A 27 6.382 3.640 -11.092 1.00 0.00 O ATOM 333 CB ARG A 27 5.691 0.760 -9.892 1.00 0.00 C ATOM 334 CG ARG A 27 7.022 1.235 -9.333 1.00 0.00 C ATOM 335 CD ARG A 27 8.191 0.530 -10.002 1.00 0.00 C ATOM 336 NE ARG A 27 8.241 -0.890 -9.663 1.00 0.00 N ATOM 337 CZ ARG A 27 9.346 -1.624 -9.732 1.00 0.00 C ATOM 338 NH1 ARG A 27 10.486 -1.075 -10.126 1.00 0.00 N ATOM 339 NH2 ARG A 27 9.311 -2.910 -9.407 1.00 0.00 N ATOM 0 H ARG A 27 7.002 1.530 -12.298 1.00 0.00 H new ATOM 0 HA ARG A 27 4.213 1.256 -11.372 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.925 0.870 -9.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.762 -0.303 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.115 2.312 -9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.052 1.053 -8.259 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.111 0.642 -11.083 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.123 1.008 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 27 7.380 -1.343 -9.356 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.516 -0.087 -10.377 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.333 -1.641 -10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.435 -3.336 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.160 -3.473 -9.460 1.00 0.00 H new ATOM 353 N PRO A 28 4.210 3.616 -10.492 1.00 0.00 N ATOM 354 CA PRO A 28 4.133 5.054 -10.219 1.00 0.00 C ATOM 355 C PRO A 28 4.922 5.452 -8.977 1.00 0.00 C ATOM 356 O PRO A 28 5.279 4.603 -8.159 1.00 0.00 O ATOM 357 CB PRO A 28 2.637 5.294 -10.003 1.00 0.00 C ATOM 358 CG PRO A 28 2.104 3.979 -9.551 1.00 0.00 C ATOM 359 CD PRO A 28 2.927 2.935 -10.253 1.00 0.00 C ATOM 0 HA PRO A 28 4.561 5.646 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.464 6.069 -9.256 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.152 5.623 -10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.184 3.877 -8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.048 3.878 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 28 3.054 2.043 -9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.461 2.616 -11.186 1.00 0.00 H new ATOM 367 N ILE A 29 5.191 6.746 -8.841 1.00 0.00 N ATOM 368 CA ILE A 29 5.936 7.255 -7.696 1.00 0.00 C ATOM 369 C ILE A 29 5.071 7.271 -6.440 1.00 0.00 C ATOM 370 O ILE A 29 5.384 6.612 -5.450 1.00 0.00 O ATOM 371 CB ILE A 29 6.468 8.676 -7.958 1.00 0.00 C ATOM 372 CG1 ILE A 29 7.399 8.680 -9.172 1.00 0.00 C ATOM 373 CG2 ILE A 29 7.190 9.206 -6.728 1.00 0.00 C ATOM 374 CD1 ILE A 29 7.654 10.062 -9.734 1.00 0.00 C ATOM 0 H ILE A 29 4.904 7.461 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 29 6.780 6.582 -7.544 1.00 0.00 H new ATOM 0 HB ILE A 29 5.623 9.331 -8.170 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.351 8.230 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.968 8.053 -9.952 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.560 10.211 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.499 9.235 -5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.028 8.552 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.322 9.988 -10.592 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.710 10.508 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.114 10.687 -8.969 1.00 0.00 H new ATOM 386 N GLY A 30 3.980 8.029 -6.489 1.00 0.00 N ATOM 387 CA GLY A 30 3.085 8.116 -5.350 1.00 0.00 C ATOM 388 C GLY A 30 2.517 6.767 -4.955 1.00 0.00 C ATOM 389 O GLY A 30 2.881 6.213 -3.918 1.00 0.00 O ATOM 0 H GLY A 30 3.700 8.584 -7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.621 8.543 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.267 8.796 -5.586 1.00 0.00 H new ATOM 