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 -150:sc= -0.0323 USER MOD Set 1.2: A 56 TYR OH : rot 30:sc= -0.17 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 20:sc= 0.789 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 39:sc= 0.607 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 46 GLN : amide:sc= -0.892 K(o=-0.89,f=-1.5) USER MOD Single : A 47 HIS : no HD1:sc= -0.282 K(o=-0.28,f=-1.4) 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 -35:sc= 1.24 USER MOD Single : A 67 SER OG : rot -4:sc= 1.2 USER MOD Single : A 70 SER OG : rot 124:sc= 0.488 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0356 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.135 14.051 10.456 1.00 0.00 N ATOM 2 CA GLY A 1 -21.773 12.690 10.105 1.00 0.00 C ATOM 3 C GLY A 1 -20.283 12.437 10.223 1.00 0.00 C ATOM 4 O GLY A 1 -19.696 12.631 11.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.163 14.173 10.359 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.855 14.242 11.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.647 14.715 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.309 11.996 10.753 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.094 12.484 9.084 1.00 0.00 H new ATOM 8 N SER A 2 -19.670 12.003 9.127 1.00 0.00 N ATOM 9 CA SER A 2 -18.240 11.718 9.113 1.00 0.00 C ATOM 10 C SER A 2 -17.686 11.782 7.693 1.00 0.00 C ATOM 11 O SER A 2 -18.334 11.343 6.742 1.00 0.00 O ATOM 12 CB SER A 2 -17.967 10.339 9.717 1.00 0.00 C ATOM 13 OG SER A 2 -18.018 10.383 11.132 1.00 0.00 O ATOM 0 H SER A 2 -20.141 11.841 8.237 1.00 0.00 H new ATOM 0 HA SER A 2 -17.738 12.476 9.714 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.701 9.624 9.346 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.987 9.985 9.396 1.00 0.00 H new ATOM 0 HG SER A 2 -18.513 11.179 11.417 1.00 0.00 H new ATOM 19 N SER A 3 -16.484 12.332 7.557 1.00 0.00 N ATOM 20 CA SER A 3 -15.844 12.458 6.253 1.00 0.00 C ATOM 21 C SER A 3 -14.808 11.357 6.048 1.00 0.00 C ATOM 22 O SER A 3 -13.822 11.273 6.779 1.00 0.00 O ATOM 23 CB SER A 3 -15.181 13.830 6.117 1.00 0.00 C ATOM 24 OG SER A 3 -14.529 13.959 4.865 1.00 0.00 O ATOM 0 H SER A 3 -15.934 12.698 8.334 1.00 0.00 H new ATOM 0 HA SER A 3 -16.613 12.357 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.932 14.613 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.460 13.971 6.922 1.00 0.00 H new ATOM 0 HG SER A 3 -14.115 14.845 4.802 1.00 0.00 H new ATOM 30 N GLY A 4 -15.039 10.513 5.047 1.00 0.00 N ATOM 31 CA GLY A 4 -14.118 9.428 4.762 1.00 0.00 C ATOM 32 C GLY A 4 -14.816 8.086 4.665 1.00 0.00 C ATOM 33 O GLY A 4 -15.566 7.702 5.563 1.00 0.00 O ATOM 0 H GLY A 4 -15.848 10.561 4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.599 9.633 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.360 9.384 5.544 1.00 0.00 H new ATOM 37 N SER A 5 -14.571 7.371 3.571 1.00 0.00 N ATOM 38 CA SER A 5 -15.185 6.067 3.357 1.00 0.00 C ATOM 39 C SER A 5 -14.134 5.024 2.990 1.00 0.00 C ATOM 40 O SER A 5 -13.120 5.342 2.367 1.00 0.00 O ATOM 41 CB SER A 5 -16.242 6.152 2.254 1.00 0.00 C ATOM 42 OG SER A 5 -17.494 6.561 2.778 1.00 0.00 O ATOM 0 H SER A 5 -13.951 7.674 2.819 1.00 0.00 H new ATOM 0 HA SER A 5 -15.664 5.762 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.917 6.856 1.488 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.346 5.181 1.770 1.00 0.00 H new ATOM 0 HG SER A 5 -18.152 6.609 