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 Set 1.1: A 37 SER OG : rot -137:sc= -0.646 USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.789 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00174 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 38 THR OG1 : rot 85:sc= 0.0488 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 46 GLN : amide:sc= -2.05 X(o=-2,f=-1.7) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -50:sc= 0.791 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 157:sc= 0.308 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.777 8.336 3.098 1.00 0.00 N ATOM 2 CA GLY A 1 -20.462 7.727 3.179 1.00 0.00 C ATOM 3 C GLY A 1 -19.398 8.705 3.639 1.00 0.00 C ATOM 4 O GLY A 1 -18.491 9.048 2.881 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.469 7.628 2.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.053 8.692 4.035 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.753 9.125 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.498 6.883 3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.188 7.330 2.202 1.00 0.00 H new ATOM 8 N SER A 2 -19.510 9.156 4.884 1.00 0.00 N ATOM 9 CA SER A 2 -18.553 10.105 5.442 1.00 0.00 C ATOM 10 C SER A 2 -17.164 9.481 5.541 1.00 0.00 C ATOM 11 O SER A 2 -16.174 10.073 5.112 1.00 0.00 O ATOM 12 CB SER A 2 -19.014 10.572 6.824 1.00 0.00 C ATOM 13 OG SER A 2 -19.242 9.471 7.686 1.00 0.00 O ATOM 0 H SER A 2 -20.253 8.880 5.526 1.00 0.00 H new ATOM 0 HA SER A 2 -18.499 10.965 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.260 11.228 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.929 11.157 6.727 1.00 0.00 H new ATOM 0 HG SER A 2 -19.534 9.797 8.563 1.00 0.00 H new ATOM 19 N SER A 3 -17.100 8.281 6.109 1.00 0.00 N ATOM 20 CA SER A 3 -15.833 7.577 6.268 1.00 0.00 C ATOM 21 C SER A 3 -15.383 6.963 4.945 1.00 0.00 C ATOM 22 O SER A 3 -16.018 6.048 4.424 1.00 0.00 O ATOM 23 CB SER A 3 -15.962 6.485 7.332 1.00 0.00 C ATOM 24 OG SER A 3 -15.976 7.042 8.635 1.00 0.00 O ATOM 0 H SER A 3 -17.911 7.776 6.467 1.00 0.00 H new ATOM 0 HA SER A 3 -15.082 8.299 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.878 5.917 7.166 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.132 5.785 7.241 1.00 0.00 H new ATOM 0 HG SER A 3 -16.061 6.324 9.297 1.00 0.00 H new ATOM 30 N GLY A 4 -14.280 7.476 4.407 1.00 0.00 N ATOM 31 CA GLY A 4 -13.762 6.967 3.151 1.00 0.00 C ATOM 32 C GLY A 4 -12.403 6.315 3.305 1.00 0.00 C ATOM 33 O GLY A 4 -11.456 6.664 2.601 1.00 0.00 O ATOM 0 H GLY A 4 -13.737 8.235 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.464 6.242 2.739 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.690 7.784 2.434 1.00 0.00 H new ATOM 37 N SER A 5 -12.305 5.366 4.231 1.00 0.00 N ATOM 38 CA SER A 5 -11.050 4.667 4.480 1.00 0.00 C ATOM 39 C SER A 5 -10.968 3.387 3.653 1.00 0.00 C ATOM 40 O SER A 5 -9.920 3.062 3.094 1.00 0.00 O ATOM 41 CB SER A 5 -10.912 4.336 5.967 1.00 0.00 C ATOM 42 OG SER A 5 -11.961 3.487 6.400 1.00 0.00 O ATOM 0 H SER A 5 -13.080 5.064 4.821 1.00 0.00 H new ATOM 0 HA SER A 5 -10.232 5.324 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.951 3.854 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.921 5.257 6.550 1.00 0.00 H new ATOM 0 HG SER A 5 -11.849 3.289 7.353 1.00 0.00 H new ATOM 48 N SER A 6 -12.081 2.665 3.580 1.00 0.00 N ATOM 49 CA SER A 6 -12.135 1.418 2.825 1.00 0.00 C ATOM 50 C SER A 6 -11.681 1.635 1.385 1.00 0.00 C ATOM 51 O SER A 6 -10.963 0.813 0.818 1.00 0.00 O ATOM 52 CB SER A 6 -13.555 0.847 2.844 1.00 0.00 C ATOM 53 OG SER A 6 -14.440 1.657 2.090 1.00 0.00 O ATOM 0 H SER A 6 -12.958 2.922 4.034 1.00 0.00 H new ATOM 0 HA SER A 6 -11.458 0.706 3.297 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.549 -0.165 2.439 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.908 0.777 3.873 1.00 0.00 H new ATOM 0 HG SER A 6 -15.340 1.270 2.116 1.00 0.00 H new ATOM 59 N GLY A 7 -12.107 2.750 0.798 1.00 0.00 N ATOM 60 CA GLY A 7 -11.736 3.056 -0.571 1.00 0.00 C ATOM 61 C GLY A 7 -10.341 2.573 -0.915 1.00 0.00 C ATOM 62 O GLY A 7 -9.462 2.525 -0.053 1.00 0.00 O ATOM 0 H GLY A 7 -12.702 3.446 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.454 2.597 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.793 4.133 -0.728 1.00 0.00 H new ATOM 66 N CYS A 8 -10.135 2.214 -2.178 1.00 0.00 N ATOM 67 CA CYS A 8 -8.838 1.730 -2.634 1.00 0.00 C ATOM 68 C CYS A 8 -7.990 2.876 -3.178 1.00 0.00 C ATOM 69 O CYS A 8 -8.262 3.407 -4.254 1.00 0.00 O ATOM 70 CB CYS A 8 -9.020 0.659 -3.712 1.00 0.00 C ATOM 71 SG CYS A 8 -7.457 -0.003 -4.373 1.00 0.00 S ATOM 0 H CYS A 8 -10.851 2.249 -2.904 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.321 1.292 -1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.604 -0.163 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.600 1.080 -4.533 1.00 0.00 H new ATOM 76 N GLY A 9 -6.961 3.253 -2.425 1.00 0.00 N ATOM 77 CA GLY A 9 -6.089 4.333 -2.848 1.00 0.00 C ATOM 78 C GLY A 9 -5.542 4.124 -4.246 1.00 0.00 C ATOM 79 O GLY A 9 -5.304 5.084 -4.978 1.00 0.00 O ATOM 0 H GLY A 9 -6.716 2.830 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.638 5.274 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.260 4.422 -2.146 1.00 0.00 H new ATOM 83 N GLY A 10 -5.340 2.863 -4.618 1.00 0.00 N ATOM 84 CA GLY A 10 -4.817 2.553 -5.936 1.00 0.00 C ATOM 85 C GLY A 10 -5.798 2.885 -7.042 1.00 0.00 C ATOM 86 O GLY A 10 -5.630 3.873 -7.757 1.00 0.00 O ATOM 0 H GLY A 10 -5.529 2.051 -4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.892 3.108 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.566 1.493 -5.984 1.00 0.00 H new ATOM 90 N CYS A 11 -6.827 2.056 -7.186 1.00 0.00 N ATOM 91 CA CYS A 11 -7.839 2.264 -8.215 1.00 0.00 C ATOM 92 C CYS A 11 -8.880 3.281 -7.756 1.00 0.00 C ATOM 93 O CYS A 11 -9.224 4.207 -8.489 1.00 0.00 O ATOM 94 CB CYS A 11 -8.522 0.939 -8.562 1.00 0.00 C ATOM 95 SG CYS A 11 -9.233 0.070 -7.128 1.00 0.00 S ATOM 0 H CYS A 11 -6.982 1.234 -6.603 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.344 2.654 -9.104 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.314 1.130 -9.287 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.797 0.285 -9.047 1.00 0.00 H new ATOM 100 N GLY A 12 -9.378 3.100 -6.536 1.00 0.00 N ATOM 101 CA GLY A 12 -10.375 4.009 -6.000 1.00 0.00 C ATOM 102 C GLY A 12 -11.593 3.283 -5.465 1.00 0.00 C ATOM 103 O GLY A 12 -12.156 3.673 -4.443 1.00 0.00 O ATOM 0 H GLY A 12 -9.109 2.341 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.929 4.602 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.684 4.705 -6.780 1.00 0.00 H new ATOM 107 N GLU A 13 -12.003 2.226 -6.160 1.00 0.00 N ATOM 108 CA GLU A 13 -13.165 1.447 -5.749 1.00 0.00 C ATOM 109 C GLU A 13 -13.041 1.012 -4.291 1.00 0.00 C ATOM 110 O GLU A 13 -11.938 0.924 -3.750 1.00 0.00 O ATOM 111 CB GLU A 13 -13.325 0.218 -6.647 1.00 0.00 C ATOM 112 CG GLU A 13 -13.957 0.527 -7.994 1.00 0.00 C ATOM 113 CD GLU A 13 -15.470 0.428 -7.965 1.00 0.00 C ATOM 114 OE1 GLU A 13 -16.063 0.728 -6.908 1.00 0.00 O ATOM 115 OE2 GLU A 13 -16.060 0.052 -8.999 1.00 0.00 O ATOM 0 H GLU A 13 -11.548 1.890 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.048 2.079 