USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 461 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 NoAdj-H: A 30 HIS HD1 : A 30 HIS ND1 : A 201 ZNZN :(H bumps) 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= -0.938 USER MOD Single : A 37 SER OG : rot -120:sc= -0.928 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 46 GLN : amide:sc= -4.45! C(o=-4.4!,f=-5.2!) USER MOD Single : A 47 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-0.84) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= -0.656 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -47:sc= 0.996 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.572 5.061 7.556 1.00 0.00 N ATOM 2 CA GLY A 1 -24.713 4.053 8.150 1.00 0.00 C ATOM 3 C GLY A 1 -23.487 4.651 8.809 1.00 0.00 C ATOM 4 O GLY A 1 -23.599 5.403 9.778 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.396 4.601 7.119 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.894 5.720 8.293 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.042 5.585 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.280 3.487 8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.400 3.347 7.380 1.00 0.00 H new ATOM 8 N SER A 2 -22.312 4.317 8.286 1.00 0.00 N ATOM 9 CA SER A 2 -21.059 4.822 8.834 1.00 0.00 C ATOM 10 C SER A 2 -20.595 6.062 8.076 1.00 0.00 C ATOM 11 O SER A 2 -20.961 6.269 6.919 1.00 0.00 O ATOM 12 CB SER A 2 -19.978 3.740 8.774 1.00 0.00 C ATOM 13 OG SER A 2 -20.153 2.788 9.808 1.00 0.00 O ATOM 0 H SER A 2 -22.202 3.698 7.483 1.00 0.00 H new ATOM 0 HA SER A 2 -21.231 5.096 9.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.012 3.241 7.806 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.993 4.200 8.861 1.00 0.00 H new ATOM 0 HG SER A 2 -19.451 2.106 9.747 1.00 0.00 H new ATOM 19 N SER A 3 -19.787 6.884 8.737 1.00 0.00 N ATOM 20 CA SER A 3 -19.275 8.107 8.128 1.00 0.00 C ATOM 21 C SER A 3 -18.293 7.785 7.006 1.00 0.00 C ATOM 22 O SER A 3 -18.523 8.126 5.847 1.00 0.00 O ATOM 23 CB SER A 3 -18.594 8.981 9.183 1.00 0.00 C ATOM 24 OG SER A 3 -19.537 9.798 9.855 1.00 0.00 O ATOM 0 H SER A 3 -19.472 6.726 9.694 1.00 0.00 H new ATOM 0 HA SER A 3 -20.118 8.653 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.077 8.349 9.905 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.839 9.607 8.708 1.00 0.00 H new ATOM 0 HG SER A 3 -19.077 10.345 10.525 1.00 0.00 H new ATOM 30 N GLY A 4 -17.195 7.125 7.361 1.00 0.00 N ATOM 31 CA GLY A 4 -16.192 6.768 6.374 1.00 0.00 C ATOM 32 C GLY A 4 -16.231 5.295 6.015 1.00 0.00 C ATOM 33 O GLY A 4 -16.857 4.496 6.712 1.00 0.00 O ATOM 0 H GLY A 4 -16.982 6.831 8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.345 7.363 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.203 7.019 6.758 1.00 0.00 H new ATOM 37 N SER A 5 -15.562 4.936 4.924 1.00 0.00 N ATOM 38 CA SER A 5 -15.527 3.550 4.471 1.00 0.00 C ATOM 39 C SER A 5 -14.127 3.168 3.999 1.00 0.00 C ATOM 40 O SER A 5 -13.257 4.025 3.844 1.00 0.00 O ATOM 41 CB SER A 5 -16.535 3.336 3.340 1.00 0.00 C ATOM 42 OG SER A 5 -17.850 3.195 3.848 1.00 0.00 O ATOM 0 H SER A 5 -15.037 5.585 4.338 1.00 0.00 H new ATOM 0 HA SER A 5 -15.795 2.911 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.497 4.179 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.264 2.447 2.771 1.00 0.00 H new ATOM 0 HG SER A 5 -18.475 3.061 3.105 1.00 0.00 H new ATOM 48 N SER A 6 -13.919 1.875 3.773 1.00 0.00 N ATOM 49 CA SER A 6 -12.624 1.377 3.323 1.00 0.00 C ATOM 50 C SER A 6 -12.529 1.409 1.800 1.00 0.00 C ATOM 51 O SER A 6 -13.077 0.547 1.115 1.00 0.00 O ATOM 52 CB SER A 6 -12.398 -0.049 3.829 1.00 0.00 C ATOM 53 OG SER A 6 -11.016 -0.324 3.978 1.00 0.00 O ATOM 0 H SER A 6 -14.630 1.154 3.894 1.00 0.00 H new ATOM 0 HA SER A 6 -11.851 2.027 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.904 -0.183 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.840 -0.760 3.131 1.00 0.00 H new ATOM 0 HG SER A 6 -10.898 -1.241 4.304 1.00 0.00 H new ATOM 59 N GLY A 7 -11.828 2.412 1.278 1.00 0.00 N ATOM 60 CA GLY A 7 -11.674 2.539 -0.159 1.00 0.00 C ATOM 61 C GLY A 7 -10.309 2.084 -0.638 1.00 0.00 C ATOM 62 O GLY A 7 -9.406 1.852 0.167 1.00 0.00 O ATOM 0 H GLY A 7 -11.365 3.138 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.445 1.951 -0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.829 3.579 -0.448 1.00 0.00 H new ATOM 66 N CYS A 8 -10.158 1.955 -1.952 1.00 0.00 N ATOM 67 CA CYS A 8 -8.895 1.523 -2.537 1.00 0.00 C ATOM 68 C CYS A 8 -8.063 2.723 -2.983 1.00 0.00 C ATOM 69 O CYS A 8 -8.414 3.414 -3.938 1.00 0.00 O ATOM 70 CB CYS A 8 -9.151 0.596 -3.727 1.00 0.00 C ATOM 71 SG CYS A 8 -7.640 0.068 -4.597 1.00 0.00 S ATOM 0 H CYS A 8 -10.895 2.144 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.337 0.979 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.684 -0.288 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.806 1.104 -4.435 1.00 0.00 H new ATOM 76 N GLY A 9 -6.959 2.963 -2.284 1.00 0.00 N ATOM 77 CA GLY A 9 -6.094 4.079 -2.622 1.00 0.00 C ATOM 78 C GLY A 9 -5.564 3.992 -4.039 1.00 0.00 C ATOM 79 O GLY A 9 -5.257 5.010 -4.658 1.00 0.00 O ATOM 0 H GLY A 9 -6.647 2.405 -1.489 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.645 5.012 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.256 4.110 -1.925 1.00 0.00 H new ATOM 83 N GLY A 10 -5.454 2.772 -4.555 1.00 0.00 N ATOM 84 CA GLY A 10 -4.954 2.578 -5.904 1.00 0.00 C ATOM 85 C GLY A 10 -5.926 3.070 -6.958 1.00 0.00 C ATOM 86 O GLY A 10 -5.673 4.071 -7.628 1.00 0.00 O ATOM 0 H GLY A 10 -5.702 1.914 -4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.005 3.103 -6.016 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.753 1.519 -6.065 1.00 0.00 H new ATOM 90 N CYS A 11 -7.042 2.364 -7.107 1.00 0.00 N ATOM 91 CA CYS A 11 -8.055 2.732 -8.088 1.00 0.00 C ATOM 92 C CYS A 11 -9.135 3.604 -7.454 1.00 0.00 C ATOM 93 O CYS A 11 -9.449 4.683 -7.955 1.00 0.00 O ATOM 94 CB CYS A 11 -8.688 1.477 -8.694 1.00 0.00 C ATOM 95 SG CYS A 11 -9.085 0.182 -7.475 1.00 0.00 S ATOM 0 H CYS A 11 -7.267 1.533 -6.560 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.569 3.304 -8.878 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.601 1.760 -9.218 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.008 1.064 -9.439 1.00 0.00 H new ATOM 100 N GLY A 12 -9.700 3.128 -6.349 1.00 0.00 N ATOM 101 CA GLY A 12 -10.738 3.876 -5.664 1.00 0.00 C ATOM 102 C GLY A 12 -11.881 2.994 -5.204 1.00 0.00 C ATOM 103 O GLY A 12 -12.463 3.224 -4.144 1.00 0.00 O ATOM 0 H GLY A 12 -9.457 2.237 -5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.306 4.385 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.124 4.648 -6.329 1.00 0.00 H new ATOM 107 N GLU A 13 -12.205 1.982 -6.003 1.00 0.00 N ATOM 108 CA GLU A 13 -13.288 1.065 -5.672 1.00 0.00 C ATOM 109 C GLU A 13 -13.112 0.499 -4.265 1.00 0.00 C ATOM 110 O GLU A 13 -11.996 0.198 -3.842 1.00 0.00 O ATOM 111 CB GLU A 13 -13.348 -0.077 -6.689 1.00 0.00 C ATOM 112 CG GLU A 13 -13.584 0.390 -8.115 1.00 0.00 C ATOM 113 CD GLU A 13 -14.338 -0.631 -8.946 1.00 0.00 C ATOM 114 OE1 GLU A 13 -13.871 -1.786 -9.034 1.00 0.00 O ATOM 115 OE2 GLU A 13 -15.394 -0.273 -9.508 1.00 0.00 O ATOM 0 H GLU A 13 -11.733 1.777 