393 N SER A 31 1.621 6.239 -5.782 1.00 0.00 N ATOM 394 CA SER A 31 0.997 4.950 -5.511 1.00 0.00 C ATOM 395 C SER A 31 2.048 3.849 -5.408 1.00 0.00 C ATOM 396 O SER A 31 3.241 4.096 -5.584 1.00 0.00 O ATOM 397 CB SER A 31 -0.012 4.606 -6.609 1.00 0.00 C ATOM 398 OG SER A 31 -0.940 5.660 -6.797 1.00 0.00 O ATOM 0 H SER A 31 1.311 6.684 -6.646 1.00 0.00 H new ATOM 0 HA SER A 31 0.475 5.021 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.515 4.410 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.544 3.692 -6.345 1.00 0.00 H new ATOM 0 HG SER A 31 -1.573 5.416 -7.505 1.00 0.00 H new ATOM 404 N TRP A 32 1.595 2.633 -5.121 1.00 0.00 N ATOM 405 CA TRP A 32 2.496 1.493 -4.994 1.00 0.00 C ATOM 406 C TRP A 32 1.928 0.269 -5.703 1.00 0.00 C ATOM 407 O TRP A 32 0.745 -0.042 -5.572 1.00 0.00 O ATOM 408 CB TRP A 32 2.742 1.174 -3.518 1.00 0.00 C ATOM 409 CG TRP A 32 1.484 1.107 -2.707 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.712 2.159 -2.303 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.853 -0.074 -2.199 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.361 1.704 -1.575 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.297 0.337 -1.498 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.147 -1.438 -2.270 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.151 -0.568 -0.872 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.299 -2.335 -1.649 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.839 -1.898 -0.958 1.00 0.00 C ATOM 0 H TRP A 32 0.611 2.412 -4.972 1.00 0.00 H new ATOM 0 HA TRP A 32 3.443 1.756 -5.465 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.266 0.221 -3.442 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.399 1.934 -3.094 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.915 3.197 -2.523 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.087 2.288 -1.160 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.021 -1.785 -2.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.028 -0.232 -0.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.517 -3.392 -1.697 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.482 -2.625 -0.484 1.00 0.00 H new ATOM 428 N GLU A 33 2.779 -0.422 -6.455 1.00 0.00 N ATOM 429 CA GLU A 33 2.360 -1.612 -7.186 1.00 0.00 C ATOM 430 C GLU A 33 2.483 -2.857 -6.313 1.00 0.00 C ATOM 431 O GLU A 33 3.581 -3.241 -5.909 1.00 0.00 O ATOM 432 CB GLU A 33 3.199 -1.780 -8.455 1.00 0.00 C ATOM 433 CG GLU A 33 2.839 -3.016 -9.263 1.00 0.00 C ATOM 434 CD GLU A 33 3.642 -4.235 -8.852 1.00 0.00 C ATOM 435 OE1 GLU A 33 4.687 -4.061 -8.190 1.00 0.00 O ATOM 436 OE2 GLU A 33 3.226 -5.362 -9.191 1.00 0.00 O ATOM 0 H GLU A 33 3.762 -0.178 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 33 1.314 -1.487 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.075 -0.897 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.253 -1.830 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.777 -3.228 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.006 -2.815 -10.321 1.00 0.00 H new ATOM 443 N CYS A 34 1.347 -3.485 -6.026 1.00 0.00 N ATOM 444 CA CYS A 34 1.325 -4.687 -5.201 1.00 0.00 C ATOM 445 C CYS A 34 2.306 -5.729 -5.730 1.00 0.00 C ATOM 446 O CYS A 34 2.849 -5.585 -6.826 1.00 0.00 O ATOM 447 CB CYS A 34 -0.087 -5.275 -5.158 1.00 0.00 C ATOM 448 SG CYS A 34 -0.422 -6.296 -3.687 1.00 0.00 S ATOM 0 H CYS A 34 0.430 -3.181 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 34 1.627 -4.410 -4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.810 -4.460 -5.194 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.245 -5.880 -6.051 1.00 0.00 H new ATOM 453 N SER A 35 2.529 -6.777 -4.944 1.00 0.00 N ATOM 454 CA SER A 35 3.447 -7.842 -5.332 1.00 0.00 C ATOM 455 C SER A 35 2.713 -9.173 -5.458 1.00 0.00 C ATOM 456 O SER A 35 3.008 -9.977 -6.342 1.00 0.00 O ATOM 457 CB SER A 35 4.579 -7.965 -4.310 1.00 0.00 C ATOM 458 OG SER A 35 5.569 -8.877 -4.753 1.00 0.00 O ATOM 0 H SER A 35 2.087 -6.912 -4.035 1.00 0.00 H new ATOM 0 HA SER A 35 3.870 -7.588 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.030 -6.987 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.175 -8.298 -3.354 1.00 0.00 H new ATOM 0 HG SER A 35 6.282 -8.937 -4.083 1.00 0.00 H new ATOM 464 N VAL A 36 1.754 -9.399 -4.566 1.00 0.00 N ATOM 465 CA VAL A 36 0.975 -10.632 -4.576 1.00 0.00 C ATOM 466 C VAL A 36 0.020 -10.669 -5.763 1.00 0.00 C ATOM 467 O VAL A 36 -0.142 -11.703 -6.412 1.00 0.00 O ATOM 468 CB VAL A 36 0.167 -10.797 -3.275 1.00 0.00 C ATOM 469 CG1 VAL A 36 1.095 -11.053 -2.098 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.697 -9.570 -3.027 1.00 0.00 C ATOM 0 H VAL A 36 1.498 -8.744 -3.827 1.00 0.00 H new ATOM 0 HA VAL A 36 1.686 -11.454 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.490 -11.660 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.506 -11.167 -1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.666 -11.964 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.779 -10.212 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.261 -9.703 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.061 -8.689 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.388 -9.438 -3.859 1.00 0.00 H new ATOM 480 N CYS A 37 -0.611 -9.534 -6.043 1.00 0.00 N ATOM 481 CA CYS A 37 -1.552 -9.434 -7.153 1.00 0.00 C ATOM 482 C CYS A 37 -1.051 -8.447 -8.203 1.00 0.00 C ATOM 483 O CYS A 37 -1.464 -8.495 -9.363 1.00 0.00 O ATOM 484 CB CYS A 37 -2.928 -9.001 -6.645 1.00 0.00 C ATOM 485 SG CYS A 37 -3.019 -7.252 -6.143 1.00 0.00 S ATOM 0 H CYS A 37 -0.488 -8.669 -5.516 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.636 -10.418 -7.615 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.666 -9.182 -7.427 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.203 -9.626 -5.796 1.00 0.00 H new ATOM 490 N CYS A 38 -0.159 -7.554 -7.790 1.00 0.00 N ATOM 491 CA CYS A 38 0.398 -6.554 -8.694 1.00 0.00 C ATOM 492 C CYS A 38 -0.696 -5.636 -9.231 1.00 0.00 C ATOM 493 O CYS A 38 -0.741 -5.339 -10.425 1.00 0.00 O ATOM 494 CB CYS A 38 1.124 -7.235 -9.855 1.00 0.00 C ATOM 495 SG CYS A 38 2.456 -8.346 -9.343 1.00 0.00 S ATOM 0 H CYS A 38 0.194 -7.502 -6.835 1.00 0.00 H new ATOM 0 HA CYS A 38 1.111 -5.950 -8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.399 -7.800 -10.441 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.537 -6.469 -10.511 1.00 0.00 H new ATOM 0 HG CYS A 38 3.499 -7.647 -9.006 1.00 0.00 H new ATOM 501 N VAL A 39 -1.577 -5.191 -8.341 1.00 0.00 N ATOM 502 CA VAL A 39 -2.671 -4.308 -8.725 1.00 0.00 C ATOM 503 C VAL A 39 -2.452 -2.897 -8.191 1.00 0.00 C ATOM 504 O VAL A 39 -1.884 -2.711 -7.114 1.00 0.00 O ATOM 505 CB VAL A 39 -4.025 -4.835 -8.211 1.00 0.00 C ATOM 506 CG1 VAL A 39 -5.144 -3.868 -8.565 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.306 -6.219 -8.776 1.00 0.00 C ATOM 0 H VAL A 39 -1.554 -5.428 -7.349 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.689 -4.282 -9.815 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.976 -4.914 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.092 -4.257 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.946 -2.899 -8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.197 -3.754 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.266 -6.576 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.336 -6.169 -9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.518 -6.905 -8.466 1.00 0.00 H new ATOM 517 N SER A 40 -2.906 -1.905 -8.950 1.00 0.00 N ATOM 518 CA SER A 40 -2.757 -0.510 -8.555 1.00 0.00 C ATOM 519 C SER A 40 -3.396 -0.259 -7.192 1.00 0.00 C ATOM 520 O SER A 40 -4.455 -0.803 -6.882 1.00 0.00 O ATOM 521 CB SER A 40 -3.387 0.410 -9.603 1.00 0.00 C ATOM 522 OG SER A 40 -2.598 0.459 -10.779 1.00 0.00 O ATOM 0 H SER A 40 -3.380 -2.042 -9.843 1.00 0.00 H new ATOM 0 HA SER A 40 -1.692 -0.291 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.388 0.056 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.496 1.414 -9.192 1.00 0.00 H new ATOM 0 HG SER A 40 -3.023 1.052 -11.433 1.00 0.00 H new ATOM 528 N ASN A 41 -2.743 0.568 -6.382 1.00 0.00 N ATOM 529 CA ASN A 41 -3.246 0.891 -5.052 1.00 0.00 C ATOM 530 C ASN A 41 -3.098 2.381 -4.762 1.00 0.00 C ATOM 531 O ASN A 41 -2.533 3.127 -5.561 1.00 0.00 O ATOM 532 CB ASN A 41 -2.502 0.077 -3.991 1.00 0.00 C ATOM 533 CG ASN A 41 -2.155 -1.319 -4.472 1.00 0.00 C ATOM 534 OD1 ASN A 41 -3.163 -2.059 -4.918 1.00 0.00 O flip ATOM 535 ND2 ASN A 41 -0.993 -1.727 -4.443 1.00 0.00 N flip ATOM 0 H ASN A 41 -1.864 1.027 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.305 0.636 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.587 0.600 -3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.117 0.007 -3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.249 -1.124 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.775 -2.668 -4.770 1.00 0.00 H new ATOM 542 N ASN A 42 -3.609 2.808 -3.611 1.00 0.00 N ATOM 543 CA ASN A 42 -3.534 4.209 -3.215 1.00 0.00 C ATOM 544 C ASN A 42 -2.472 4.414 -2.139 1.00 0.00 C ATOM 545 O ASN A 42 -2.509 3.777 -1.087 1.00 0.00 O ATOM 546 CB ASN A 42 -4.894 4.690 -2.703 1.00 0.00 C ATOM 547 CG ASN A 42 -5.874 4.958 -3.829 1.00 0.00 C ATOM 548 OD1 ASN A 42 -5.475 5.257 -4.955 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.163 4.852 -3.529 1.00 0.00 N ATOM 0 H ASN A 42 -4.079 2.204 -2.937 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.256 4.794 -4.092 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.312 3.940 -2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.758 5.600 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.869 5.021 -4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.447 4.602 -2.582 1.00 0.00 H new ATOM 556 N ALA A 43 -1.527 5.308 -2.410 1.00 0.00 N ATOM 557 CA ALA A 43 -0.457 5.599 -1.465 1.00 0.00 C ATOM 558 C ALA A 43 -0.987 5.659 -0.036 1.00 0.00 C ATOM 559 O ALA A 43 -0.455 5.005 0.860 1.00 0.00 O ATOM 560 CB ALA A 43 0.229 6.907 -1.831 1.00 0.00 C ATOM 0 H ALA A 43 -1.481 5.843 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 43 0.272 4.791 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.026 7.112 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.651 6.829 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.498 7.719 -1.806 1.00 0.00 H new ATOM 566 N GLU A 44 -2.038 6.448 0.168 1.00 0.00 N ATOM 567 CA GLU A 44 -2.638 6.593 1.489 1.00 0.00 C ATOM 568 C GLU A 44 -3.144 5.250 2.007 1.00 0.00 C ATOM 569 O GLU A 44 -2.995 4.932 3.187 1.00 0.00 O ATOM 570 CB GLU A 44 -3.788 7.600 1.442 1.00 0.00 C ATOM 571 CG GLU A 44 -4.947 7.161 0.563 1.00 0.00 C ATOM 572 CD GLU A 44 -6.160 8.060 0.703 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.011 9.288 0.534 1.00 0.00 O ATOM 574 OE2 GLU A 44 -7.258 7.535 0.983 1.00 0.00 O ATOM 0 H GLU A 44 -2.491 6.996 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.871 6.960 2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.154 7.768 