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.346 -0.233 -6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.935 -0.522 -6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.668 1.531 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.566 -0.163 -8.742 1.00 0.00 H new ATOM 122 N ASP A 14 -14.179 0.743 -3.662 1.00 0.00 N ATOM 123 CA ASP A 14 -14.199 0.317 -2.267 1.00 0.00 C ATOM 124 C ASP A 14 -13.549 -1.053 -2.108 1.00 0.00 C ATOM 125 O ASP A 14 -13.542 -1.861 -3.037 1.00 0.00 O ATOM 126 CB ASP A 14 -15.636 0.277 -1.745 1.00 0.00 C ATOM 127 CG ASP A 14 -16.338 1.614 -1.879 1.00 0.00 C ATOM 128 OD1 ASP A 14 -15.709 2.648 -1.571 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.517 1.627 -2.290 1.00 0.00 O ATOM 0 H ASP A 14 -15.100 0.812 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.628 1.040 -1.684 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.197 -0.481 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.631 -0.024 -0.697 1.00 0.00 H new ATOM 134 N VAL A 15 -13.000 -1.308 -0.924 1.00 0.00 N ATOM 135 CA VAL A 15 -12.347 -2.581 -0.642 1.00 0.00 C ATOM 136 C VAL A 15 -13.172 -3.420 0.327 1.00 0.00 C ATOM 137 O VAL A 15 -13.224 -3.135 1.523 1.00 0.00 O ATOM 138 CB VAL A 15 -10.940 -2.371 -0.052 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.295 -3.708 0.281 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.072 -1.576 -1.016 1.00 0.00 C ATOM 0 H VAL A 15 -12.995 -0.650 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.260 -3.109 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.034 -1.800 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.302 -3.539 0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.909 -4.236 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.212 -4.308 -0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.081 -1.437 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.984 -2.118 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.528 -0.603 -1.199 1.00 0.00 H new ATOM 150 N VAL A 16 -13.817 -4.457 -0.198 1.00 0.00 N ATOM 151 CA VAL A 16 -14.639 -5.340 0.621 1.00 0.00 C ATOM 152 C VAL A 16 -14.096 -6.765 0.609 1.00 0.00 C ATOM 153 O VAL A 16 -13.547 -7.223 -0.392 1.00 0.00 O ATOM 154 CB VAL A 16 -16.101 -5.356 0.135 1.00 0.00 C ATOM 155 CG1 VAL A 16 -16.935 -6.305 0.982 1.00 0.00 C ATOM 156 CG2 VAL A 16 -16.686 -3.952 0.160 1.00 0.00 C ATOM 0 H VAL A 16 -13.786 -4.706 -1.187 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.606 -4.950 1.638 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.120 -5.714 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.965 -6.303 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -16.527 -7.313 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.912 -5.980 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -17.719 -3.982 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -16.656 -3.563 1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -16.103 -3.303 -0.494 1.00 0.00 H new ATOM 166 N GLY A 17 -14.254 -7.462 1.730 1.00 0.00 N ATOM 167 CA GLY A 17 -13.775 -8.828 1.828 1.00 0.00 C ATOM 168 C GLY A 17 -13.394 -9.209 3.245 1.00 0.00 C ATOM 169 O GLY A 17 -12.338 -8.813 3.739 1.00 0.00 O ATOM 0 H GLY A 17 -14.705 -7.105 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.548 -9.507 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.910 -8.954 1.176 1.00 0.00 H new ATOM 173 N ASP A 18 -14.256 -9.978 3.901 1.00 0.00 N ATOM 174 CA ASP A 18 -14.005 -10.412 5.270 1.00 0.00 C ATOM 175 C ASP A 18 -12.515 -10.646 5.501 1.00 0.00 C ATOM 176 O ASP A 18 -11.952 -10.189 6.495 1.00 0.00 O ATOM 177 CB ASP A 18 -14.788 -11.690 5.574 1.00 0.00 C ATOM 178 CG ASP A 18 -14.551 -12.192 6.985 1.00 0.00 C ATOM 179 OD1 ASP A 18 -14.748 -11.407 7.935 1.00 0.00 O ATOM 180 OD2 ASP A 18 -14.167 -13.371 7.139 1.00 0.00 O ATOM 0 H ASP A 18 -15.135 -10.314 3.507 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.339 -9.622 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.852 -11.503 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.503 -12.465 4.863 1.00 0.00 H new ATOM 185 N GLY A 19 -11.883 -11.363 4.577 1.00 0.00 N ATOM 186 CA GLY A 19 -10.465 -11.646 4.699 1.00 0.00 C ATOM 187 C GLY A 19 -9.650 -11.016 3.588 1.00 0.00 C ATOM 188 O GLY A 19 -8.815 -11.676 2.970 1.00 0.00 O ATOM 0 H GLY A 19 -12.328 -11.753 3.746 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.106 -11.280 5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.311 -12.725 4.691 1.00 0.00 H new ATOM 192 N ALA A 20 -9.893 -9.735 3.331 1.00 0.00 N ATOM 193 CA ALA A 20 -9.174 -9.015 2.287 1.00 0.00 C ATOM 194 C ALA A 20 -9.012 -7.542 2.647 1.00 0.00 C ATOM 195 O ALA A 20 -9.688 -7.034 3.540 1.00 0.00 O ATOM 196 CB ALA A 20 -9.896 -9.159 0.955 1.00 0.00 C ATOM 0 H ALA A 20 -10.582 -9.174 3.832 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.179 -9.451 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.349 -8.617 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.954 -10.213 0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.903 -8.750 1.041 1.00 0.00 H new ATOM 202 N GLY A 21 -8.111 -6.862 1.945 1.00 0.00 N ATOM 203 CA GLY A 21 -7.876 -5.454 2.206 1.00 0.00 C ATOM 204 C GLY A 21 -6.505 -5.195 2.799 1.00 0.00 C ATOM 205 O GLY A 21 -6.272 -5.455 3.980 1.00 0.00 O ATOM 0 H GLY A 21 -7.540 -7.261 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.978 -4.893 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.640 -5.082 2.889 1.00 0.00 H new ATOM 209 N VAL A 22 -5.594 -4.684 1.978 1.00 0.00 N ATOM 210 CA VAL A 22 -4.238 -4.390 2.428 1.00 0.00 C ATOM 211 C VAL A 22 -4.126 -2.959 2.939 1.00 0.00 C ATOM 212 O VAL A 22 -4.255 -2.003 2.174 1.00 0.00 O ATOM 213 CB VAL A 22 -3.214 -4.601 1.297 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.812 -4.250 1.774 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.269 -6.034 0.788 1.00 0.00 C ATOM 0 H VAL A 22 -5.770 -4.465 0.997 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.018 -5.081 3.242 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.469 -3.936 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.102 -4.405 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.784 -3.206 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.544 -4.887 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.539 -6.165 -0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.040 -6.719 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.267 -6.246 0.405 1.00 0.00 H new ATOM 225 N VAL A 23 -3.885 -2.817 4.239 1.00 0.00 N ATOM 226 CA VAL A 23 -3.754 -1.502 4.854 1.00 0.00 C ATOM 227 C VAL A 23 -2.290 -1.100 4.985 1.00 0.00 C ATOM 228 O VAL A 23 -1.512 -1.766 5.668 1.00 0.00 O ATOM 229 CB VAL A 23 -4.412 -1.465 6.246 1.00 0.00 C ATOM 230 CG1 VAL A 23 -4.226 -0.099 6.888 1.00 0.00 C ATOM 231 CG2 VAL A 23 -5.888 -1.820 6.147 1.00 0.00 C ATOM 0 H VAL A 23 -3.777 -3.598 4.887 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.265 -0.795 4.200 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.925 -2.207 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.697 -0.092 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.162 0.111 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.685 0.664 