2.053 1.00 0.00 H new ATOM 48 N SER A 6 -14.383 3.778 3.380 1.00 0.00 N ATOM 49 CA SER A 6 -13.456 2.689 3.095 1.00 0.00 C ATOM 50 C SER A 6 -13.385 2.414 1.596 1.00 0.00 C ATOM 51 O SER A 6 -14.307 1.846 1.013 1.00 0.00 O ATOM 52 CB SER A 6 -13.883 1.421 3.838 1.00 0.00 C ATOM 53 OG SER A 6 -15.209 1.053 3.498 1.00 0.00 O ATOM 0 H SER A 6 -15.218 3.498 3.894 1.00 0.00 H new ATOM 0 HA SER A 6 -12.466 2.988 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.202 0.606 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.812 1.584 4.913 1.00 0.00 H new ATOM 0 HG SER A 6 -15.358 1.214 2.543 1.00 0.00 H new ATOM 59 N GLY A 7 -12.281 2.822 0.978 1.00 0.00 N ATOM 60 CA GLY A 7 -12.108 2.611 -0.448 1.00 0.00 C ATOM 61 C GLY A 7 -10.727 2.091 -0.794 1.00 0.00 C ATOM 62 O GLY A 7 -9.973 1.676 0.087 1.00 0.00 O ATOM 0 H GLY A 7 -11.503 3.295 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.858 1.903 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.282 3.549 -0.975 1.00 0.00 H new ATOM 66 N CYS A 8 -10.394 2.111 -2.080 1.00 0.00 N ATOM 67 CA CYS A 8 -9.095 1.636 -2.542 1.00 0.00 C ATOM 68 C CYS A 8 -8.276 2.780 -3.131 1.00 0.00 C ATOM 69 O CYS A 8 -8.555 3.255 -4.231 1.00 0.00 O ATOM 70 CB CYS A 8 -9.274 0.532 -3.585 1.00 0.00 C ATOM 71 SG CYS A 8 -7.715 -0.054 -4.323 1.00 0.00 S ATOM 0 H CYS A 8 -11.006 2.451 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 8 -8.557 1.232 -1.684 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.784 -0.312 -3.121 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.924 0.899 -4.379 1.00 0.00 H new ATOM 76 N GLY A 9 -7.262 3.218 -2.390 1.00 0.00 N ATOM 77 CA GLY A 9 -6.418 4.303 -2.856 1.00 0.00 C ATOM 78 C GLY A 9 -5.820 4.027 -4.221 1.00 0.00 C ATOM 79 O GLY A 9 -5.561 4.951 -4.991 1.00 0.00 O ATOM 0 H GLY A 9 -7.010 2.841 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.003 5.222 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.615 4.469 -2.138 1.00 0.00 H new ATOM 83 N GLY A 10 -5.597 2.751 -4.521 1.00 0.00 N ATOM 84 CA GLY A 10 -5.025 2.379 -5.802 1.00 0.00 C ATOM 85 C GLY A 10 -5.964 2.659 -6.959 1.00 0.00 C ATOM 86 O GLY A 10 -5.755 3.601 -7.724 1.00 0.00 O ATOM 0 H GLY A 10 -5.802 1.968 -3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.094 2.925 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.774 1.318 -5.790 1.00 0.00 H new ATOM 90 N CYS A 11 -7.001 1.838 -7.090 1.00 0.00 N ATOM 91 CA CYS A 11 -7.974 1.999 -8.163 1.00 0.00 C ATOM 92 C CYS A 11 -9.127 2.897 -7.721 1.00 0.00 C ATOM 93 O CYS A 11 -9.518 3.819 -8.436 1.00 0.00 O ATOM 94 CB CYS A 11 -8.514 0.636 -8.600 1.00 0.00 C ATOM 95 SG CYS A 11 -9.377 -0.279 -7.282 1.00 0.00 S ATOM 0 H CYS A 11 -7.189 1.054 -6.465 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.471 2.471 -9.007 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.198 0.779 -9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.686 0.029 -8.966 1.00 0.00 H new ATOM 100 N GLY A 12 -9.666 2.620 -6.538 1.00 0.00 N ATOM 101 CA GLY A 12 -10.767 3.411 -6.021 1.00 0.00 C ATOM 102 C GLY A 12 -11.959 2.559 -5.631 1.00 0.00 C ATOM 103 O GLY A 12 -12.752 2.947 -4.774 1.00 0.00 O ATOM 0 H GLY A 12 -9.360 1.862 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.428 3.976 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.074 4.137 -6.774 1.00 0.00 H new ATOM 107 N GLU A 13 -12.086 1.396 -6.262 1.00 0.00 N ATOM 108 CA GLU A 13 -13.191 0.490 -5.977 1.00 0.00 C ATOM 109 C GLU A 13 -13.293 0.209 -4.481 1.00 0.00 C ATOM 110 O GLU A 13 -12.290 0.221 -3.767 1.00 0.00 O ATOM 111 CB GLU A 13 -13.014 -0.823 -6.743 1.00 0.00 C ATOM 112 CG GLU A 13 -12.884 -0.639 -8.245 1.00 0.00 C ATOM 113 CD GLU A 13 -12.915 -1.954 -9.000 1.00 0.00 C ATOM 114 OE1 GLU A 13 -13.721 -2.832 -8.627 1.00 0.00 O ATOM 115 OE2 GLU A 13 -12.132 -2.105 -9.961 1.00 0.00 O ATOM 0 H GLU A 13 -11.437 1.060 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.114 0.971 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.127 -1.334 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.866 -1.471 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.694 -0.001 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.950 -0.121 -8.464 1.00 0.00 H new ATOM 122 N ASP A 14 -14.510 -0.044 -4.013 1.00 0.00 N ATOM 123 CA ASP A 14 -14.744 -0.328 -2.602 1.00 0.00 C ATOM 124 C ASP A 14 -13.899 -1.512 -2.139 1.00 0.00 C ATOM 125 O ASP A 14 -13.870 -2.558 -2.788 1.00 0.00 O ATOM 126 CB ASP A 14 -16.225 -0.616 -2.356 1.00 0.00 C ATOM 127 CG ASP A 14 -17.118 0.525 -2.801 1.00 0.00 C ATOM 128 OD1 ASP A 14 -17.115 1.578 -2.129 1.00 0.00 O ATOM 129 OD2 ASP A 14 -17.821 0.366 -3.822 1.00 0.00 O ATOM 0 H ASP A 14 -15.351 -0.058 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 14 -14.453 0.551 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.509 -1.524 -2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.384 -0.805 -1.294 1.00 0.00 H new ATOM 134 N VAL A 15 -13.212 -1.338 -1.015 1.00 0.00 N ATOM 135 CA VAL A 15 -12.367 -2.392 -0.465 1.00 0.00 C ATOM 136 C VAL A 15 -13.108 -3.191 0.601 1.00 0.00 C ATOM 137 O VAL A 15 -13.263 -2.739 1.735 1.00 0.00 O ATOM 138 CB VAL A 15 -11.077 -1.814 0.146 1.00 0.00 C ATOM 139 CG1 VAL A 15 -10.230 -2.923 0.752 1.00 0.00 C ATOM 140 CG2 VAL A 15 -10.290 -1.043 -0.902 1.00 0.00 C ATOM 0 H VAL A 15 -13.224 -0.478 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 15 -12.105 -3.052 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.351 -1.122 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.323 -2.496 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.797 -3.427 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.963 -3.642 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.382 -0.642 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.025 -1.711 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.899 -0.223 -1.284 1.00 0.00 H new ATOM 150 N VAL A 16 -13.564 -4.383 0.229 1.00 0.00 N ATOM 151 CA VAL A 16 -14.288 -5.247 1.153 1.00 0.00 C ATOM 152 C VAL A 16 -13.327 -6.065 2.008 1.00 0.00 C ATOM 153 O VAL A 16 -12.110 -5.984 1.843 1.00 0.00 O ATOM 154 CB VAL A 16 -15.233 -6.205 0.403 1.00 0.00 C ATOM 155 CG1 VAL A 16 -16.289 -5.423 -0.363 1.00 0.00 C ATOM 156 CG2 VAL A 16 -14.443 -7.107 -0.532 1.00 0.00 C ATOM 0 H VAL A 16 -13.445 -4.772 -0.706 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.879 -4.596 1.797 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.741 -6.833 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -16.947 -6.117 -0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -16.874 -4.823 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.803 -4.768 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.126 -7.777 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.907 -6.497 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.729 -7.694 0.046 1.00 