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.409 8.555 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.625 7.152 -0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.226 6.139 0.820 1.00 0.00 H new ATOM 581 N ASP A 45 -3.742 4.466 1.117 1.00 0.00 N ATOM 582 CA ASP A 45 -4.270 3.157 1.483 1.00 0.00 C ATOM 583 C ASP A 45 -3.158 2.246 1.994 1.00 0.00 C ATOM 584 O ASP A 45 -2.240 1.896 1.254 1.00 0.00 O ATOM 585 CB ASP A 45 -4.965 2.510 0.284 1.00 0.00 C ATOM 586 CG ASP A 45 -6.385 3.010 0.099 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.663 4.163 0.490 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.218 2.248 -0.435 1.00 0.00 O ATOM 0 H ASP A 45 -3.873 4.714 0.136 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.997 3.297 2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.390 2.714 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.978 1.428 0.415 1.00 0.00 H new ATOM 593 N ASN A 46 -3.247 1.868 3.265 1.00 0.00 N ATOM 594 CA ASN A 46 -2.247 0.999 3.876 1.00 0.00 C ATOM 595 C ASN A 46 -2.539 -0.466 3.568 1.00 0.00 C ATOM 596 O ASN A 46 -2.018 -1.367 4.226 1.00 0.00 O ATOM 597 CB ASN A 46 -2.210 1.216 5.390 1.00 0.00 C ATOM 598 CG ASN A 46 -0.843 0.927 5.981 1.00 0.00 C ATOM 599 OD1 ASN A 46 -0.093 0.100 5.464 1.00 0.00 O ATOM 600 ND2 ASN A 46 -0.515 1.611 7.072 1.00 0.00 N ATOM 0 H ASN A 46 -4.001 2.149 3.892 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.274 1.253 3.455 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.490 2.245 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.952 0.574 5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.391 1.460 7.515 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.169 2.287 7.466 1.00 0.00 H new ATOM 607 N LYS A 47 -3.375 -0.699 2.562 1.00 0.00 N ATOM 608 CA LYS A 47 -3.736 -2.054 2.163 1.00 0.00 C ATOM 609 C LYS A 47 -4.171 -2.094 0.702 1.00 0.00 C ATOM 610 O LYS A 47 -4.398 -1.054 0.082 1.00 0.00 O ATOM 611 CB LYS A 47 -4.859 -2.588 3.055 1.00 0.00 C ATOM 612 CG LYS A 47 -4.360 -3.313 4.293 1.00 0.00 C ATOM 613 CD LYS A 47 -5.511 -3.822 5.143 1.00 0.00 C ATOM 614 CE LYS A 47 -5.139 -3.867 6.617 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.271 -5.035 6.935 1.00 0.00 N ATOM 0 H LYS A 47 -3.816 0.035 2.007 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.856 -2.686 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.494 -1.757 3.362 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.482 -3.267 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.728 -4.150 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.740 -2.640 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.379 -3.177 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.798 -4.819 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.623 -2.946 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.046 -3.914 7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.040 -5.030 7.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.773 -5.915 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.394 -4.977 6.380 1.00 0.00 H new ATOM 629 N CYS A 48 -4.287 -3.300 0.156 1.00 0.00 N ATOM 630 CA CYS A 48 -4.696 -3.476 -1.232 1.00 0.00 C ATOM 631 C CYS A 48 -6.215 -3.571 -1.344 1.00 0.00 C ATOM 632 O CYS A 48 -6.920 -3.636 -0.336 1.00 0.00 O ATOM 633 CB CYS A 48 -4.051 -4.733 -1.820 1.00 0.00 C ATOM 634 SG CYS A 48 -3.826 -4.677 -3.627 1.00 0.00 S ATOM 0 H CYS A 48 -4.103 -4.171 0.655 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.361 -2.606 -1.796 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.080 -4.885 -1.348 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.667 -5.596 -1.568 1.00 0.00 