6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.337 -1.789 7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.392 -1.103 5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.994 -2.822 5.732 1.00 0.00 H new ATOM 241 N ALA A 24 -1.920 -0.006 4.327 1.00 0.00 N ATOM 242 CA ALA A 24 -0.549 0.487 4.372 1.00 0.00 C ATOM 243 C ALA A 24 -0.504 2.001 4.201 1.00 0.00 C ATOM 244 O ALA A 24 -1.234 2.566 3.385 1.00 0.00 O ATOM 245 CB ALA A 24 0.291 -0.193 3.301 1.00 0.00 C ATOM 0 H ALA A 24 -2.551 0.556 3.756 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.134 0.246 5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.313 0.184 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.294 -1.270 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.131 0.019 2.319 1.00 0.00 H new ATOM 251 N LEU A 25 0.355 2.654 4.975 1.00 0.00 N ATOM 252 CA LEU A 25 0.495 4.105 4.910 1.00 0.00 C ATOM 253 C LEU A 25 -0.832 4.794 5.212 1.00 0.00 C ATOM 254 O LEU A 25 -1.196 5.773 4.562 1.00 0.00 O ATOM 255 CB LEU A 25 0.999 4.526 3.529 1.00 0.00 C ATOM 256 CG LEU A 25 2.262 3.823 3.031 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.400 3.974 1.524 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.492 4.373 3.739 1.00 0.00 C ATOM 0 H LEU A 25 0.966 2.202 5.656 1.00 0.00 H new ATOM 0 HA LEU A 25 1.221 4.410 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.202 4.353 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.188 5.599 3.545 1.00 0.00 H new ATOM 0 HG LEU A 25 2.178 2.761 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.305 3.467 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.533 3.532 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.461 5.032 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.382 3.861 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.579 5.441 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.397 4.211 4.813 1.00 0.00 H new ATOM 270 N ASP A 26 -1.548 4.277 6.204 1.00 0.00 N ATOM 271 CA ASP A 26 -2.833 4.844 6.595 1.00 0.00 C ATOM 272 C ASP A 26 -3.803 4.856 5.418 1.00 0.00 C ATOM 273 O ASP A 26 -4.644 5.748 5.302 1.00 0.00 O ATOM 274 CB ASP A 26 -2.646 6.264 7.132 1.00 0.00 C ATOM 275 CG ASP A 26 -2.416 6.291 8.630 1.00 0.00 C ATOM 276 OD1 ASP A 26 -2.868 5.351 9.317 1.00 0.00 O ATOM 277 OD2 ASP A 26 -1.784 7.252 9.116 1.00 0.00 O ATOM 0 H ASP A 26 -1.260 3.466 6.752 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.253 4.218 7.382 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.799 6.731 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.527 6.859 6.892 1.00 0.00 H new ATOM 282 N ARG A 27 -3.680 3.860 4.546 1.00 0.00 N ATOM 283 CA ARG A 27 -4.544 3.757 3.377 1.00 0.00 C ATOM 284 C ARG A 27 -4.956 2.309 3.131 1.00 0.00 C ATOM 285 O ARG A 27 -4.533 1.401 3.848 1.00 0.00 O ATOM 286 CB ARG A 27 -3.834 4.313 2.141 1.00 0.00 C ATOM 287 CG ARG A 27 -4.035 5.807 1.944 1.00 0.00 C ATOM 288 CD ARG A 27 -5.235 6.095 1.055 1.00 0.00 C ATOM 289 NE ARG A 27 -5.137 7.402 0.411 1.00 0.00 N ATOM 290 CZ ARG A 27 -5.573 8.528 0.963 1.00 0.00 C ATOM 291 NH1 ARG A 27 -6.134 8.508 2.164 1.00 0.00 N ATOM 292 NH2 ARG A 27 -5.449 9.679 0.313 1.00 0.00 N ATOM 0 H ARG A 27 -2.990 3.113 4.628 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.442 4.345 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.767 4.106 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.195 3.787 1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.175 6.287 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.139 6.240 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.316 5.320 0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.147 6.052 1.651 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.710 7.453 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.232 7.626 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.468 9.375 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.018 9.699 -0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.784 10.543 0.738 1.00 0.00 H new ATOM 306 N VAL A 28 -5.785 2.099 2.112 1.00 0.00 N ATOM 307 CA VAL A 28 -6.254 0.761 1.771 1.00 0.00 C ATOM 308 C VAL A 28 -6.087 0.484 0.282 1.00 0.00 C ATOM 309 O VAL A 28 -6.507 1.279 -0.560 1.00 0.00 O ATOM 310 CB VAL A 28 -7.733 0.570 2.156 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.213 -0.817 1.758 1.00 0.00 C ATOM 312 CG2 VAL A 28 -7.931 0.805 3.646 1.00 0.00 C ATOM 0 H VAL A 28 -6.145 2.839 1.509 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.645 0.057 2.339 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.329 1.304 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.260 -0.934 2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.109 -0.943 0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.614 -1.570 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.982 0.666 3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.324 0.096 4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.629 1.822 3.897 1.00 0.00 H new ATOM 322 N PHE A 29 -5.472 -0.650 -0.038 1.00 0.00 N ATOM 323 CA PHE A 29 -5.249 -1.033 -1.428 1.00 0.00 C ATOM 324 C PHE A 29 -5.599 -2.501 -1.650 1.00 0.00 C ATOM 325 O PHE A 29 -5.468 -3.326 -0.745 1.00 0.00 O ATOM 326 CB PHE A 29 -3.793 -0.779 -1.822 1.00 0.00 C ATOM 327 CG PHE A 29 -3.303 0.592 -1.453 1.00 0.00 C ATOM 328 CD1 PHE A 29 -2.988 0.900 -0.139 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.155 1.573 -2.421 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.538 2.161 0.203 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.705 2.836 -2.085 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.395 3.130 -0.771 1.00 0.00 C ATOM 0 H PHE A 29 -5.119 -1.320 0.646 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.899 -0.424 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.159 -1.524 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.687 -0.917 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.095 0.146 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.394 1.348 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.298 2.389 1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.596 3.592 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.042 4.116 -0.506 1.00 0.00 H new ATOM 342 N HIS A 30 -6.047 -2.820 -2.860 1.00 0.00 N ATOM 343 CA HIS A 30 -6.416 -4.189 -3.203 1.00 0.00 C ATOM 344 C HIS A 30 -5.179 -5.076 -3.309 1.00 0.00 C ATOM 345 O HIS A 30 -4.149 -4.661 -3.841 1.00 0.00 O ATOM 346 CB HIS A 30 -7.192 -4.216 -4.520 1.00 0.00 C ATOM 347 CG HIS A 30 -8.571 -3.642 -4.415 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.037 -2.647 -5.248 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.587 -3.929 -3.569 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.280 -2.346 -4.918 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.638 -3.110 -3.902 1.00 0.00 N ATOM 0 H HIS A 30 -6.163 -2.149 -3.620 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.052 -4.577 -2.407 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.633 -3.661 -5.273 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.262 -5.246 -4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.574 -4.665 -2.779 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.898 -1.602 -5.397 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.547 -3.094 -3.440 1.00 0.00 H new ATOM 359 N VAL A 31 -5.286 -6.298 -2.798 1.00 0.00 N ATOM 360 CA VAL A 31 -4.177 -7.243 -2.836 1.00 0.00 C ATOM 361 C VAL A 31 -3.425 -7.155 -4.159 1.00 0.00 C ATOM 362 O VAL A 31 -2.213 -7.362 -4.212 1.00 0.00 O ATOM 363 CB VAL A 31 -4.664 -8.689 -2.629 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.249 -8.862 -1.236 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.683 -9.065 -3.694 1.00 0.00 C ATOM 0 H VAL A 31 -6.130 -6.657 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.505 -6.975 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.809 -9.359 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.588 -9.890 -1.109 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.487 -8.636 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.093 -8.184 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.017 -10.090 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.538 -8.391 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.226 -8.983 -4.680 1.00 0.00 H new ATOM 375 N GLY A 32 -4.153 -6.847 -5.228 1.00 0.00 N ATOM 376 CA GLY A 32 -3.539 -6.737 -6.538 1.00 0.00 C ATOM 377 C GLY A 32 -2.934 -5.368 -6.782 1.00 0.00 C ATOM 378 O GLY A 32 -1.777 -5.255 -7.185 1.00 0.00 O ATOM 0 H GLY A 32 -5.158 -6.672 -5.210 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.763 -7.496 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.286 -6.942 -7.304 1.00 0.00 H new ATOM 382 N CYS A 33 -3.720 -4.325 -6.538 1.00 0.00 N ATOM 383 CA CYS A 33 -3.258 -2.956 -6.736 1.00 0.00 C ATOM 384 C CYS A 33 -1.963 -2.704 -5.969 1.00 0.00 C ATOM 385 O CYS A 33 -0.972 -2.243 -6.536 1.00 0.00 O ATOM 386 CB CYS A 33 -4.332 -1.963 -6.286 1.00 0.00 C ATOM 387 SG CYS A 33 -5.764 -1.859 -7.407 1.00 0.00 S ATOM 0 H CYS A 33 -4.680 -4.401 -6.203 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.064 -2.814 -7.799 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.681 -2.247 -5.293 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.882 -0.974 -6.195 1.00 0.00 H new ATOM 392 N PHE A 34 -1.979 -3.008 -4.675 1.00 0.00 N ATOM 393 CA PHE A 34 -0.807 -2.814 -3.830 1.00 0.00 C ATOM 394 C PHE A 34 0.407 -3.534 -4.409 1.00 0.00 C ATOM 395 O PHE A 34 0.511 -4.758 -4.336 1.00 0.00 O ATOM 396 CB PHE A 34 -1.085 -3.319 -2.412 1.00 0.00 C ATOM 397 CG PHE A 34 -0.088 -2.837 -1.398 1.00 0.00 C ATOM 398 CD1 PHE A 34 0.078 -1.482 -1.159 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.684 -3.739 -0.683 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.994 -1.035 -0.226 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.602 -3.298 0.252 1.00 0.00 C ATOM 402 CZ PHE A 34 1.758 -1.944 0.479 1.00 0.00 C ATOM 0 H PHE A 34 -2.791 -3.390 -4.189 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.590 -1.746 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.082 -2.999 -2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.088 -4.409 -2.417 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.516 -0.767 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.567 -4.798 -0.858 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.112 0.024 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.196 -4.011 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.477 -1.597 1.207 1.00 0.00 H new ATOM 412 N VAL A 35 1.324 -2.764 -4.987 1.00 0.00 N ATOM 413 CA VAL A 35 2.532 -3.326 -5.579 1.00 0.00 C ATOM 414 C VAL A 35 3.669 -2.310 -5.579 1.00 0.00 C ATOM 415 O VAL A 35 3.473 -1.143 -5.239 1.00 0.00 O ATOM 416 CB VAL A 35 2.281 -3.800 -7.023 1.00 0.00 C ATOM 417 CG1 VAL A 35 1.117 -4.778 -7.069 1.00 0.00 C ATOM 418 CG2 VAL A 35 2.025 -2.611 -7.936 1.00 0.00 C ATOM 0 H VAL A 35 1.253 -1.749 -5.058 1.00 0.00 H new ATOM 0 HA VAL A 35 2.815 -4.183 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 35 3.173 -4.317 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.954 -5.102 -8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.345 -5.644 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.217 -4.290 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.850 -2.964 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.149 -2.065 -7.585 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.892 -1.951 -7.926 1.00 0.00 H new ATOM 428 N CYS A 36 4.858 -2.761 -5.965 1.00 0.00 N ATOM 429 CA CYS A 36 6.028 -1.892 -6.010 1.00 0.00 C ATOM 430 C CYS A 36 5.817 -0.748 -6.998 1.00 0.00 C ATOM 431 O CYS A 36 4.869 -0.758 -7.782 1.00 0.00 O ATOM 432 CB CYS A 36 7.270 -2.695 -6.400 1.00 0.00 C ATOM 433 SG CYS A 36 8.843 -1.833 -6.080 1.00 0.00 S ATOM 0 H CYS A 36 5.037 -3.724 -6.251 1.00 0.00 H new ATOM 0 HA CYS A 36 6.175 -1.469 -5.016 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.267 -3.638 -5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.212 -2.942 -7.460 1.00 0.00 H new ATOM 438 N SER A 37 6.709 0.237 -6.953 1.00 0.00 N ATOM 439 CA SER A 37 6.620 1.390 -7.841 1.00 0.00 C ATOM 440 C SER A 37 7.629 1.278 -8.980 1.00 0.00 C ATOM 441 O SER A 37 7.461 1.889 -10.036 1.00 0.00 O ATOM 442 CB SER A 37 6.858 2.683 -7.058 1.00 0.00 C ATOM 443 OG SER A 37 7.004 3.789 -7.932 1.00 0.00 O ATOM 0 H SER A 37 7.501 0.259 -6.311 1.00 0.00 H new ATOM 0 HA SER A 37 5.618 1.412 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.024 2.860 -6.379 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.753 2.580 -6.444 1.00 0.00 H new ATOM 0 HG SER A 37 7.744 4.353 -7.625 1.00 0.00 H new ATOM 449 N THR A 38 8.678 0.493 -8.757 1.00 0.00 N ATOM 450 CA THR A 38 9.715 0.301 -9.763 1.00 0.00 C ATOM 451 C THR A 38 9.477 -0.975 -10.562 1.00 0.00 C ATOM 452 O THR A 38 9.326 -0.936 -11.783 1.00 0.00 O ATOM 453 CB THR A 38 11.114 0.237 -9.121 1.00 0.00 C ATOM 454 OG1 THR A 38 11.428 1.492 -8.506 1.00 0.00 O ATOM 455 CG2 THR A 38 12.172 -0.101 -10.162 1.00 0.00 C ATOM 0 H THR A 38 8.832 -0.020 -7.889 1.00 0.00 H new ATOM 0 HA THR A 38 9.669 1.160 -10.433 1.00 0.00 H new ATOM 0 HB THR A 38 11.107 -0.547 -8.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.054 1.515 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 38 13.152 -0.141 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.946 -1.069 -10.609 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.177 0.665 -10.938 1.00 0.00 H new ATOM 463 N CYS A 39 9.444 -2.106 -9.866 1.00 0.00 N ATOM 464 CA CYS A 39 9.223 -3.396 -10.510 1.00 0.00 C ATOM 465 C CYS A 39 7.739 -3.749 -10.526 1.00 0.00 C ATOM 466 O CYS A 39 7.318 -4.673 -11.222 1.00 0.00 O ATOM 467 CB CYS A 39 10.012 -4.491 -9.789 1.00 0.00 C ATOM 468 SG CYS A 39 9.247 -5.059 -8.237 1.00 0.00 S ATOM 0 H CYS A 39 9.568 -2.156 -8.855 1.00 0.00 H new ATOM 0 HA CYS A 39 9.572 -3.324 -11.540 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.125 -5.343 -10.459 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.014 -4.120 -9.573 1.00 0.00 H new ATOM 473 N ARG A 40 6.951 -3.007 -9.754 1.00 0.00 N ATOM 474 CA ARG A 40 5.514 -3.242 -9.678 1.00 0.00 C ATOM 475 C ARG A 40 5.220 -4.695 -9.316 1.00 0.00 C ATOM 476 O ARG A 40 4.329 -5.320 -9.891 1.00 0.00 O ATOM 477 CB ARG A 40 4.848 -2.892 -11.010 1.00 0.00 C ATOM 478 CG ARG A 40 5.263 -1.538 -11.561 1.00 0.00 C ATOM 479 CD ARG A 40 4.474 -0.409 -10.917 1.00 0.00 C ATOM 480 NE ARG A 40 3.218 -0.149 -11.617 1.00 0.00 N ATOM 481 CZ ARG A 40 2.579 1.014 -11.573 1.00 0.00 C ATOM 482 NH1 ARG A 40 3.074 2.020 -10.865 1.00 0.00 N ATOM 483 NH2 ARG A 40 1.441 1.173 -12.237 1.00 0.00 N ATOM 0 H ARG A 40 7.284 -2.238 -9.172 1.00 0.00 H new ATOM 0 HA ARG A 40 5.106 -2.601 -8.896 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.091 -3.663 -11.742 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.766 -2.906 -10.880 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.328 -1.384 -11.387 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.110 -1.521 -12.640 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.264 -0.661 -9.877 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.079 0.498 -10.910 1.00 0.00 H new ATOM 0 HE ARG A 40 2.810 -0.903 -12.170 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.948 1.901 -10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.581 2.912 -10.833 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.056 0.401 -12.782 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.951 2.067 -12.202 1.00 0.00 H new ATOM 497 N ALA A 41 5.974 -5.225 -8.359 1.00 0.00 N ATOM 498 CA ALA A 41 5.793 -6.603 -7.920 1.00 0.00 C ATOM 499 C ALA A 41 4.715 -6.699 -6.845 1.00 0.00 C ATOM 500 O ALA A 41 4.462 -5.737 -6.120 1.00 0.00 O ATOM 501 CB ALA A 41 7.107 -7.170 -7.404 1.00 0.00 C ATOM 0 H ALA A 41 6.716 -4.721 -7.873 1.00 0.00 H new ATOM 0 HA ALA A 41 5.468 -7.192 -8.778 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.957 -8.200 -7.080 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.851 -7.145 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.456 -6.572 -6.562 1.00 0.00 H new ATOM 507 N GLN A 42 4.084 -7.865 -6.749 1.00 0.00 N ATOM 508 CA GLN A 42 3.032 -8.084 -5.763 1.00 0.00 C ATOM 509 C GLN A 42 3.577 -7.946 -4.346 1.00 0.00 C ATOM 510 O GLN A 42 4.441 -8.716 -3.923 1.00 0.00 O ATOM 511 CB GLN A 42 2.410 -9.469 -5.950 1.00 0.00 C ATOM 512 CG GLN A 42 1.251 -9.488 -6.933 1.00 0.00 C ATOM 513 CD GLN A 42 0.243 -10.578 -6.627 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.612 -11.714 -6.327 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.039 -10.238 -6.701 1.00 0.00 N ATOM 0 H GLN A 42 4.283 -8.672 -7.341 1.00 0.00 H new ATOM 0 HA GLN A 42 2.264 -7.325 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.179 -10.160 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.062 -9.835 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.750 -8.520 -6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.638 -9.629 -7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.300 -9.285 -6.953 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.762 -10.930 -6.505 1.00 0.00 H new ATOM 524 N LEU A 43 3.068 -6.960 -3.615 1.00 0.00 N ATOM 525 CA LEU A 43 3.504 -6.720 -2.244 1.00 0.00 C ATOM 526 C LEU A 43 2.406 -7.090 -1.251 1.00 0.00 C ATOM 527 O LEU A 43 2.436 -6.671 -0.094 1.00 0.00 O ATOM 528 CB LEU A 43 3.898 -5.254 -2.062 1.00 0.00 C ATOM 529 CG LEU A 43 4.911 -4.702 -3.066 1.00 0.00 C ATOM 530 CD1 LEU A 43 5.113 -3.209 -2.856 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.236 -5.443 -2.949 1.00 0.00 C ATOM 0 H LEU A 43 2.353 -6.314 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 43 4.372 -7.350 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.995 -4.646 -2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.306 -5.130 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 43 4.518 -4.856 -4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.837 -2.834 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.164 -2.691 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.483 -3.030 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.945 -5.037 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.634 -5.321 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.079 -6.503 -3.151 1.00 0.00 H new ATOM 543 N ARG A 44 1.441 -7.879 -1.711 1.00 0.00 N ATOM 544 CA ARG A 44 0.335 -8.306 -0.863 1.00 0.00 C ATOM 545 C ARG A 44 0.827 -8.653 0.540 1.00 0.00 C ATOM 546 O ARG A 44 0.347 -8.105 1.530 1.00 0.00 O ATOM 547 CB ARG A 44 -0.372 -9.514 -1.480 1.00 0.00 C ATOM 548 CG ARG A 44 -1.582 -9.983 -0.688 1.00 0.00 C ATOM 549 CD ARG A 44 -1.944 -11.421 -1.022 1.00 0.00 C ATOM 550 NE ARG A 44 -1.050 -12.376 -0.373 1.00 0.00 N ATOM 551 CZ ARG A 44 -1.398 -13.623 -0.076 1.00 0.00 C ATOM 552 NH1 ARG A 44 -2.613 -14.064 -0.369 1.00 0.00 N ATOM 553 NH2 ARG A 44 -0.528 -14.433 0.515 1.00 0.00 N ATOM 0 H ARG A 44 1.403 -8.235 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.371 -7.479 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.687 -9.262 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.338 -10.337 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.375 -9.897 0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.431 -9.334 -0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.970 -11.617 -0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.904 -11.563 -2.102 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.107 -12.069 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.284 -13.445 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.877 -15.022 -0.140 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.408 -14.098 0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.796 -15.390 0.743 1.00 0.00 H new ATOM 567 N GLY A 45 1.788 -9.569 0.614 1.00 0.00 N ATOM 568 CA GLY A 45 2.329 -9.974 1.899 1.00 0.00 C ATOM 569 C GLY A 45 3.827 -10.202 1.851 1.00 0.00 C ATOM 570 O GLY A 45 4.283 -11.309 1.567 1.00 0.00 O ATOM 0 H GLY A 45 2.201 -10.038 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.105 -9.209 2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.835 -10.889 2.225 1.00 0.00 H new ATOM 574 N GLN A 46 4.593 -9.152 2.128 1.00 0.00 N ATOM 575 CA GLN A 46 6.048 -9.243 2.113 1.00 0.00 C ATOM 576 C GLN A 46 6.678 -8.006 2.744 1.00 0.00 C ATOM 577 O GLN A 46 5.978 -7.070 3.133 1.00 0.00 O ATOM 578 CB GLN A 46 6.555 -9.414 0.680 1.00 0.00 C ATOM 579 CG GLN A 46 6.170 -8.268 -0.241 1.00 0.00 C ATOM 580 CD GLN A 46 7.029 -8.210 -1.490 1.00 0.00 C ATOM 581 OE1 GLN A 46 8.036 -7.502 -1.532 1.00 0.00 O ATOM 582 NE2 GLN A 46 6.635 -8.955 -2.515 1.00 0.00 N ATOM 0 H GLN A 46 4.230 -8.229 2.365 1.00 0.00 H new ATOM 0 HA GLN A 46 6.338 -10.115 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.641 -9.507 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.161 -10.345 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.124 -8.373 -0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.258 -7.326 0.300 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.794 -9.527 -2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.173 -8.956 -3.381 1.00 0.00 H new ATOM 591 N HIS A 47 8.003 -8.007 2.843 1.00 0.00 N ATOM 592 CA HIS A 47 8.728 -6.884 3.427 1.00 0.00 C ATOM 593 C HIS A 47 8.981 -5.800 2.384 1.00 0.00 C ATOM 594 O HIS A 47 9.730 -6.006 1.429 1.00 0.00 O ATOM 595 CB HIS A 47 10.055 -7.358 4.019 1.00 0.00 C ATOM 596 CG HIS A 47 9.954 -7.782 5.452 1.00 0.00 C ATOM 597 ND1 HIS A 47 9.947 -9.103 5.848 1.00 0.00 N ATOM 598 CD2 HIS A 47 9.858 -7.051 6.587 1.00 0.00 C ATOM 599 CE1 HIS A 47 9.849 -9.166 7.163 