0.00 H new ATOM 166 N GLY A 17 -13.882 -6.853 2.924 1.00 0.00 N ATOM 167 CA GLY A 17 -13.059 -7.676 3.792 1.00 0.00 C ATOM 168 C GLY A 17 -12.700 -9.006 3.160 1.00 0.00 C ATOM 169 O GLY A 17 -12.558 -9.104 1.942 1.00 0.00 O ATOM 0 H GLY A 17 -14.886 -6.936 3.081 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.145 -7.136 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.588 -7.853 4.728 1.00 0.00 H new ATOM 173 N ASP A 18 -12.551 -10.032 3.991 1.00 0.00 N ATOM 174 CA ASP A 18 -12.205 -11.363 3.507 1.00 0.00 C ATOM 175 C ASP A 18 -10.877 -11.341 2.757 1.00 0.00 C ATOM 176 O ASP A 18 -10.714 -12.018 1.743 1.00 0.00 O ATOM 177 CB ASP A 18 -13.310 -11.901 2.597 1.00 0.00 C ATOM 178 CG ASP A 18 -13.064 -13.336 2.173 1.00 0.00 C ATOM 179 OD1 ASP A 18 -12.427 -14.081 2.945 1.00 0.00 O ATOM 180 OD2 ASP A 18 -13.507 -13.713 1.067 1.00 0.00 O ATOM 0 H ASP A 18 -12.664 -9.967 5.003 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.103 -12.021 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.267 -11.837 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.385 -11.271 1.711 1.00 0.00 H new ATOM 185 N GLY A 19 -9.930 -10.557 3.264 1.00 0.00 N ATOM 186 CA GLY A 19 -8.629 -10.460 2.629 1.00 0.00 C ATOM 187 C GLY A 19 -8.671 -9.665 1.339 1.00 0.00 C ATOM 188 O GLY A 19 -7.943 -9.964 0.393 1.00 0.00 O ATOM 0 H GLY A 19 -10.041 -9.988 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.926 -9.992 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.253 -11.462 2.422 1.00 0.00 H new ATOM 192 N ALA A 20 -9.527 -8.649 1.300 1.00 0.00 N ATOM 193 CA ALA A 20 -9.661 -7.808 0.117 1.00 0.00 C ATOM 194 C ALA A 20 -9.216 -6.378 0.406 1.00 0.00 C ATOM 195 O ALA A 20 -9.538 -5.455 -0.339 1.00 0.00 O ATOM 196 CB ALA A 20 -11.098 -7.824 -0.382 1.00 0.00 C ATOM 0 H ALA A 20 -10.138 -8.389 2.074 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.013 -8.212 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.183 -7.192 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.383 -8.845 -0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.759 -7.447 0.399 1.00 0.00 H new ATOM 202 N GLY A 21 -8.473 -6.204 1.495 1.00 0.00 N ATOM 203 CA GLY A 21 -7.997 -4.883 1.864 1.00 0.00 C ATOM 204 C GLY A 21 -6.666 -4.929 2.589 1.00 0.00 C ATOM 205 O GLY A 21 -6.496 -5.689 3.542 1.00 0.00 O ATOM 0 H GLY A 21 -8.192 -6.953 2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.898 -4.272 0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -8.737 -4.398 2.500 1.00 0.00 H new ATOM 209 N VAL A 22 -5.719 -4.114 2.136 1.00 0.00 N ATOM 210 CA VAL A 22 -4.396 -4.064 2.747 1.00 0.00 C ATOM 211 C VAL A 22 -4.067 -2.656 3.231 1.00 0.00 C ATOM 212 O VAL A 22 -3.773 -1.767 2.432 1.00 0.00 O ATOM 213 CB VAL A 22 -3.305 -4.525 1.763 1.00 0.00 C ATOM 214 CG1 VAL A 22 -1.924 -4.345 2.373 1.00 0.00 C ATOM 215 CG2 VAL A 22 -3.533 -5.974 1.357 1.00 0.00 C ATOM 0 H VAL A 22 -5.843 -3.479 1.348 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.416 -4.743 3.600 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.363 -3.906 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.166 -4.676 1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.765 -3.293 2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.849 -4.937 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.753 -6.284 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.503 -6.609 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.507 -6.068 0.876 1.00 0.00 H new ATOM 225 N VAL A 23 -4.117 -2.461 4.545 1.00 0.00 N ATOM 226 CA VAL A 23 -3.823 -1.161 5.136 1.00 0.00 C ATOM 227 C VAL A 23 -2.325 -0.876 5.118 1.00 0.00 C ATOM 228 O VAL A 23 -1.544 -1.564 5.773 1.00 0.00 O ATOM 229 CB VAL A 23 -4.333 -1.076 6.587 1.00 0.00 C ATOM 230 CG1 VAL A 23 -3.964 0.264 7.205 1.00 0.00 C ATOM 231 CG2 VAL A 23 -5.837 -1.299 6.637 1.00 0.00 C ATOM 0 H VAL A 23 -4.358 -3.187 5.220 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.340 -0.414 4.533 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.853 -1.862 7.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.333 0.306 8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.880 0.379 7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.415 1.069 6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.180 -1.236 7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.338 -0.536 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.072 -2.285 6.237 1.00 0.00 H new ATOM 241 N ALA A 24 -1.932 0.145 4.362 1.00 0.00 N ATOM 242 CA ALA A 24 -0.528 0.523 4.260 1.00 0.00 C ATOM 243 C ALA A 24 -0.379 2.025 4.041 1.00 0.00 C ATOM 244 O ALA A 24 -0.980 2.592 3.127 1.00 0.00 O ATOM 245 CB ALA A 24 0.145 -0.246 3.134 1.00 0.00 C ATOM 0 H ALA A 24 -2.566 0.724 3.812 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.039 0.269 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.193 0.046 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.078 -1.316 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.353 -0.021 2.191 1.00 0.00 H new ATOM 251 N LEU A 25 0.424 2.664 4.884 1.00 0.00 N ATOM 252 CA LEU A 25 0.652 4.101 4.783 1.00 0.00 C ATOM 253 C LEU A 25 -0.638 4.876 5.034 1.00 0.00 C ATOM 254 O LEU A 25 -0.944 5.838 4.329 1.00 0.00 O ATOM 255 CB LEU A 25 1.211 4.453 3.403 1.00 0.00 C ATOM 256 CG LEU A 25 2.418 3.637 2.939 1.00 0.00 C ATOM 257 CD1 LEU A 25 2.517 3.644 1.422 1.00 0.00 C ATOM 258 CD2 LEU A 25 3.697 4.176 3.562 1.00 0.00 C ATOM 0 H LEU A 25 0.928 2.210 5.645 1.00 0.00 H new ATOM 0 HA LEU A 25 1.378 4.383 5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.414 4.334 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.489 5.507 3.404 1.00 0.00 H new ATOM 0 HG LEU A 25 2.284 2.607 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.382 3.058 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.612 3.210 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.628 4.669 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.546 3.583 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.837 5.215 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.626 4.116 4.648 1.00 0.00 H new ATOM 270 N ASP A 26 -1.389 4.452 6.044 1.00 0.00 N ATOM 271 CA ASP A 26 -2.644 5.108 6.392 1.00 0.00 C ATOM 272 C ASP A 26 -3.600 5.116 5.203 1.00 0.00 C ATOM 273 O ASP A 26 -4.376 6.055 5.024 1.00 0.00 O ATOM 274 CB ASP A 26 -2.383 6.540 6.862 1.00 0.00 C ATOM 275 CG ASP A 26 -2.162 6.626 8.359 1.00 0.00 C ATOM 276 OD1 ASP A 26 -1.003 6.472 8.797 1.00 0.00 O ATOM 277 OD2 ASP A 26 -3.148 6.848 9.093 1.00 0.00 O ATOM 0 H ASP A 26 -1.151 3.657 6.636 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.106 4.546 7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.509 6.935 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.228 7.170 6.586 1.00 0.00 H new ATOM 282 N ARG A 27 -3.537 4.065 4.392 1.00 0.00 N ATOM 283 CA ARG