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.224 1.622 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.414 -0.637 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.145 -0.764 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.144 1.325 -8.099 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.625 0.601 -8.588 1.00 0.00 H new ATOM 122 N ASP A 14 -14.220 0.359 -3.547 1.00 0.00 N ATOM 123 CA ASP A 14 -14.189 -0.171 -2.189 1.00 0.00 C ATOM 124 C ASP A 14 -13.554 -1.557 -2.160 1.00 0.00 C ATOM 125 O ASP A 14 -13.841 -2.401 -3.010 1.00 0.00 O ATOM 126 CB ASP A 14 -15.604 -0.232 -1.610 1.00 0.00 C ATOM 127 CG ASP A 14 -16.199 1.144 -1.388 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.852 1.783 -0.372 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.011 1.583 -2.229 1.00 0.00 O ATOM 0 H ASP A 14 -15.151 0.605 -3.882 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.583 0.498 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.246 -0.797 -2.286 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.583 -0.772 -0.664 1.00 0.00 H new ATOM 134 N VAL A 15 -12.688 -1.786 -1.178 1.00 0.00 N ATOM 135 CA VAL A 15 -12.012 -3.071 -1.038 1.00 0.00 C ATOM 136 C VAL A 15 -12.843 -4.042 -0.208 1.00 0.00 C ATOM 137 O VAL A 15 -12.888 -3.946 1.019 1.00 0.00 O ATOM 138 CB VAL A 15 -10.627 -2.908 -0.384 1.00 0.00 C ATOM 139 CG1 VAL A 15 -9.947 -4.259 -0.229 1.00 0.00 C ATOM 140 CG2 VAL A 15 -9.762 -1.957 -1.199 1.00 0.00 C ATOM 0 H VAL A 15 -12.438 -1.098 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.886 -3.473 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.762 -2.480 0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.970 -4.123 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.560 -4.905 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.823 -4.718 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.787 -1.853 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.634 -2.354 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.245 -0.981 -1.253 1.00 0.00 H new ATOM 150 N VAL A 16 -13.500 -4.979 -0.884 1.00 0.00 N ATOM 151 CA VAL A 16 -14.329 -5.970 -0.209 1.00 0.00 C ATOM 152 C VAL A 16 -13.548 -7.253 0.053 1.00 0.00 C ATOM 153 O VAL A 16 -12.374 -7.360 -0.299 1.00 0.00 O ATOM 154 CB VAL A 16 -15.586 -6.306 -1.033 1.00 0.00 C ATOM 155 CG1 VAL A 16 -16.014 -5.108 -1.866 1.00 0.00 C ATOM 156 CG2 VAL A 16 -15.335 -7.518 -1.917 1.00 0.00 C ATOM 0 H VAL A 16 -13.474 -5.072 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.634 -5.533 0.742 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.396 -6.548 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.904 -5.364 -2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -16.237 -4.268 -1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.209 -4.832 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.234 -7.741 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.511 -7.307 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -15.080 -8.376 -1.295 1.00 0.00 H new ATOM 166 N GLY A 17 -14.209 -8.225 0.674 1.00 0.00 N ATOM 167 CA GLY A 17 -13.561 -9.489 0.972 1.00 0.00 C ATOM 168 C GLY A 17 -13.882 -9.990 2.366 1.00 0.00 C ATOM 169 O GLY A 17 -13.344 -11.005 2.808 1.00 0.00 O ATOM 0 H GLY A 17 -15.181 -8.160 0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -13.872 -10.235 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.482 -9.374 0.870 1.00 0.00 H new ATOM 173 N ASP A 18 -14.761 -9.277 3.062 1.00 0.00 N ATOM 174 CA ASP A 18 -15.153 -9.655 4.415 1.00 0.00 C ATOM 175 C ASP A 18 -13.927 -9.838 5.304 1.00 0.00 C ATOM 176 O ASP A 18 -13.898 -10.715 6.166 1.00 0.00 O ATOM 177 CB ASP A 18 -15.977 -10.943 4.389 1.00 0.00 C ATOM 178 CG ASP A 18 -17.465 -10.676 4.271 1.00 0.00 C ATOM 179 OD1 ASP A 18 -18.098 -10.377 5.305 1.00 0.00 O ATOM 180 OD2 ASP A 18 -17.995 -10.767 3.145 1.00 0.00 O ATOM 0 H ASP A 18 -15.216 -8.434 2.711 1.00 0.00 H new ATOM 0 HA ASP A 18 -15.763 -8.852 4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.654 -11.561 3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.784 -11.513 5.298 1.00 0.00 H new ATOM 185 N GLY A 19 -12.915 -9.003 5.088 1.00 0.00 N ATOM 186 CA GLY A 19 -11.700 -9.090 5.876 1.00 0.00 C ATOM 187 C GLY A 19 -10.462 -8.739 5.075 1.00 0.00 C ATOM 188 O GLY A 19 -9.436 -8.359 5.640 1.00 0.00 O ATOM 0 H GLY A 19 -12.915 -8.268 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.777 -8.419 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.599 -10.101 6.271 1.00 0.00 H new ATOM 192 N ALA A 20 -10.557 -8.866 3.756 1.00 0.00 N ATOM 193 CA ALA A 20 -9.436 -8.559 2.876 1.00 0.00 C ATOM 194 C ALA A 20 -9.088 -7.075 2.929 1.00 0.00 C ATOM 195 O ALA A 20 -9.784 -6.287 3.567 1.00 0.00 O ATOM 196 CB ALA A 20 -9.756 -8.977 1.448 1.00 0.00 C ATOM 0 H ALA A 20 -11.399 -9.179 3.273 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.569 -9.122 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.910 -8.742 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.949 -10.049 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.638 -8.440 1.101 1.00 0.00 H new ATOM 202 N GLY A 21 -8.004 -6.702 2.255 1.00 0.00 N ATOM 203 CA GLY A 21 -7.582 -5.314 2.239 1.00 0.00 C ATOM 204 C GLY A 21 -6.194 -5.123 2.818 1.00 0.00 C ATOM 205 O GLY A 21 -5.998 -5.229 4.029 1.00 0.00 O ATOM 0 H GLY A 21 -7.411 -7.336 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.599 -4.944 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.294 -4.714 2.806 1.00 0.00 H new ATOM 209 N VAL A 22 -5.226 -4.844 1.951 1.00 0.00 N ATOM 210 CA VAL A 22 -3.848 -4.639 2.382 1.00 0.00 C ATOM 211 C VAL A 22 -3.653 -3.238 2.950 1.00 0.00 C ATOM 212 O VAL A 22 -3.606 -2.257 2.209 1.00 0.00 O ATOM 213 CB VAL A 22 -2.859 -4.853 1.221 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.432 -4.596 1.681 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.000 -6.257 0.653 1.00 0.00 C ATOM 0 H VAL A 22 -5.371 -4.755 0.945 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.647 -5.375 3.161 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.094 -4.141 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.747 -4.752 0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.343 -3.569 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.181 -5.282 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.294 -6.391 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.792 -6.988 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.015 -6.400 0.284 1.00 0.00 H new ATOM 225 N VAL A 23 -3.539 -3.152 4.272 1.00 0.00 N ATOM 226 CA VAL A 23 -3.347 -1.871 4.941 1.00 0.00 C ATOM 227 C VAL A 23 -1.895 -1.416 4.850 1.00 0.00 C ATOM 228 O VAL A 23 -0.995 -2.066 5.382 1.00 0.00 O ATOM 229 CB VAL A 23 -3.758 -1.945 6.424 1.00 0.00 C ATOM 230 CG1 VAL A 23 -3.391 -0.657 7.145 1.00 0.00 C ATOM 231 CG2 VAL A 23 -5.247 -2.231 6.550 1.00 0.00 C ATOM 0 H VAL A 23 -3.576 -3.955 4.900 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.984 -1.149 4.431 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.213 -2.764 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.689 -0.728 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.314 -0.500 7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.907 0.182 