1.00 0.00 C ATOM 600 NE2 HIS A 47 9.793 -7.934 7.636 1.00 0.00 N ATOM 0 H HIS A 47 8.597 -8.773 2.526 1.00 0.00 H new ATOM 0 HA HIS A 47 8.114 -6.462 4.223 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.430 -8.193 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.787 -6.555 3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.837 -5.973 6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.820 -10.071 7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.714 -7.680 8.621 1.00 0.00 H new ATOM 609 N PHE A 48 8.351 -4.645 2.572 1.00 0.00 N ATOM 610 CA PHE A 48 8.507 -3.529 1.647 1.00 0.00 C ATOM 611 C PHE A 48 8.915 -2.260 2.389 1.00 0.00 C ATOM 612 O PHE A 48 9.000 -2.246 3.617 1.00 0.00 O ATOM 613 CB PHE A 48 7.204 -3.289 0.881 1.00 0.00 C ATOM 614 CG PHE A 48 5.983 -3.305 1.755 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.331 -4.494 2.035 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.487 -2.130 2.297 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.207 -4.513 2.840 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.364 -2.142 3.102 1.00 0.00 C ATOM 619 CZ PHE A 48 3.723 -3.334 3.373 1.00 0.00 C ATOM 0 H PHE A 48 7.727 -4.458 3.357 1.00 0.00 H new ATOM 0 HA PHE A 48 9.296 -3.784 0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.263 -2.327 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.099 -4.052 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.705 -5.418 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.984 -1.194 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.709 -5.447 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.988 -1.219 3.519 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.844 -3.345 4.001 1.00 0.00 H new ATOM 629 N TYR A 49 9.169 -1.197 1.634 1.00 0.00 N ATOM 630 CA TYR A 49 9.572 0.077 2.219 1.00 0.00 C ATOM 631 C TYR A 49 8.628 1.196 1.790 1.00 0.00 C ATOM 632 O TYR A 49 7.902 1.067 0.805 1.00 0.00 O ATOM 633 CB TYR A 49 11.006 0.418 1.811 1.00 0.00 C ATOM 634 CG TYR A 49 12.055 -0.318 2.612 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.254 -1.683 2.444 1.00 0.00 C ATOM 636 CD2 TYR A 49 12.847 0.351 3.537 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.212 -2.360 3.175 1.00 0.00 C ATOM 638 CE2 TYR A 49 13.808 -0.318 4.271 1.00 0.00 C ATOM 639 CZ TYR A 49 13.986 -1.673 4.086 1.00 0.00 C ATOM 640 OH TYR A 49 14.941 -2.343 4.816 1.00 0.00 O ATOM 0 H TYR A 49 9.103 -1.192 0.616 1.00 0.00 H new ATOM 0 HA TYR A 49 9.523 -0.018 3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.139 0.186 0.754 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.161 1.491 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.650 -2.224 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.709 1.412 3.685 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.353 -3.421 3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.416 0.217 4.985 1.00 0.00 H new ATOM 0 HH TYR A 49 15.399 -1.714 5.411 1.00 0.00 H new ATOM 650 N ALA A 50 8.646 2.295 2.536 1.00 0.00 N ATOM 651 CA ALA A 50 7.796 3.439 2.233 1.00 0.00 C ATOM 652 C ALA A 50 8.623 4.707 2.054 1.00 0.00 C ATOM 653 O ALA A 50 9.213 5.215 3.008 1.00 0.00 O ATOM 654 CB ALA A 50 6.760 3.633 3.331 1.00 0.00 C ATOM 0 H ALA A 50 9.241 2.417 3.356 1.00 0.00 H new ATOM 0 HA ALA A 50 7.281 3.238 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.132 4.491 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.140 2.740 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.265 3.807 4.281 1.00 0.00 H new ATOM 660 N VAL A 51 8.664 5.214 0.826 1.00 0.00 N ATOM 661 CA VAL A 51 9.420 6.424 0.522 1.00 0.00 C ATOM 662 C VAL A 51 8.648 7.329 -0.431 1.00 0.00 C ATOM 663 O VAL A 51 8.283 6.920 -1.532 1.00 0.00 O ATOM 664 CB VAL A 51 10.788 6.089 -0.100 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.558 7.362 -0.414 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.588 5.186 0.827 1.00 0.00 C ATOM 0 H VAL A 51 8.182 4.806 0.025 1.00 0.00 H new ATOM 0 HA VAL A 51 9.577 6.945 1.466 1.00 0.00 H new ATOM 0 HB VAL A 51 10.621 5.554 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.522 7.105 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.988 7.967 -1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.716 7.927 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.552 4.959 0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.747 5.691 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.039 4.259 0.995 1.00 0.00 H new ATOM 676 N GLU A 52 8.403 8.562 0.002 1.00 0.00 N ATOM 677 CA GLU A 52 7.673 9.526 -0.814 1.00 0.00 C ATOM 678 C GLU A 52 6.252 9.043 -1.085 1.00 0.00 C ATOM 679 O GLU A 52 5.721 9.228 -2.181 1.00 0.00 O ATOM 680 CB GLU A 52 8.404 9.765 -2.137 1.00 0.00 C ATOM 681 CG GLU A 52 9.567 10.736 -2.023 1.00 0.00 C ATOM 682 CD GLU A 52 10.036 11.244 -3.373 1.00 0.00 C ATOM 683 OE1 GLU A 52 10.556 10.430 -4.165 1.00 0.00 O ATOM 684 OE2 GLU A 52 9.885 12.455 -3.636 1.00 0.00 O ATOM 0 H GLU A 52 8.699 8.917 0.912 1.00 0.00 H new ATOM 0 HA GLU A 52 7.620 10.465 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.773 8.812 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.694 10.146 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.270 11.582 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.397 10.245 -1.515 1.00 0.00 H new ATOM 691 N ARG A 53 5.641 8.424 -0.080 1.00 0.00 N ATOM 692 CA ARG A 53 4.282 7.913 -0.211 1.00 0.00 C ATOM 693 C ARG A 53 4.207 6.838 -1.291 1.00 0.00 C ATOM 694 O ARG A 53 3.235 6.767 -2.043 1.00 0.00 O ATOM 695 CB ARG A 53 3.316 9.052 -0.541 1.00 0.00 C ATOM 696 CG ARG A 53 3.079 10.006 0.618 1.00 0.00 C ATOM 697 CD ARG A 53 1.778 10.775 0.451 1.00 0.00 C ATOM 698 NE ARG A 53 1.956 11.984 -0.349 1.00 0.00 N ATOM 699 CZ ARG A 53 2.327 13.153 0.159 1.00 0.00 C ATOM 700 NH1 ARG A 53 2.559 13.271 1.460 1.00 0.00 N ATOM 701 NH2 ARG A 53 2.468 14.208 -0.633 1.00 0.00 N ATOM 0 H ARG A 53 6.066 8.264 0.834 1.00 0.00 H new ATOM 0 HA ARG A 53 3.995 7.467 0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.707 9.614 -1.389 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.361 8.628 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.054 9.445 1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.911 10.707 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.036 10.133 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.387 11.044 1.432 1.00 0.00 H new ATOM 0 HE ARG A 53 1.786 11.927 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.452 12.462 2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.844 14.170 1.848 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.291 14.122 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.753 15.105 -0.241 1.00 0.00 H new ATOM 715 N ARG A 54 5.239 6.004 -1.361 1.00 0.00 N ATOM 716 CA ARG A 54 5.290 4.934 -2.350 1.00 0.00 C ATOM 717 C ARG A 54 5.654 3.605 -1.695 1.00 0.00 C ATOM 718 O ARG A 54 5.942 3.549 -0.500 1.00 0.00 O ATOM 719 CB ARG A 54 6.306 5.270 -3.444 1.00 0.00 C ATOM 720 CG ARG A 54 5.779 6.244 -4.485 1.00 0.00 C ATOM 721 CD ARG A 54 6.427 6.012 -5.842 1.00 0.00 C ATOM 722 NE ARG A 54 5.803 6.816 -6.890 1.00 0.00 N ATOM 723 CZ ARG A 54 4.603 6.558 -7.398 1.00 0.00 C ATOM 724 NH1 ARG A 54 3.901 5.524 -6.957 1.00 0.00 N ATOM 725 NH2 ARG A 54 4.103 7.336 -8.350 1.00 0.00 N ATOM 0 H ARG A 54 6.051 6.048 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 54 4.301 4.840 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.198 5.692 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.610 4.349 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.698 6.135 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.971 7.266 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.488 6.253 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.354 4.956 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 54 6.317 7.620 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.282 4.924 -6.226 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.980 5.328 -7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.640 8.133 -8.692 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.182 7.137 -8.740 1.00 0.00 H new ATOM 739 N ALA A 55 5.637 2.536 -2.486 1.00 0.00 N ATOM 740 CA ALA A 55 5.966 1.208 -1.983 1.00 0.00 C ATOM 741 C ALA A 55 7.096 0.580 -2.791 1.00 0.00 C ATOM 742 O ALA A 55 6.962 0.357 -3.994 1.00 0.00 O ATOM 743 CB ALA A 55 4.735 0.314 -2.009 1.00 0.00 C ATOM 0 H ALA A 55 5.399 2.564 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 55 6.305 1.310 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.995 -0.675 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.956 0.749 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.370 0.226 -3.032 1.00 0.00 H new ATOM 749 N TYR A 56 8.209 0.298 -2.123 1.00 0.00 N ATOM 750 CA TYR A 56 9.364 -0.302 -2.780 1.00 0.00 C ATOM 751 C TYR A 56 9.765 -1.605 -2.095 1.00 0.00 C ATOM 752 O TYR A 56 10.090 -1.622 -0.907 1.00 0.00 O ATOM 753 CB TYR A 56 10.543 0.672 -2.776 1.00 0.00 C ATOM 754 CG TYR A 56 10.290 1.932 -3.573 1.00 0.00 C ATOM 755 CD1 TYR A 56 9.730 3.055 -2.976 1.00 0.00 C ATOM 756 CD2 TYR A 56 10.610 1.999 -4.923 1.00 0.00 C ATOM 757 CE1 TYR A 56 9.496 4.208 -3.700 1.00 0.00 C ATOM 758 CE2 TYR A 56 10.381 3.148 -5.655 1.00 0.00 C ATOM 759 CZ TYR A 56 9.824 4.250 -5.039 1.00 0.00 C ATOM 760 OH TYR A 56 9.593 5.396 -5.765 1.00 0.00 O ATOM 0 H TYR A 56 8.336 0.475 -1.127 1.00 0.00 H new ATOM 0 HA TYR A 56 9.088 -0.524 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.775 0.944 -1.746 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.421 0.168 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.473 3.026 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.045 1.138 -5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.059 5.071 -3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.637 3.184 -6.704 1.00 0.00 H new ATOM 0 HH TYR A 56 9.881 5.260 -6.692 1.00 0.00 H new ATOM 770 N CYS A 57 9.739 -2.696 -2.853 1.00 0.00 N ATOM 771 CA CYS A 57 10.099 -4.006 -2.322 1.00 0.00 C ATOM 772 C CYS A 57 11.552 -4.023 -1.856 1.00 0.00 C ATOM 773 O CYS A 57 12.417 -3.394 -2.466 1.00 0.00 O ATOM 774 CB CYS A 57 9.879 -5.087 -3.382 1.00 0.00 C ATOM 775 SG CYS A 57 10.874 -4.863 -4.891 1.00 0.00 S ATOM 0 H CYS A 57 9.472 -2.699 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 57 9.458 -4.212 -1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.111 -6.059 -2.948 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.824 -5.104 -3.655 1.00 0.00 H new ATOM 780 N GLU A 58 11.812 -4.747 -0.772 1.00 0.00 N ATOM 781 CA GLU A 58 13.160 -4.846 -0.225 1.00 0.00 C ATOM 782 C GLU A 58 14.202 -4.829 -1.339 1.00 0.00 C ATOM 783 O GLU A 58 15.107 -3.995 -1.345 1.00 0.00 O ATOM 784 CB GLU A 58 13.305 -6.123 0.605 1.00 0.00 C ATOM 785 CG GLU A 58 14.724 -6.378 1.086 1.00 0.00 C ATOM 786 CD GLU A 58 14.869 -7.711 1.794 1.00 0.00 C ATOM 787 OE1 GLU A 58 13.916 -8.120 2.490 1.00 0.00 O ATOM 788 OE2 GLU A 58 15.935 -8.346 1.651 1.00 0.00 O ATOM 0 H GLU A 58 11.107 -5.273 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 58 13.328 -3.982 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.643 -6.062 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.974 -6.973 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.403 -6.347 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.024 -5.577 1.762 1.00 0.00 H new ATOM 795 N GLY A 59 14.067 -5.756 -2.282 1.00 0.00 N ATOM 796 CA GLY A 59 15.004 -5.832 -3.388 1.00 0.00 C ATOM 797 C GLY A 59 15.235 -4.485 -4.045 1.00 0.00 C ATOM 798 O GLY A 59 16.364 -3.995 -4.094 1.00 0.00 O ATOM 0 H GLY A 59 13.325 -6.456 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.955 -6.225 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.628 -6.536 -4.131 1.00 0.00 H new ATOM 802 N CYS A 60 14.164 -3.885 -4.553 1.00 0.00 N ATOM 803 CA CYS A 60 14.254 -2.588 -5.212 1.00 0.00 C ATOM 804 C CYS A 60 14.884 -1.550 -4.287 1.00 0.00 C ATOM 805 O CYS A 60 15.933 -0.984 -4.595 1.00 0.00 O ATOM 806 CB CYS A 60 12.867 -2.118 -5.654 1.00 0.00 C ATOM 807 SG CYS A 60 12.352 -2.749 -7.284 1.00 0.00 S ATOM 0 H CYS A 60 13.223 -4.277 -4.521 1.00 0.00 H new ATOM 0 HA CYS A 60 14.889 -2.699 -6.091 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.135 -2.429 -4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.855 -1.028 -5.678 1.00 0.00 H new ATOM 812 N TYR A 61 14.236 -1.306 -3.153 1.00 0.00 N ATOM 813 CA TYR A 61 14.730 -0.336 -2.184 1.00 0.00 C ATOM 814 C TYR A 61 16.250 -0.403 -2.072 1.00 0.00 C ATOM 815 O TYR A 61 16.922 0.622 -1.955 1.00 0.00 O ATOM 816 CB TYR A 61 14.095 -0.583 -0.815 1.00 0.00 C ATOM 817 CG TYR A 61 14.624 0.327 0.271 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.076 1.587 0.476 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.673 -0.073 1.091 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.557 2.423 1.466 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.158 0.755 2.084 1.00 0.00 C ATOM 822 CZ TYR A 61 15.597 2.002 2.268 1.00 0.00 C ATOM 823 OH TYR A 61 16.079 2.830 3.256 1.00 0.00 O ATOM 0 H TYR A 61 13.367 -1.767 -2.883 1.00 0.00 H new ATOM 0 HA TYR A 61 14.453 0.659 -2.531 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.016 -0.450 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.268 -1.619 -0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.260 1.919 -0.149 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.116 -1.048 0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.121 3.400 1.611 1.00 0.00 H new ATOM 0 HE2 TYR A 61 16.972 0.428 2.713 1.00 0.00 H new ATOM 0 HH TYR A 61 16.810 2.382 3.730 1.00 0.00 H new ATOM 833 N VAL A 62 16.786 -1.619 -2.110 1.00 0.00 N ATOM 834 CA VAL A 62 18.227 -1.822 -2.015 1.00 0.00 C ATOM 835 C VAL A 62 18.919 -1.475 -3.329 1.00 0.00 C ATOM 836 O VAL A 62 19.970 -0.835 -3.338 1.00 0.00 O ATOM 837 CB VAL A 62 18.565 -3.277 -1.639 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.071 -3.482 -1.597 1.00 0.00 C ATOM 839 CG2 VAL A 62 17.931 -3.643 -0.305 1.00 0.00 C ATOM 0 H VAL A 62 16.244 -2.478 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 62 18.589 -1.158 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 62 18.154 -3.936 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.290 -4.516 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.496 -3.263 -2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.508 -2.815 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.180 -4.674 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.310 -2.979 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.848 -3.538 -0.376 1.00 0.00 H new ATOM 849 N ALA A 63 18.322 -1.901 -4.436 1.00 0.00 N ATOM 850 CA ALA A 63 18.879 -1.633 -5.756 1.00 0.00 C ATOM 851 C ALA A 63 18.984 -0.134 -6.014 1.00 0.00 C ATOM 852 O ALA A 63 19.973 0.344 -6.572 1.00 0.00 O ATOM 853 CB ALA A 63 18.032 -2.297 -6.832 1.00 0.00 C ATOM 0 H ALA A 63 17.452 -2.434 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 63 19.884 -2.053 -5.790 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.460 -2.088 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.012 -3.374 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.016 -1.905 -6.789 1.00 0.00 H new ATOM 859 N THR A 64 17.958 0.606 -5.604 1.00 0.00 N ATOM 860 CA THR A 64 17.934 2.051 -5.792 1.00 0.00 C ATOM 861 C THR A 64 19.180 2.703 -5.202 1.00 0.00 C ATOM 862 O THR A 64 19.824 3.530 -5.847 1.00 0.00 O ATOM 863 CB THR A 64 16.685 2.681 -5.148 1.00 0.00 C ATOM 864 OG1 THR A 64 16.703 2.466 -3.732 1.00 0.00 O ATOM 865 CG2 THR A 64 15.414 2.089 -5.739 1.00 0.00 C ATOM 0 H THR A 64 17.133 0.228 -5.139 1.00 0.00 H new ATOM 0 HA THR A 64 17.908 2.229 -6.867 1.00 0.00 H new ATOM 0 HB THR A 64 16.698 3.751 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.868 1.518 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.545 2.549 -5.269 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.389 2.279 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.396 1.014 -5.560 1.00 0.00 H new ATOM 873 N LEU A 65 19.514 2.324 -3.974 1.00 0.00 N ATOM 874 CA LEU A 65 20.684 2.872 -3.296 1.00 0.00 C ATOM 875 C LEU A 65 21.933 2.722 -4.160 1.00 0.00 C ATOM 876 O LEU A 65 22.716 3.661 -4.302 1.00 0.00 O ATOM 877 CB LEU A 65 20.893 2.173 -1.952 1.00 0.00 C ATOM 878 CG LEU A 65 19.737 2.273 -0.956 1.00 0.00 C ATOM 879 CD1 LEU A 65 19.877 1.219 0.132 1.00 0.00 C ATOM 880 CD2 LEU A 65 19.677 3.666 -0.347 1.00 0.00 C ATOM 0 H LEU A 65 18.992 1.640 -3.427 1.00 0.00 H new ATOM 0 HA LEU A 65 20.509 3.934 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 65 21.093 1.118 -2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.786 2.588 -1.484 1.00 0.00 H new ATOM 0 HG LEU A 65 18.805 2.092 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 65 19.046 1.305 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.870 0.227 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 65 20.816 1.368 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.848 3.719 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 65 20.611 3.876 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.528 4.402 -1.137 1.00 0.00 H new ATOM 892 N GLU A 66 22.110 1.537 -4.735 1.00 0.00 N ATOM 893 CA GLU A 66 23.263 1.266 -5.586 1.00 0.00 C ATOM 894 C GLU A 66 23.377 2.309 -6.695 1.00 0.00 C ATOM 895 O GLU A 66 24.428 2.923 -6.877 1.00 0.00 O ATOM 896 CB GLU A 66 23.157 -0.133 -6.195 1.00 0.00 C ATOM 897 CG GLU A 66 23.101 -1.245 -5.161 1.00 0.00 C ATOM 898 CD GLU A 66 24.433 -1.466 -4.470 1.00 0.00 C ATOM 899 OE1 GLU A 66 25.428 -1.741 -5.171 1.00 0.00 O ATOM 900 OE2 GLU A 66 24.479 -1.362 -3.226 1.00 0.00 O ATOM 0 H GLU A 66 21.470 0.750 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 66 24.160 1.318 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.264 -0.182 -6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 66 24.012 -0.300 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 66 22.344 -1.004 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.789 -2.171 -5.645 1.00 0.00 H new ATOM 907 N SER A 67 22.289 2.501 -7.432 1.00 0.00 N ATOM 908 CA SER A 67 22.267 3.466 -8.526 1.00 0.00 C ATOM 909 C SER A 67 20.879 4.078 -8.684 1.00 0.00 C ATOM 910 O SER A 67 19.968 3.448 -9.219 1.00 0.00 O ATOM 911 CB SER A 67 22.693 2.795 -9.834 1.00 0.00 C ATOM 912 OG SER A 67 22.790 3.741 -10.884 1.00 0.00 O ATOM 0 H SER A 67 21.411 2.002 -7.292 1.00 0.00 H new ATOM 0 HA SER A 67 22.971 4.263 -8.288 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.654 2.300 -9.696 1.00 0.00 H new ATOM 0 HB3 SER A 67 21.972 2.022 -10.102 1.00 0.00 H new ATOM 0 HG SER A 67 23.065 3.288 -11.708 1.00 0.00 H new ATOM 918 N GLY A 68 20.726 5.312 -8.212 1.00 0.00 N ATOM 919 CA GLY A 68 19.446 5.990 -8.309 1.00 0.00 C ATOM 920 C GLY A 68 19.536 7.455 -7.931 1.00 0.00 C ATOM 921 O GLY A 68 20.472 8.159 -8.310 1.00 0.00 O ATOM 0 H GLY A 68 21.465 5.854 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.069 5.903 -9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 68 18.725 5.494 -7.659 1.00 0.00 H new ATOM 925 N PRO A 69 18.544 7.934 -7.167 1.00 0.00 N ATOM 926 CA PRO A 69 18.491 9.330 -6.722 1.00 0.00 C ATOM 927 C PRO A 69 19.570 9.651 -5.693 1.00 0.00 C ATOM 928 O PRO A 69 19.635 10.766 -5.175 1.00 0.00 O ATOM 929 CB PRO A 69 17.101 9.450 -6.093 1.00 0.00 C ATOM 930 CG PRO A 69 16.755 8.064 -5.670 1.00 0.00 C ATOM 931 CD PRO A 69 17.396 7.151 -6.679 1.00 0.00 C ATOM 0 HA PRO A 69 18.664 10.026 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 69 17.109 10.133 -5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 69 16.375 9.838 -6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 69 17.126 7.858 -4.666 1.00 0.00 H new ATOM 0 HG3 PRO A 69 15.675 7.922 -5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 69 17.714 6.212 -6.226 1.00 0.00 H new ATOM 0 HD3 PRO A 69 16.709 6.899 -7.487 1.00 0.00 H new ATOM 939 N SER A 70 20.415 8.667 -5.401 1.00 0.00 N ATOM 940 CA SER A 70 21.489 8.844 -4.432 1.00 0.00 C ATOM 941 C SER A 70 22.183 10.189 -4.629 1.00 0.00 C ATOM 942 O SER A 70 22.181 11.037 -3.737 1.00 0.00 O ATOM 943 CB SER A 70 22.508 7.709 -4.554 1.00 0.00 C ATOM 944 OG SER A 70 22.031 6.527 -3.934 1.00 0.00 O ATOM 0 H SER A 70 20.376 7.739 -5.822 1.00 0.00 H new ATOM 0 HA SER A 70 21.051 8.823 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 70 22.715 7.513 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 70 23.449 8.010 -4.094 1.00 0.00 H new ATOM 0 HG SER A 70 22.491 5.750 -4.315 1.00 0.00 H new ATOM 950 N SER A 71 22.776 10.375 -5.803 1.00 0.00 N ATOM 951 CA SER A 71 23.478 11.614 -6.118 1.00 0.00 C ATOM 952 C SER A 71 22.569 12.575 -6.878 1.00 0.00 C ATOM 953 O SER A 71 21.604 12.159 -7.518 1.00 0.00 O ATOM 954 CB SER A 71 24.732 11.319 -6.943 1.00 0.00 C ATOM 955 OG SER A 71 25.853 11.097 -6.105 1.00 0.00 O ATOM 0 H SER A 71 22.785 9.683 -6.553 1.00 0.00 H new ATOM 0 HA SER A 71 23.772 12.085 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.562 10.442 -7.568 1.00 0.00 H new ATOM 0 HB3 SER A 71 24.935 12.154 -7.613 1.00 0.00 H new ATOM 0 HG SER A 71 26.641 10.909 -6.656 1.00 0.00 H new ATOM 961 N GLY A 72 22.885 13.864 -6.802 1.00 0.00 N ATOM 962 CA GLY A 72 22.088 14.865 -7.487 1.00 0.00 C ATOM 963 C GLY A 72 21.041 15.488 -6.586 1.00 0.00 C ATOM 964 O GLY A 72 20.998 16.713 -6.475 1.00 0.00 O ATOM 0 H GLY A 72 23.679 14.233 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 72 22.744 15.646 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 72 21.598 14.409 -8.347 1.00 0.00 H new TER 968 GLY A 72 HETATM 969 ZN ZN A 201 -7.710 -1.427 -6.198 1.00 0.00 ZN HETATM 970 ZN ZN A 401 10.241 -3.580 -6.733 1.00 0.00 ZN