A 27 -4.395 3.953 3.219 1.00 0.00 C ATOM 284 C ARG A 27 -4.880 2.517 3.036 1.00 0.00 C ATOM 285 O ARG A 27 -4.473 1.615 3.768 1.00 0.00 O ATOM 286 CB ARG A 27 -3.646 4.413 1.967 1.00 0.00 C ATOM 287 CG ARG A 27 -3.733 5.910 1.721 1.00 0.00 C ATOM 288 CD ARG A 27 -4.930 6.264 0.852 1.00 0.00 C ATOM 289 NE ARG A 27 -4.793 7.584 0.244 1.00 0.00 N ATOM 290 CZ ARG A 27 -5.629 8.061 -0.672 1.00 0.00 C ATOM 291 NH1 ARG A 27 -6.656 7.330 -1.083 1.00 0.00 N ATOM 292 NH2 ARG A 27 -5.439 9.273 -1.179 1.00 0.00 N ATOM 0 H ARG A 27 -2.901 3.279 4.526 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.262 4.595 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.598 4.128 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.047 3.887 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.807 6.433 2.675 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.818 6.254 1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.044 5.514 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.837 6.235 1.455 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.013 8.172 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.806 6.398 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.296 7.699 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.651 9.839 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.081 9.638 -1.882 1.00 0.00 H new ATOM 306 N VAL A 28 -5.752 2.313 2.053 1.00 0.00 N ATOM 307 CA VAL A 28 -6.292 0.988 1.773 1.00 0.00 C ATOM 308 C VAL A 28 -6.117 0.623 0.303 1.00 0.00 C ATOM 309 O VAL A 28 -6.555 1.354 -0.585 1.00 0.00 O ATOM 310 CB VAL A 28 -7.786 0.903 2.138 1.00 0.00 C ATOM 311 CG1 VAL A 28 -8.346 -0.465 1.779 1.00 0.00 C ATOM 312 CG2 VAL A 28 -7.991 1.201 3.615 1.00 0.00 C ATOM 0 H VAL A 28 -6.099 3.049 1.438 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.735 0.282 2.388 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.327 1.653 1.561 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.402 -0.507 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.234 -0.635 0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.804 -1.235 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.052 1.137 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.439 0.476 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.629 2.205 3.837 1.00 0.00 H new ATOM 322 N PHE A 29 -5.474 -0.513 0.054 1.00 0.00 N ATOM 323 CA PHE A 29 -5.241 -0.976 -1.309 1.00 0.00 C ATOM 324 C PHE A 29 -5.565 -2.461 -1.442 1.00 0.00 C ATOM 325 O PHE A 29 -5.338 -3.243 -0.517 1.00 0.00 O ATOM 326 CB PHE A 29 -3.787 -0.722 -1.714 1.00 0.00 C ATOM 327 CG PHE A 29 -3.329 0.685 -1.453 1.00 0.00 C ATOM 328 CD1 PHE A 29 -2.808 1.040 -0.219 1.00 0.00 C ATOM 329 CD2 PHE A 29 -3.419 1.651 -2.441 1.00 0.00 C ATOM 330 CE1 PHE A 29 -2.387 2.333 0.024 1.00 0.00 C ATOM 331 CE2 PHE A 29 -2.999 2.947 -2.204 1.00 0.00 C ATOM 332 CZ PHE A 29 -2.481 3.287 -0.970 1.00 0.00 C ATOM 0 H PHE A 29 -5.105 -1.130 0.778 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.900 -0.417 -1.974 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.141 -1.412 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.670 -0.943 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.730 0.298 0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.822 1.389 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.985 2.598 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.076 3.692 