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.520 -2.280 7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.813 -1.435 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.476 -3.183 6.071 1.00 0.00 H new ATOM 241 N ALA A 24 -1.674 -0.294 4.171 1.00 0.00 N ATOM 242 CA ALA A 24 -0.331 0.250 4.012 1.00 0.00 C ATOM 243 C ALA A 24 -0.355 1.774 3.999 1.00 0.00 C ATOM 244 O ALA A 24 -1.045 2.388 3.185 1.00 0.00 O ATOM 245 CB ALA A 24 0.306 -0.281 2.736 1.00 0.00 C ATOM 0 H ALA A 24 -2.408 0.255 3.723 1.00 0.00 H new ATOM 0 HA ALA A 24 0.268 -0.071 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.309 0.133 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.366 -1.368 2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.300 0.011 1.878 1.00 0.00 H new ATOM 251 N LEU A 25 0.403 2.381 4.907 1.00 0.00 N ATOM 252 CA LEU A 25 0.468 3.835 5.001 1.00 0.00 C ATOM 253 C LEU A 25 -0.895 4.420 5.355 1.00 0.00 C ATOM 254 O LEU A 25 -1.323 5.418 4.776 1.00 0.00 O ATOM 255 CB LEU A 25 0.964 4.429 3.681 1.00 0.00 C ATOM 256 CG LEU A 25 2.239 3.813 3.105 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.287 4.000 1.596 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.469 4.425 3.759 1.00 0.00 C ATOM 0 H LEU A 25 0.981 1.888 5.588 1.00 0.00 H new ATOM 0 HA LEU A 25 1.169 4.092 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.170 4.331 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.134 5.496 3.827 1.00 0.00 H new ATOM 0 HG LEU A 25 2.232 2.744 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.201 3.555 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.423 3.515 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.271 5.064 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.367 3.975 3.337 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.481 5.500 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.440 4.240 4.833 1.00 0.00 H new ATOM 270 N ASP A 26 -1.572 3.793 6.311 1.00 0.00 N ATOM 271 CA ASP A 26 -2.886 4.253 6.745 1.00 0.00 C ATOM 272 C ASP A 26 -3.869 4.270 5.578 1.00 0.00 C ATOM 273 O ASP A 26 -4.771 5.106 5.526 1.00 0.00 O ATOM 274 CB ASP A 26 -2.783 5.648 7.362 1.00 0.00 C ATOM 275 CG ASP A 26 -2.556 5.604 8.860 1.00 0.00 C ATOM 276 OD1 ASP A 26 -3.506 5.260 9.595 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.428 5.912 9.298 1.00 0.00 O ATOM 0 H ASP A 26 -1.232 2.965 6.800 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.257 3.558 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.965 6.191 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.697 6.203 7.152 1.00 0.00 H new ATOM 282 N ARG A 27 -3.687 3.342 4.644 1.00 0.00 N ATOM 283 CA ARG A 27 -4.556 3.252 3.477 1.00 0.00 C ATOM 284 C ARG A 27 -4.855 1.796 3.133 1.00 0.00 C ATOM 285 O ARG A 27 -4.255 0.879 3.693 1.00 0.00 O ATOM 286 CB ARG A 27 -3.909 3.948 2.278 1.00 0.00 C ATOM 287 CG ARG A 27 -4.211 5.436 2.201 1.00 0.00 C ATOM 288 CD ARG A 27 -5.482 5.706 1.412 1.00 0.00 C ATOM 289 NE ARG A 27 -5.634 7.121 1.086 1.00 0.00 N ATOM 290 CZ ARG A 27 -5.083 7.694 0.022 1.00 0.00 C ATOM 291 NH1 ARG A 27 -4.348 6.975 -0.815 1.00 0.00 N ATOM 292 NH2 ARG A 27 -5.267 8.988 -0.207 1.00 0.00 N ATOM 0 H ARG A 27 -2.946 2.642 4.673 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.495 3.751 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.829 3.807 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.252 3.468 1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.314 5.840 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.374 5.955 1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.468 5.122 0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.344 5.372 1.989 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.194 7.702 1.710 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.205 5.980 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.926 7.417 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.832 9.544 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.843 9.427 -1.025 1.00 0.00 H new ATOM 306 N VAL A 28 -5.787 1.591 2.208 1.00 0.00 N ATOM 307 CA VAL A 28 -6.166 0.248 1.788 1.00 0.00 C ATOM 308 C VAL A 28 -6.047 0.089 0.277 1.00 0.00 C ATOM 309 O VAL A 28 -6.553 0.912 -0.487 1.00 0.00 O ATOM 310 CB VAL A 28 -7.607 -0.089 2.216 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.000 -1.475 1.728 1.00 0.00 C ATOM 312 CG2 VAL A 28 -7.752 0.015 3.727 1.00 0.00 C ATOM 0 H VAL A 28 -6.294 2.339 1.735 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.478 -0.441 2.278 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.282 0.635 1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.021 -1.695 2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.938 -1.509 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.323 -2.216 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.776 -0.226 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.068 -0.684 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.516 1.030 4.046 1.00 0.00 H new ATOM 322 N PHE A 29 -5.373 -0.974 -0.150 1.00 0.00 N ATOM 323 CA PHE A 29 -5.186 -1.241 -1.572 1.00 0.00 C ATOM 324 C PHE A 29 -5.492 -2.700 -1.896 1.00 0.00 C ATOM 325 O PHE A 29 -5.176 -3.600 -1.117 1.00 0.00 O ATOM 326 CB PHE A 29 -3.755 -0.902 -1.991 1.00 0.00 C ATOM 327 CG PHE A 29 -3.337 0.494 -1.627 1.00 0.00 C ATOM 328 CD1 PHE A 29 -3.043 0.823 -0.313 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.238 1.478 -2.597 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.660 2.107 0.026 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.855 2.764 -2.265 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.565 3.078 -0.952 1.00 0.00 C ATOM 0 H PHE A 29 -4.947 -1.665 0.468 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.879 -0.611 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.071 -1.611 -1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.661 -1.031 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.114 0.067 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.463 1.237 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.435 2.351 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.783 3.522 -3.031 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.264 4.082 -0.690 1.00 0.00 H new ATOM 342 N HIS A 30 -6.108 -2.927 -3.052 1.00 0.00 N ATOM 343 CA HIS A 30 -6.457 -4.277 -3.480 1.00 0.00 C ATOM 344 C HIS A 30 -5.214 -5.157 -3.566 1.00 0.00 C ATOM 345 O HIS A 30 -4.199 -4.762 -4.139 1.00 0.00 O ATOM 346 CB HIS A 30 -7.163 -4.238 -4.836 1.00 0.00 C ATOM 347 CG HIS A 30 -8.585 -3.776 -4.757 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.059 -2.677 -5.442 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.641 -4.272 -4.070 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.343 -2.516 -5.178 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.721 -3.471 -4.348 1.00 0.00 N ATOM 0 H HIS A 30 -6.376 -2.194 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.133 -4.704 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.611 -3.577 -5.505 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.137 -5.234 -5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.635 -5.137 -3.423 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.976 -1.736 -5.574 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.662 -3.594 -3.974 1.00 0.00 H new ATOM 359 N VAL A 31 -5.301 -6.353 -2.991 1.00 0.00 N ATOM 360 CA VAL A 31 -4.184 -7.290 -3.003 1.00 0.00 C ATOM 361 C VAL A 31 -3.379 -7.169 -4.292 1.00 0.00 C ATOM 362 O VAL A 31 -2.161 -7.345 -4.295 1.00 0.00 O ATOM 363 CB VAL A 31 -4.669 -8.743 -2.847 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.412 -8.920 -1.532 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.547 -9.140 -4.023 1.00 0.00 C ATOM 0 H VAL A 31 -6.133 -6.695 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.547 -7.035 -2.156 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.799 -9.399 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.747 -9.953 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.747 -8.679 -0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.275 -8.255 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.881 -10.170 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.414 -8.481 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.977 -9.055 -4.948 1.00 0.00 H new ATOM 375 N GLY A 32 -4.069 -6.868 -5.388 1.00 0.00 N ATOM 376 CA GLY A 32 -3.402 -6.729 -6.669 1.00 0.00 C ATOM 377 C GLY A 32 -2.809 -5.348 -6.868 1.00 0.00 C ATOM 378 O GLY A 32 -1.653 -5.212 -7.269 1.00 0.00 O ATOM 0 H GLY A 32 -5.078 -6.718 -5.411 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.611 -7.475 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.113 -6.934 -7.469 1.00 0.00 H new ATOM 382 N CYS A 33 -3.603 -4.320 -6.588 1.00 0.00 N ATOM 383 CA CYS A 33 -3.152 -2.942 -6.739 1.00 0.00 C ATOM 384 C CYS A 33 -1.879 -2.694 -5.934 1.00 0.00 C ATOM 385 O CYS A 33 -0.894 -2.171 -6.455 1.00 0.00 O ATOM 386 CB CYS A 33 -4.248 -1.972 -6.292 1.00 0.00 C ATOM 387 SG CYS A 33 -5.678 -1.897 -7.418 1.00 0.00 S ATOM 0 H CYS A 33 -4.562 -4.415 -6.255 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.933 -2.772 -7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.595 -2.264 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.819 -0.974 -6.199 1.00 0.00 H new ATOM 392 N PHE A 34 -1.908 -3.074 -4.661 1.00 0.00 N ATOM 393 CA PHE A 34 -0.757 -2.894 -3.783 1.00 0.00 C ATOM 394 C PHE A 34 0.481 -3.569 -4.364 1.00 0.00 C ATOM 395 O PHE A 34 0.631 -4.789 -4.286 1.00 0.00 O ATOM 396 CB PHE A 34 -1.056 -3.459 -2.393 1.00 0.00 C ATOM 397 CG PHE A 34 -0.136 -2.941 -1.325 1.00 0.00 C ATOM 398 CD1 PHE A 34 -0.008 -1.579 -1.103 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.602 -3.816 -0.544 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.837 -1.100 -0.120 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.449 -3.342 0.440 1.00 0.00 C ATOM 402 CZ PHE A 34 1.568 -1.982 0.651 1.00 0.00 C ATOM 0 H PHE A 34 -2.716 -3.508 -4.214 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.560 -1.825 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.084 -3.217 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.983 -4.546 -2.428 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.575 -0.884 -1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.514 -4.880 -0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.926 -0.036 0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.017 -4.034 1.043 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.231 -1.609 1.417 1.00 0.00 H new ATOM 412 N VAL A 35 1.367 -2.768 -4.947 1.00 0.00 N ATOM 413 CA VAL A 35 2.593 -3.286 -5.541 1.00 0.00 C ATOM 414 C VAL A 35 3.681 -2.219 -5.577 1.00 0.00 C ATOM 415 O VAL A 35 3.415 -1.038 -5.349 1.00 0.00 O ATOM 416 CB VAL A 35 2.349 -3.803 -6.972 1.00 0.00 C ATOM 417 CG1 VAL A 35 1.164 -4.756 -7.000 1.00 0.00 C ATOM 418 CG2 VAL A 35 2.132 -2.640 -7.928 1.00 0.00 C ATOM 0 H VAL A 35 1.258 -1.756 -5.021 1.00 0.00 H new ATOM 0 HA VAL A 35 2.922 -4.115 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 35 3.233 -4.351 -7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.007 -5.111 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.364 -5.605 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.270 -4.236 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.961 -3.023 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.265 -2.062 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.014 -2.000 -7.928 1.00 0.00 H new ATOM 428 N CYS A 36 4.907 -2.641 -5.866 1.00 0.00 N ATOM 429 CA CYS A 36 6.037 -1.722 -5.932 1.00 0.00 C ATOM 430 C CYS A 36 5.758 -0.586 -6.911 1.00 0.00 C ATOM 431 O CYS A 36 4.815 -0.651 -7.701 1.00 0.00 O ATOM 432 CB CYS A 36 7.305 -2.469 -6.349 1.00 0.00 C ATOM 433 SG CYS A 36 8.834 -1.495 -6.174 1.00 0.00 S ATOM 0 H CYS A 36 5.144 -3.614 -6.058 1.00 0.00 H new ATOM 0 HA CYS A 36 6.184 -1.295 -4.940 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.394 -3.375 -5.750 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.204 -2.783 -7.388 1.00 0.00 H new ATOM 438 N SER A 37 6.583 0.454 -6.854 1.00 0.00 N ATOM 439 CA SER A 37 6.423 1.607 -7.733 1.00 0.00 C ATOM 440 C SER A 37 7.345 1.498 -8.944 1.00 0.00 C ATOM 441 O SER A 37 7.094 2.103 -9.986 1.00 0.00 O ATOM 442 CB SER A 37 6.714 2.901 -6.970 1.00 0.00 C ATOM 443 OG SER A 37 6.645 4.026 -7.829 1.00 0.00 O ATOM 0 H SER A 37 7.370 0.522 -6.208 1.00 0.00 H new ATOM 0 HA SER A 37 5.391 1.625 -8.084 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.998 3.016 -6.157 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.704 2.845 -6.517 1.00 0.00 H new ATOM 0 HG SER A 37 7.510 4.486 -7.836 1.00 0.00 H new ATOM 449 N THR A 38 8.415 0.723 -8.798 1.00 0.00 N ATOM 450 CA THR A 38 9.375 0.535 -9.877 1.00 0.00 C ATOM 451 C THR A 38 9.103 -0.758 -10.637 1.00 0.00 C ATOM 452 O THR A 38 8.718 -0.734 -11.807 1.00 0.00 O ATOM 453 CB THR A 38 10.821 0.509 -9.345 1.00 0.00 C ATOM 454 OG1 THR A 38 11.143 1.767 -8.741 1.00 0.00 O ATOM 455 CG2 THR A 38 11.805 0.212 -10.466 1.00 0.00 C ATOM 0 H THR A 38 8.638 0.215 -7.942 1.00 0.00 H new ATOM 0 HA THR A 38 9.259 1.382 -10.553 1.00 0.00 H new ATOM 0 HB THR A 38 10.896 -0.282 -8.599 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.063 1.742 -8.404 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.819 0.199 -10.066 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.575 -0.759 -10.904 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.727 0.983 -11.232 1.00 0.00 H new ATOM 463 N CYS A 39 9.304 -1.887 -9.966 1.00 0.00 N ATOM 464 CA CYS A 39 9.080 -3.191 -10.578 1.00 0.00 C ATOM 465 C CYS A 39 7.602 -3.570 -10.526 1.00 0.00 C ATOM 466 O CYS A 39 7.160 -4.482 -11.224 1.00 0.00 O ATOM 467 CB CYS A 39 9.916 -4.260 -9.871 1.00 0.00 C ATOM 468 SG CYS A 39 9.229 -4.808 -8.276 1.00 0.00 S ATOM 0 H CYS A 39 9.622 -1.925 -8.998 1.00 0.00 H new ATOM 0 HA CYS A 39 9.386 -3.131 -11.623 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.013 -5.124 -10.529 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.921 -3.870 -9.707 1.00 0.00 H new ATOM 473 N ARG A 40 6.845 -2.862 -9.694 1.00 0.00 N ATOM 474 CA ARG A 40 5.418 -3.124 -9.550 1.00 0.00 C ATOM 475 C ARG A 40 5.165 -4.592 -9.219 1.00 0.00 C ATOM 476 O ARG A 40 4.302 -5.233 -9.817 1.00 0.00 O ATOM 477 CB ARG A 40 4.676 -2.744 -10.832 1.00 0.00 C ATOM 478 CG ARG A 40 4.364 -1.260 -10.939 1.00 0.00 C ATOM 479 CD ARG A 40 5.579 -0.467 -11.395 1.00 0.00 C ATOM 480 NE ARG A 40 5.201 0.766 -12.081 1.00 0.00 N ATOM 481 CZ ARG A 40 5.964 1.366 -12.987 1.00 0.00 C ATOM 482 NH1 ARG A 40 7.140 0.849 -13.317 1.00 0.00 N ATOM 483 NH2 ARG A 40 5.552 2.486 -13.567 1.00 0.00 N ATOM 0 H ARG A 40 7.196 -2.103 -9.110 1.00 0.00 H new ATOM 0 HA ARG A 40 5.044 -2.514 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.276 -3.043 -11.691 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.744 -3.307 -10.883 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.545 -1.109 -11.642 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.027 -0.887 -9.972 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.200 -0.226 -10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.184 -1.082 -12.061 1.00 0.00 H new ATOM 0 HE ARG A 40 4.302 1.189 -11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.461 -0.012 -12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.724 1.313 -14.013 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.648 2.887 -13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.139 2.946 -14.263 1.00 0.00 H new ATOM 497 N ALA A 41 5.925 -5.117 -8.263 1.00 0.00 N ATOM 498 CA ALA A 41 5.782 -6.508 -7.852 1.00 0.00 C ATOM 499 C ALA A 41 4.830 -6.636 -6.668 1.00 0.00 C ATOM 500 O ALA A 41 4.741 -5.737 -5.833 1.00 0.00 O ATOM 501 CB ALA A 41 7.141 -7.098 -7.505 1.00 0.00 C ATOM 0 H ALA A 41 6.646 -4.600 -7.759 1.00 0.00 H new ATOM 0 HA ALA A 41 5.358 -7.066 -8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.019 -8.137 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.792 -7.050 -8.378 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.587 -6.530 -6.688 1.00 0.00 H new ATOM 507 N GLN A 42 4.121 -7.758 -6.603 1.00 0.00 N ATOM 508 CA GLN A 42 3.174 -8.001 -5.521 1.00 0.00 C ATOM 509 C GLN A 42 3.846 -7.835 -4.162 1.00 0.00 C ATOM 510 O GLN A 42 4.828 -8.513 -3.856 1.00 0.00 O ATOM 511 CB GLN A 42 2.581 -9.406 -5.641 1.00 0.00 C ATOM 512 CG GLN A 42 1.367 -9.478 -6.554 1.00 0.00 C ATOM 513 CD GLN A 42 0.400 -10.575 -6.155 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.810 -11.656 -5.731 1.00 0.00 O ATOM 515 NE2 GLN A 42 -0.892 -10.302 -6.288 1.00 0.00 N ATOM 0 H GLN A 42 4.184 -8.513 -7.286 1.00 0.00 H new ATOM 0 HA GLN A 42 2.372 -7.267 -5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.348 -10.084 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.300 -9.759 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.849 -8.519 -6.539 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.698 -9.646 -7.579 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.187 -9.393 -6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.590 -11.002 -6.035 1.00 0.00 H new ATOM 524 N LEU A 43 3.312 -6.929 -3.351 1.00 0.00 N ATOM 525 CA LEU A 43 3.860 -6.672 -2.024 1.00 0.00 C ATOM 526 C LEU A 43 2.939 -7.221 -0.939 1.00 0.00 C ATOM 527 O LEU A 43 3.053 -6.853 0.231 1.00 0.00 O ATOM 528 CB LEU A 43 4.070 -5.171 -1.819 1.00 0.00 C ATOM 529 CG LEU A 43 5.021 -4.486 -2.801 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.999 -2.979 -2.602 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.435 -5.026 -2.640 1.00 0.00 C ATOM 0 H LEU A 43 2.500 -6.360 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 43 4.821 -7.180 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.100 -4.677 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.447 -5.012 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 43 4.684 -4.703 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.682 -2.509 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.989 -2.605 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.310 -2.742 -1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.098 -4.527 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.782 -4.840 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.439 -6.099 -2.834 1.00 0.00 H new ATOM 543 N ARG A 44 2.028 -8.104 -1.334 1.00 0.00 N ATOM 544 CA ARG A 44 1.088 -8.705 -0.395 1.00 0.00 C ATOM 545 C ARG A 44 1.765 -9.797 0.428 1.00 0.00 C ATOM 546 O ARG A 44 2.483 -10.639 -0.110 1.00 0.00 O ATOM 547 CB ARG A 44 -0.113 -9.286 -1.144 1.00 0.00 C ATOM 548 CG ARG A 44 -1.177 -9.869 -0.229 1.00 0.00 C ATOM 549 CD ARG A 44 -2.481 -10.109 -0.974 1.00 0.00 C ATOM 550 NE ARG A 44 -3.299 -11.133 -0.329 1.00 0.00 N ATOM 551 CZ ARG A 44 -3.905 -10.962 0.840 1.00 0.00 C ATOM 552 NH1 ARG A 44 -3.786 -9.812 1.490 1.00 0.00 N ATOM 553 NH2 ARG A 44 -4.632 -11.941 1.362 1.00 0.00 N ATOM 0 H ARG A 44 1.921 -8.419 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 44 0.742 -7.925 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.561 -8.504 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.235 -10.063 -1.824 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.820 -10.808 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.353 -9.190 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.044 -9.177 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.263 -10.411 -1.998 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.411 -12.029 -0.803 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.228 -9.057 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.252 -9.683 2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.726 -12.827 0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.097 -11.808 2.260 1.00 0.00 H new ATOM 567 N GLY A 45 1.530 -9.776 1.736 1.00 0.00 N ATOM 568 CA GLY A 45 2.124 -10.769 2.613 1.00 0.00 C ATOM 569 C GLY A 45 3.640 -10.744 2.573 1.00 0.00 C ATOM 570 O GLY A 45 4.283 -11.793 2.575 1.00 0.00 O ATOM 0 H GLY A 45 0.939 -9.089 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.787 -10.595 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.772 -11.760 2.326 1.00 0.00 H new ATOM 574 N GLN A 46 4.209 -9.544 2.536 1.00 0.00 N ATOM 575 CA GLN A 46 5.658 -9.388 2.494 1.00 0.00 C ATOM 576 C GLN A 46 6.070 -7.995 2.959 1.00 0.00 C ATOM 577 O GLN A 46 5.242 -7.087 3.040 1.00 0.00 O ATOM 578 CB GLN A 46 6.178 -9.640 1.077 1.00 0.00 C ATOM 579 CG GLN A 46 5.758 -8.575 0.077 1.00 0.00 C ATOM 580 CD GLN A 46 6.419 -8.752 -1.276 1.00 0.00 C ATOM 581 OE1 GLN A 46 6.031 -9.618 -2.060 1.00 0.00 O ATOM 582 NE2 GLN A 46 7.424 -7.930 -1.557 1.00 0.00 N ATOM 0 H GLN A 46 3.690 -8.666 2.534 1.00 0.00 H new ATOM 0 HA GLN A 46 6.097 -10.121 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.266 -9.694 1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.819 -10.610 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.675 -8.604 -0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.008 -7.591 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.713 -7.226 -0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.907 -8.002 -2.452 1.00 0.00 H new ATOM 591 N HIS A 47 7.354 -7.833 3.264 1.00 0.00 N ATOM 592 CA HIS A 47 7.875 -6.550 3.722 1.00 0.00 C ATOM 593 C HIS A 47 8.051 -5.587 2.551 1.00 0.00 C ATOM 594 O HIS A 47 8.040 -5.996 1.390 1.00 0.00 O ATOM 595 CB HIS A 47 9.210 -6.746 4.442 1.00 0.00 C ATOM 596 CG HIS A 47 10.088 -7.777 3.804 1.00 0.00 C ATOM 597 ND1 HIS A 47 10.110 -9.098 4.202 1.00 0.00 N ATOM 598 CD2 HIS A 47 10.979 -7.677 2.790 1.00 0.00 C ATOM 599 CE1 HIS A 47 10.977 -9.765 3.462 1.00 0.00 C ATOM 600 NE2 HIS A 47 11.518 -8.926 2.597 1.00 0.00 N ATOM 0 H HIS A 47 8.052 -8.574 3.202 1.00 0.00 H new ATOM 0 HA HIS A 47 7.155 -6.120 4.418 1.00 0.00 H new ATOM 0 HB2 HIS A 47 9.742 -5.795 4.470 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.017 -7.034 5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.221 -6.782 2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 47 11.205 -10.817 3.549 1.00 0.00 H new ATOM 0 HE2 HIS A 47 12.222 -9.166 1.899 1.00 0.00 H new ATOM 609 N PHE A 48 8.212 -4.306 2.865 1.00 0.00 N ATOM 610 CA PHE A 48 8.388 -3.284 1.840 1.00 0.00 C ATOM 611 C PHE A 48 8.941 -1.997 2.444 1.00 0.00 C ATOM 612 O PHE A 48 9.140 -1.902 3.655 1.00 0.00 O ATOM 613 CB PHE A 48 7.059 -3.001 1.137 1.00 0.00 C ATOM 614 CG PHE A 48 5.880 -2.985 2.069 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.323 -4.169 2.523 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.330 -1.784 2.489 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.239 -4.157 3.381 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.247 -1.766 3.347 1.00 0.00 C ATOM 619 CZ PHE A 48 3.699 -2.954 3.792 1.00 0.00 C ATOM 0 H PHE A 48 8.224 -3.951 3.821 1.00 0.00 H new ATOM 0 HA PHE A 48 9.105 -3.659 1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.123 -2.039 0.629 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.895 -3.757 0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.740 -5.112 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.752 -0.853 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.815 -5.087 3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.829 -0.824 3.670 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.850 -2.942 4.460 1.00 0.00 H new ATOM 629 N TYR A 49 9.187 -1.008 1.591 1.00 0.00 N ATOM 630 CA TYR A 49 9.720 0.273 2.040 1.00 0.00 C ATOM 631 C TYR A 49 8.779 1.415 1.666 1.00 0.00 C ATOM 632 O TYR A 49 7.987 1.301 0.731 1.00 0.00 O ATOM 633 CB TYR A 49 11.101 0.516 1.430 1.00 0.00 C ATOM 634 CG TYR A 49 12.215 -0.214 2.146 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.457 -1.561 1.903 1.00 0.00 C ATOM 636 CD2 TYR A 49 13.026 0.441 3.064 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.473 -2.233 2.555 1.00 0.00 C ATOM 638 CE2 TYR A 49 14.045 -0.222 3.719 1.00 0.00 C ATOM 639 CZ TYR A 49 14.265 -1.559 3.461 1.00 0.00 C ATOM 640 OH TYR A 49 15.278 -2.224 4.113 1.00 0.00 O ATOM 0 H TYR A 49 9.026 -1.069 0.586 1.00 0.00 H new ATOM 0 HA TYR A 49 9.810 0.240 3.126 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.087 0.206 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.312 1.585 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.840 -2.091 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.857 1.488 3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.646 -3.280 2.356 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.666 0.303 4.429 1.00 0.00 H new ATOM 0 HH TYR A 49 15.741 -1.605 4.716 1.00 0.00 H new ATOM 650 N ALA A 50 8.873 2.516 2.405 1.00 0.00 N ATOM 651 CA ALA A 50 8.034 3.680 2.151 1.00 0.00 C ATOM 652 C ALA A 50 8.880 4.927 1.920 1.00 0.00 C ATOM 653 O ALA A 50 9.541 5.419 2.835 1.00 0.00 O ATOM 654 CB ALA A 50 7.071 3.899 3.309 1.00 0.00 C ATOM 0 H ALA A 50 9.522 2.626 3.184 1.00 0.00 H new ATOM 0 HA ALA A 50 7.458 3.491 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.450 4.772 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.436 3.021 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.636 4.061 4.227 1.00 0.00 H new ATOM 660 N VAL A 51 8.855 5.435 0.692 1.00 0.00 N ATOM 661 CA VAL A 51 9.620 6.625 0.341 1.00 0.00 C ATOM 662 C VAL A 51 8.812 7.552 -0.560 1.00 0.00 C ATOM 663 O VAL A 51 8.417 7.171 -1.662 1.00 0.00 O ATOM 664 CB VAL A 51 10.938 6.258 -0.367 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.705 7.513 -0.753 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.785 5.356 0.518 1.00 0.00 C ATOM 0 H VAL A 51 8.313 5.041 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 51 9.850 7.140 1.274 1.00 0.00 H new ATOM 0 HB VAL A 51 10.700 5.712 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.633 7.233 -1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.098 8.117 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.934 8.089 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.712 5.107 0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.016 5.873 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.235 4.441 0.738 1.00 0.00 H new ATOM 676 N GLU A 52 8.571 8.769 -0.085 1.00 0.00 N ATOM 677 CA GLU A 52 7.809 9.750 -0.849 1.00 0.00 C ATOM 678 C GLU A 52 6.379 9.270 -1.077 1.00 0.00 C ATOM 679 O GLU A 52 5.811 9.465 -2.153 1.00 0.00 O ATOM 680 CB GLU A 52 8.488 10.022 -2.193 1.00 0.00 C ATOM 681 CG GLU A 52 9.815 10.752 -2.067 1.00 0.00 C ATOM 682 CD GLU A 52 10.614 10.734 -3.356 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.707 9.657 -3.981 1.00 0.00 O ATOM 684 OE2 GLU A 52 11.148 11.796 -3.738 1.00 0.00 O ATOM 0 H GLU A 52 8.892 9.100 0.825 1.00 0.00 H new ATOM 0 HA GLU A 52 7.776 10.675 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.651 9.075 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.816 10.611 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.631 11.785 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.404 10.294 -1.272 1.00 0.00 H new ATOM 691 N ARG A 53 5.802 8.641 -0.059 1.00 0.00 N ATOM 692 CA ARG A 53 4.439 8.131 -0.148 1.00 0.00 C ATOM 693 C ARG A 53 4.333 7.048 -1.218 1.00 0.00 C ATOM 694 O ARG A 53 3.352 6.989 -1.960 1.00 0.00 O ATOM 695 CB ARG A 53 3.466 9.269 -0.460 1.00 0.00 C ATOM 696 CG ARG A 53 3.392 10.324 0.631 1.00 0.00 C ATOM 697 CD ARG A 53 2.726 11.596 0.132 1.00 0.00 C ATOM 698 NE ARG A 53 2.501 12.556 1.210 1.00 0.00 N ATOM 699 CZ ARG A 53 1.343 12.690 1.845 1.00 0.00 C ATOM 700 NH1 ARG A 53 0.309 11.929 1.513 1.00 0.00 N ATOM 701 NH2 ARG A 53 1.216 13.586 2.816 1.00 0.00 N ATOM 0 H ARG A 53 6.257 8.472 0.838 1.00 0.00 H new ATOM 0 HA ARG A 53 4.177 7.693 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.765 9.745 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.471 8.852 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.836 9.931 1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.397 10.553 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.349 12.054 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.774 11.347 -0.336 1.00 0.00 H new ATOM 0 HE ARG A 53 3.276 13.156 1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.402 11.239 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.580 12.034 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.009 14.173 3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.325 13.688 3.303 1.00 0.00 H new ATOM 715 N ARG A 54 5.349 6.195 -1.292 1.00 0.00 N ATOM 716 CA ARG A 54 5.371 5.116 -2.273 1.00 0.00 C ATOM 717 C ARG A 54 5.717 3.786 -1.609 1.00 0.00 C ATOM 718 O ARG A 54 5.973 3.729 -0.407 1.00 0.00 O ATOM 719 CB ARG A 54 6.380 5.424 -3.380 1.00 0.00 C ATOM 720 CG ARG A 54 5.886 6.450 -4.386 1.00 0.00 C ATOM 721 CD ARG A 54 6.692 6.399 -5.675 1.00 0.00 C ATOM 722 NE ARG A 54 6.159 7.305 -6.690 1.00 0.00 N ATOM 723 CZ ARG A 54 5.035 7.078 -7.359 1.00 0.00 C ATOM 724 NH1 ARG A 54 4.328 5.981 -7.123 1.00 0.00 N ATOM 725 NH2 ARG A 54 4.615 7.949 -8.268 1.00 0.00 N ATOM 0 H ARG A 54 6.168 6.230 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 54 4.376 5.036 -2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.303 5.786 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.623 4.500 -3.