H new ATOM 639 N VAL A 49 -6.713 -3.578 -2.576 1.00 0.00 N ATOM 640 CA VAL A 49 -8.147 -3.666 -2.821 1.00 0.00 C ATOM 641 C VAL A 49 -8.499 -4.945 -3.572 1.00 0.00 C ATOM 642 O VAL A 49 -9.601 -5.475 -3.433 1.00 0.00 O ATOM 643 CB VAL A 49 -8.655 -2.455 -3.626 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.316 -1.157 -2.908 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.070 -2.466 -5.030 1.00 0.00 C ATOM 0 H VAL A 49 -6.144 -3.524 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.634 -3.675 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.740 -2.524 -3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.682 -0.312 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.787 -1.151 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.235 -1.077 -2.793 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.439 -1.604 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.983 -2.421 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.368 -3.381 -5.541 1.00 0.00 H new ATOM 655 N SER A 50 -7.555 -5.436 -4.369 1.00 0.00 N ATOM 656 CA SER A 50 -7.766 -6.651 -5.146 1.00 0.00 C ATOM 657 C SER A 50 -7.515 -7.891 -4.293 1.00 0.00 C ATOM 658 O SER A 50 -8.249 -8.876 -4.376 1.00 0.00 O ATOM 659 CB SER A 50 -6.848 -6.666 -6.370 1.00 0.00 C ATOM 660 OG SER A 50 -7.405 -7.444 -7.415 1.00 0.00 O ATOM 0 H SER A 50 -6.636 -5.010 -4.493 1.00 0.00 H new ATOM 0 HA SER A 50 -8.804 -6.664 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.685 -5.646 -6.719 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.873 -7.068 -6.093 1.00 0.00 H new ATOM 0 HG SER A 50 -6.734 -8.077 -7.745 1.00 0.00 H new ATOM 666 N CYS A 51 -6.471 -7.836 -3.473 1.00 0.00 N ATOM 667 CA CYS A 51 -6.120 -8.953 -2.604 1.00 0.00 C ATOM 668 C CYS A 51 -6.270 -8.568 -1.135 1.00 0.00 C ATOM 669 O CYS A 51 -6.332 -9.431 -0.260 1.00 0.00 O ATOM 670 CB CYS A 51 -4.685 -9.408 -2.879 1.00 0.00 C ATOM 671 SG CYS A 51 -3.416 -8.182 -2.428 1.00 0.00 S ATOM 0 H CYS A 51 -5.853 -7.029 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.803 -9.775 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.496 -10.330 -2.329 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.587 -9.643 -3.939 1.00 0.00 H new ATOM 676 N MET A 52 -6.329 -7.266 -0.873 1.00 0.00 N ATOM 677 CA MET A 52 -6.474 -6.767 0.489 1.00 0.00 C ATOM 678 C MET A 52 -5.272 -7.157 1.342 1.00 0.00 C ATOM 679 O MET A 52 -5.425 -7.635 2.466 1.00 0.00 O ATOM 680 CB MET A 52 -7.759 -7.308 1.119 1.00 0.00 C ATOM 681 CG MET A 52 -9.013 -6.967 0.331 1.00 0.00 C ATOM 682 SD MET A 52 -9.751 -5.403 0.842 1.00 0.00 S ATOM 683 CE MET A 52 -11.245 -5.395 -0.146 1.00 0.00 C ATOM 0 H MET A 52 -6.279 -6.538 -1.586 1.00 0.00 H new ATOM 0 HA MET A 52 -6.529 -5.679 0.447 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.681 -8.391 1.210 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.855 -6.909 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.769 -6.919 -0.730 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.744 -7.766 0.454 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.812 -4.487 0.059 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.982 -5.428 -1.203 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.851 -6.265 0.104 1.00 0.00 H new ATOM 693 N SER A 53 -4.076 -6.952 0.800 1.00 0.00 N ATOM 694 CA SER A 53 -2.847 -7.287 1.511 1.00 0.00 C ATOM 695 C SER A 53 -2.202 -6.036 2.101 1.00 0.00 C ATOM 696 O SER A 53 -2.193 -4.976 1.475 1.00 0.00 O ATOM 697 CB SER A 53 -1.863 -7.986 0.570 1.00 0.00 C ATOM 698 OG SER A 53 -1.268 -7.061 -0.324 1.00 0.00 O ATOM 0 H SER A 53 -3.931 -6.556 -0.129 1.00 0.00 H new ATOM 0 HA SER A 53 -3.102 -7.963 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.088 -8.483 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.382 -8.760 0.005 1.00 0.00 H new ATOM 0 HG SER A 53 -1.724 -7.103 -1.190 1.00 0.00 H new ATOM 704 N GLU A 54 -1.665 -6.169 3.309 1.00 0.00 N ATOM 705 CA GLU A 54 -1.019 -5.050 3.985 1.00 0.00 C ATOM 706 C GLU A 54 0.077 -4.446 3.111 1.00 0.00 C ATOM 707 O GLU A 54 0.895 -5.165 2.536 1.00 0.00 O ATOM 708 CB GLU A 54 -0.429 -5.504 5.321 1.00 0.00 C ATOM 709 CG GLU A 54 0.517 -6.686 5.199 1.00 0.00 C ATOM 710 CD GLU A 54 1.444 -6.818 6.392 1.00 0.00 C ATOM 711 OE1 GLU A 54 1.665 -5.804 7.086 1.00 0.00 O ATOM 712 OE2 GLU A 54 1.948 -7.935 6.632 1.00 0.00 O ATOM 0 H GLU A 54 -1.664 -7.040 3.840 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.774 -4.286 4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.104 -4.669 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.243 -5.769 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.064 -7.602 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.112 -6.578 4.292 1.00 0.00 H new ATOM 719 N LYS A 55 0.087 -3.121 3.015 1.00 0.00 N ATOM 720 CA LYS A 55 1.081 -2.419 2.213 1.00 0.00 C ATOM 721 C LYS A 55 2.479 -2.601 2.796 1.00 0.00 C ATOM 722 O LYS A 55 2.693 -2.489 4.004 1.00 0.00 O ATOM 723 CB LYS A 55 0.741 -0.929 2.133 1.00 0.00 C ATOM 724 CG LYS A 55 1.797 -0.102 1.420 1.00 0.00 C ATOM 725 CD LYS A 55 1.456 1.379 1.444 1.00 0.00 C ATOM 726 CE LYS A 55 2.457 2.195 0.640 1.00 0.00 C ATOM 727 NZ LYS A 55 3.753 2.346 1.357 1.00 0.00 N ATOM 0 H LYS A 55 -0.583 -2.511 3.483 1.00 0.00 H new ATOM 0 HA LYS A 55 1.067 -2.844 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.212 -0.809 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.608 -0.541 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.766 -0.261 1.894 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.888 -0.439 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.455 1.529 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.441 1.733 2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.629 1.713 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.039 3.180 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.408 2.908 0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.594 2.829 2.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.164 1.407 1.532 1.00 0.00 H new ATOM 741 N PRO A 56 3.453 -2.888 1.921 1.00 0.00 N ATOM 742 CA PRO A 56 4.847 -3.091 2.326 1.00 0.00 C ATOM 743 C PRO A 56 5.510 -1.798 2.789 1.00 0.00 C ATOM 744 O PRO A 56 5.372 -0.755 2.152 1.00 0.00 O ATOM 745 CB PRO A 56 5.517 -3.607 1.050 1.00 0.00 C ATOM 746 CG PRO A 56 4.677 -3.075 -0.060 1.00 0.00 C ATOM 747 CD PRO A 56 3.270 -3.037 0.467 1.00 0.00 C ATOM 0 HA PRO A 56 4.930 -3.773 3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.545 -3.254 0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.551 -4.696 1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.009 -2.081 -0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.746 -3.712 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.706 -2.205 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.725 -3.948 0.222 1.00 0.00 H new ATOM 755 N GLY A 57 6.231 -1.874 3.904 1.00 0.00 N ATOM 756 CA GLY A 57 6.904 -0.702 4.433 1.00 0.00 C ATOM 757 C GLY A 57 5.995 0.149 5.297 1.00 0.00 C ATOM 758 O GLY A 57 5.292 1.006 4.763 1.00 0.00 O ATOM 0 H GLY A 57 6.361 -2.726 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.767 -1.017 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.282 -0.100 3.607 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.716 -6.712 -3.980 1.00 0.00 ZN