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.834 6.268 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.953 7.448 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.729 6.660 -5.465 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.692 5.380 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 54 6.679 8.158 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.647 5.309 -6.426 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.465 5.810 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.156 8.794 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.751 7.774 -8.782 1.00 0.00 H new ATOM 739 N ALA A 55 5.722 2.719 -2.402 1.00 0.00 N ATOM 740 CA ALA A 55 6.039 1.391 -1.893 1.00 0.00 C ATOM 741 C ALA A 55 7.117 0.721 -2.738 1.00 0.00 C ATOM 742 O ALA A 55 6.926 0.484 -3.931 1.00 0.00 O ATOM 743 CB ALA A 55 4.785 0.529 -1.853 1.00 0.00 C ATOM 0 H ALA A 55 5.510 2.749 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 55 6.425 1.500 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.036 -0.461 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.045 0.993 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.375 0.436 -2.859 1.00 0.00 H new ATOM 749 N TYR A 56 8.249 0.419 -2.112 1.00 0.00 N ATOM 750 CA TYR A 56 9.360 -0.220 -2.808 1.00 0.00 C ATOM 751 C TYR A 56 9.729 -1.544 -2.145 1.00 0.00 C ATOM 752 O TYR A 56 9.857 -1.625 -0.923 1.00 0.00 O ATOM 753 CB TYR A 56 10.576 0.707 -2.833 1.00 0.00 C ATOM 754 CG TYR A 56 10.344 1.989 -3.600 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.569 2.053 -4.969 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.899 3.137 -2.955 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.359 3.223 -5.674 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.685 4.310 -3.651 1.00 0.00 C ATOM 759 CZ TYR A 56 9.917 4.349 -5.010 1.00 0.00 C ATOM 760 OH TYR A 56 9.706 5.515 -5.709 1.00 0.00 O ATOM 0 H TYR A 56 8.422 0.606 -1.124 1.00 0.00 H new ATOM 0 HA TYR A 56 9.045 -0.422 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.857 0.952 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.418 0.176 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.914 1.173 -5.492 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.717 3.111 -1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.540 3.256 -6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.338 5.192 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 56 9.444 5.302 -6.629 1.00 0.00 H new ATOM 770 N CYS A 57 9.899 -2.579 -2.960 1.00 0.00 N ATOM 771 CA CYS A 57 10.253 -3.900 -2.455 1.00 0.00 C ATOM 772 C CYS A 57 11.725 -3.953 -2.055 1.00 0.00 C ATOM 773 O CYS A 57 12.574 -3.330 -2.693 1.00 0.00 O ATOM 774 CB CYS A 57 9.961 -4.968 -3.511 1.00 0.00 C ATOM 775 SG CYS A 57 10.846 -4.720 -5.083 1.00 0.00 S ATOM 0 H CYS A 57 9.797 -2.529 -3.974 1.00 0.00 H new ATOM 0 HA CYS A 57 9.647 -4.098 -1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.226 -5.945 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.889 -4.985 -3.708 1.00 0.00 H new ATOM 780 N GLU A 58 12.019 -4.701 -0.997 1.00 0.00 N ATOM 781 CA GLU A 58 13.388 -4.834 -0.513 1.00 0.00 C ATOM 782 C GLU A 58 14.382 -4.786 -1.670 1.00 0.00 C ATOM 783 O GLU A 58 15.338 -4.011 -1.650 1.00 0.00 O ATOM 784 CB GLU A 58 13.554 -6.144 0.261 1.00 0.00 C ATOM 785 CG GLU A 58 14.983 -6.414 0.701 1.00 0.00 C ATOM 786 CD GLU A 58 15.798 -7.121 -0.365 1.00 0.00 C ATOM 787 OE1 GLU A 58 15.198 -7.845 -1.186 1.00 0.00 O ATOM 788 OE2 GLU A 58 17.035 -6.950 -0.377 1.00 0.00 O ATOM 0 H GLU A 58 11.328 -5.224 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 58 13.593 -3.997 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.910 -6.121 1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.212 -6.970 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.465 -5.470 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.972 -7.021 1.607 1.00 0.00 H new ATOM 795 N GLY A 59 14.148 -5.620 -2.679 1.00 0.00 N ATOM 796 CA GLY A 59 15.030 -5.657 -3.830 1.00 0.00 C ATOM 797 C GLY A 59 15.239 -4.287 -4.445 1.00 0.00 C ATOM 798 O GLY A 59 16.362 -3.786 -4.495 1.00 0.00 O ATOM 0 H GLY A 59 13.363 -6.270 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.994 -6.069 -3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.615 -6.329 -4.581 1.00 0.00 H new ATOM 802 N CYS A 60 14.155 -3.681 -4.917 1.00 0.00 N ATOM 803 CA CYS A 60 14.224 -2.362 -5.534 1.00 0.00 C ATOM 804 C CYS A 60 14.858 -1.349 -4.584 1.00 0.00 C ATOM 805 O CYS A 60 15.811 -0.658 -4.944 1.00 0.00 O ATOM 806 CB CYS A 60 12.825 -1.891 -5.938 1.00 0.00 C ATOM 807 SG CYS A 60 12.305 -2.441 -7.595 1.00 0.00 S ATOM 0 H CYS A 60 13.218 -4.083 -4.884 1.00 0.00 H new ATOM 0 HA CYS A 60 14.847 -2.438 -6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.105 -2.253 -5.204 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.796 -0.802 -5.902 1.00 0.00 H new ATOM 812 N TYR A 61 14.324 -1.269 -3.371 1.00 0.00 N ATOM 813 CA TYR A 61 14.835 -0.340 -2.370 1.00 0.00 C ATOM 814 C TYR A 61 16.357 -0.418 -2.283 1.00 0.00 C ATOM 815 O TYR A 61 17.041 0.605 -2.242 1.00 0.00 O ATOM 816 CB TYR A 61 14.219 -0.640 -1.003 1.00 0.00 C ATOM 817 CG TYR A 61 14.727 0.259 0.101 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.143 1.498 0.338 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.791 -0.128 0.906 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.604 2.324 1.345 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.258 0.690 1.916 1.00 0.00 C ATOM 822 CZ TYR A 61 15.661 1.915 2.132 1.00 0.00 C ATOM 823 OH TYR A 61 16.124 2.734 3.136 1.00 0.00 O ATOM 0 H TYR A 61 13.537 -1.836 -3.057 1.00 0.00 H new ATOM 0 HA TYR A 61 14.557 0.670 -2.672 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.136 -0.540 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.427 -1.677 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.315 1.820 -0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.261 -1.086 0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.140 3.284 1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.086 0.373 2.533 1.00 0.00 H new ATOM 0 HH TYR A 61 16.871 2.297 3.596 1.00 0.00 H new ATOM 833 N VAL A 62 16.880 -1.640 -2.255 1.00 0.00 N ATOM 834 CA VAL A 62 18.320 -1.853 -2.174 1.00 0.00 C ATOM 835 C VAL A 62 19.001 -1.513 -3.495 1.00 0.00 C ATOM 836 O VAL A 62 20.087 -0.937 -3.515 1.00 0.00 O ATOM 837 CB VAL A 62 18.651 -3.309 -1.798 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.153 -3.545 -1.848 1.00 0.00 C ATOM 839 CG2 VAL A 62 18.097 -3.643 -0.421 1.00 0.00 C ATOM 0 H VAL A 62 16.328 -2.497 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 62 18.695 -1.190 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 62 18.179 -3.970 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.368 -4.579 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.519 -3.348 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.650 -2.877 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.340 -4.676 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.539 -2.977 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.014 -3.516 -0.424 1.00 0.00 H new ATOM 849 N ALA A 63 18.353 -1.875 -4.598 1.00 0.00 N ATOM 850 CA ALA A 63 18.895 -1.606 -5.925 1.00 0.00 C ATOM 851 C ALA A 63 19.093 -0.110 -6.144 1.00 0.00 C ATOM 852 O ALA A 63 20.124 0.322 -6.660 1.00 0.00 O ATOM 853 CB ALA A 63 17.980 -2.182 -6.995 1.00 0.00 C ATOM 0 H ALA A 63 17.453 -2.355 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 63 19.869 -2.089 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.397 -1.974 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.893 -3.260 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.993 -1.725 -6.914 1.00 0.00 H new ATOM 859 N THR A 64 18.098 0.678 -5.749 1.00 0.00 N ATOM 860 CA THR A 64 18.162 2.126 -5.905 1.00 0.00 C ATOM 861 C THR A 64 19.398 2.698 -5.221 1.00 0.00 C ATOM 862 O THR A 64 20.102 3.536 -5.787 1.00 0.00 O ATOM 863 CB THR A 64 16.908 2.809 -5.328 1.00 0.00 C ATOM 864 OG1 THR A 64 16.817 2.559 -3.920 1.00 0.00 O ATOM 865 CG2 THR A 64 15.650 2.305 -6.019 1.00 0.00 C ATOM 0 H THR A 64 17.238 0.338 -5.319 1.00 0.00 H new ATOM 0 HA THR A 64 18.216 2.327 -6.975 1.00 0.00 H new ATOM 0 HB THR A 64 16.994 3.882 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.973 1.607 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.778 2.802 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.708 2.523 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.561 1.228 -5.873 1.00 0.00 H new ATOM 873 N LEU A 65 19.659 2.241 -4.001 1.00 0.00 N ATOM 874 CA LEU A 65 20.812 2.707 -3.239 1.00 0.00 C ATOM 875 C LEU A 65 22.101 2.523 -4.035 1.00 0.00 C ATOM 876 O LEU A 65 22.956 3.407 -4.061 1.00 0.00 O ATOM 877 CB LEU A 65 20.909 1.955 -1.911 1.00 0.00 C ATOM 878 CG LEU A 65 19.706 2.088 -0.976 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.864 1.175 0.230 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.533 3.534 -0.532 1.00 0.00 C ATOM 0 H LEU A 65 19.087 1.548 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 65 20.678 3.770 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.062 0.897 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.796 2.305 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 65 18.812 1.786 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 65 18.999 1.283 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.939 0.140 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.768 1.446 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.672 3.610 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.429 3.862 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.374 4.166 -1.405 1.00 0.00 H new ATOM 892 N GLU A 66 22.230 1.371 -4.685 1.00 0.00 N ATOM 893 CA GLU A 66 23.413 1.073 -5.483 1.00 0.00 C ATOM 894 C GLU A 66 23.368 1.808 -6.819 1.00 0.00 C ATOM 895 O GLU A 66 24.209 2.664 -7.097 1.00 0.00 O ATOM 896 CB GLU A 66 23.529 -0.434 -5.721 1.00 0.00 C ATOM 897 CG GLU A 66 24.396 -0.797 -6.915 1.00 0.00 C ATOM 898 CD GLU A 66 25.749 -0.113 -6.882 1.00 0.00 C ATOM 899 OE1 GLU A 66 26.351 -0.044 -5.790 1.00 0.00 O ATOM 900 OE2 GLU A 66 26.206 0.352 -7.947 1.00 0.00 O ATOM 0 H GLU A 66 21.530 0.629 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 66 24.288 1.414 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 66 23.941 -0.904 -4.828 1.00 0.00 H new ATOM 0 HB3 GLU A 66 22.531 -0.848 -5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 66 24.540 -1.877 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 66 23.877 -0.523 -7.833 1.00 0.00 H new ATOM 907 N SER A 67 22.382 1.468 -7.642 1.00 0.00 N ATOM 908 CA SER A 67 22.228 2.093 -8.951 1.00 0.00 C ATOM 909 C SER A 67 20.980 2.968 -8.992 1.00 0.00 C ATOM 910 O SER A 67 19.923 2.586 -8.491 1.00 0.00 O ATOM 911 CB SER A 67 22.153 1.024 -10.043 1.00 0.00 C ATOM 912 OG SER A 67 22.013 1.614 -11.324 1.00 0.00 O ATOM 0 H SER A 67 21.677 0.763 -7.426 1.00 0.00 H new ATOM 0 HA SER A 67 23.098 2.725 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.053 0.410 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.310 0.361 -9.850 1.00 0.00 H new ATOM 0 HG SER A 67 21.969 0.911 -12.005 1.00 0.00 H new ATOM 918 N GLY A 68 21.110 4.146 -9.594 1.00 0.00 N ATOM 919 CA GLY A 68 19.986 5.059 -9.691 1.00 0.00 C ATOM 920 C GLY A 68 20.420 6.491 -9.929 1.00 0.00 C ATOM 921 O GLY A 68 21.382 6.978 -9.334 1.00 0.00 O ATOM 0 H GLY A 68 21.974 4.485 -10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.333 4.741 -10.504 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.401 5.008 -8.773 1.00 0.00 H new ATOM 925 N PRO A 69 19.703 7.191 -10.821 1.00 0.00 N ATOM 926 CA PRO A 69 20.002 8.585 -11.158 1.00 0.00 C ATOM 927 C PRO A 69 19.688 9.539 -10.011 1.00 0.00 C ATOM 928 O PRO A 69 18.537 9.925 -9.808 1.00 0.00 O ATOM 929 CB PRO A 69 19.086 8.866 -12.352 1.00 0.00 C ATOM 930 CG PRO A 69 17.956 7.907 -12.197 1.00 0.00 C ATOM 931 CD PRO A 69 18.544 6.674 -11.568 1.00 0.00 C ATOM 0 HA PRO A 69 21.061 8.734 -11.371 1.00 0.00 H new ATOM 0 HB2 PRO A 69 18.733 9.897 -12.346 1.00 0.00 H new ATOM 0 HB3 PRO A 69 19.608 8.713 -13.296 1.00 0.00 H new ATOM 0 HG2 PRO A 69 17.170 8.328 -11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 69 17.505 7.676 -13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 69 17.830 6.179 -10.910 1.00 0.00 H new ATOM 0 HD3 PRO A 69 18.844 5.944 -12.319 1.00 0.00 H new ATOM 939 N SER A 70 20.720 9.917 -9.262 1.00 0.00 N ATOM 940 CA SER A 70 20.553 10.824 -8.132 1.00 0.00 C ATOM 941 C SER A 70 21.757 11.751 -7.998 1.00 0.00 C ATOM 942 O SER A 70 22.889 11.362 -8.283 1.00 0.00 O ATOM 943 CB SER A 70 20.359 10.030 -6.839 1.00 0.00 C ATOM 944 OG SER A 70 19.601 10.769 -5.897 1.00 0.00 O ATOM 0 H SER A 70 21.680 9.609 -9.417 1.00 0.00 H new ATOM 0 HA SER A 70 19.667 11.432 -8.313 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.855 9.089 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 70 21.330 9.779 -6.413 1.00 0.00 H new ATOM 0 HG SER A 70 19.489 10.240 -5.080 1.00 0.00 H new ATOM 950 N SER A 71 21.503 12.981 -7.563 1.00 0.00 N ATOM 951 CA SER A 71 22.564 13.967 -7.394 1.00 0.00 C ATOM 952 C SER A 71 22.650 14.429 -5.942 1.00 0.00 C ATOM 953 O SER A 71 21.858 14.012 -5.098 1.00 0.00 O ATOM 954 CB SER A 71 22.324 15.168 -8.310 1.00 0.00 C ATOM 955 OG SER A 71 21.196 15.915 -7.886 1.00 0.00 O ATOM 0 H SER A 71 20.571 13.319 -7.321 1.00 0.00 H new ATOM 0 HA SER A 71 23.510 13.497 -7.664 1.00 0.00 H new ATOM 0 HB2 SER A 71 23.207 15.808 -8.315 1.00 0.00 H new ATOM 0 HB3 SER A 71 22.173 14.825 -9.333 1.00 0.00 H new ATOM 0 HG SER A 71 21.065 16.678 -8.486 1.00 0.00 H new ATOM 961 N GLY A 72 23.620 15.294 -5.660 1.00 0.00 N ATOM 962 CA GLY A 72 23.793 15.799 -4.310 1.00 0.00 C ATOM 963 C GLY A 72 22.485 16.236 -3.682 1.00 0.00 C ATOM 964 O GLY A 72 22.492 16.693 -2.540 1.00 0.00 O ATOM 0 H GLY A 72 24.288 15.654 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 72 24.249 15.025 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.484 16.642 -4.327 1.00 0.00 H new TER 968 GLY A 72 HETATM 969 ZN ZN A 201 -7.753 -1.397 -6.406 1.00 0.00 ZN HETATM 970 ZN ZN A 401 10.240 -3.237 -6.819 1.00 0.00 ZN