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.150 4.298 -0.782 1.00 0.00 H new ATOM 342 N HIS A 30 -6.098 -2.843 -2.598 1.00 0.00 N ATOM 343 CA HIS A 30 -6.455 -4.234 -2.853 1.00 0.00 C ATOM 344 C HIS A 30 -5.207 -5.107 -2.944 1.00 0.00 C ATOM 345 O HIS A 30 -4.224 -4.737 -3.587 1.00 0.00 O ATOM 346 CB HIS A 30 -7.266 -4.347 -4.144 1.00 0.00 C ATOM 347 CG HIS A 30 -8.692 -3.914 -3.996 1.00 0.00 C ATOM 348 ND1 HIS A 30 -9.232 -2.852 -4.690 1.00 0.00 N ATOM 349 CD2 HIS A 30 -9.691 -4.407 -3.228 1.00 0.00 C ATOM 350 CE1 HIS A 30 -10.502 -2.710 -4.354 1.00 0.00 C ATOM 351 NE2 HIS A 30 -10.806 -3.642 -3.469 1.00 0.00 N ATOM 0 H HIS A 30 -6.292 -2.209 -3.373 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.063 -4.586 -2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.790 -3.743 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.243 -5.381 -4.488 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.624 -5.246 -2.551 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.177 -1.959 -4.738 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -11.720 -3.772 -3.035 1.00 0.00 H new ATOM 359 N VAL A 31 -5.252 -6.266 -2.296 1.00 0.00 N ATOM 360 CA VAL A 31 -4.125 -7.192 -2.304 1.00 0.00 C ATOM 361 C VAL A 31 -3.387 -7.146 -3.637 1.00 0.00 C ATOM 362 O VAL A 31 -2.159 -7.201 -3.680 1.00 0.00 O ATOM 363 CB VAL A 31 -4.584 -8.637 -2.033 1.00 0.00 C ATOM 364 CG1 VAL A 31 -5.239 -8.742 -0.664 1.00 0.00 C ATOM 365 CG2 VAL A 31 -5.533 -9.108 -3.125 1.00 0.00 C ATOM 0 H VAL A 31 -6.057 -6.587 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.451 -6.878 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.708 -9.285 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.557 -9.770 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.524 -8.448 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.106 -8.083 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.847 -10.131 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.408 -8.458 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.025 -9.073 -4.089 1.00 0.00 H new ATOM 375 N GLY A 32 -4.145 -7.045 -4.725 1.00 0.00 N ATOM 376 CA GLY A 32 -3.545 -6.993 -6.045 1.00 0.00 C ATOM 377 C GLY A 32 -3.009 -5.616 -6.385 1.00 0.00 C ATOM 378 O GLY A 32 -1.887 -5.482 -6.874 1.00 0.00 O ATOM 0 H GLY A 32 -5.164 -6.998 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.734 -7.719 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.286 -7.285 -6.789 1.00 0.00 H new ATOM 382 N CYS A 33 -3.813 -4.590 -6.128 1.00 0.00 N ATOM 383 CA CYS A 33 -3.415 -3.217 -6.411 1.00 0.00 C ATOM 384 C CYS A 33 -2.114 -2.869 -5.695 1.00 0.00 C ATOM 385 O CYS A 33 -1.168 -2.373 -6.309 1.00 0.00 O ATOM 386 CB CYS A 33 -4.519 -2.246 -5.987 1.00 0.00 C ATOM 387 SG CYS A 33 -6.041 -2.369 -6.981 1.00 0.00 S ATOM 0 H CYS A 33 -4.745 -4.684 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.253 -3.126 -7.485 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.766 -2.428 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.137 -1.227 -6.052 1.00 0.00 H new ATOM 392 N PHE A 34 -2.073 -3.132 -4.393 1.00 0.00 N ATOM 393 CA PHE A 34 -0.888 -2.846 -3.592 1.00 0.00 C ATOM 394 C PHE A 34 0.339 -3.551 -4.165 1.00 0.00 C ATOM 395 O PHE A 34 0.517 -4.755 -3.984 1.00 0.00 O ATOM 396 CB PHE A 34 -1.109 -3.281 -2.142 1.00 0.00 C ATOM 397 CG PHE A 34 -0.091 -2.726 -1.188 1.00 0.00 C ATOM 398 CD1 PHE A 34 0.059 -1.357 -1.033 1.00 0.00 C ATOM 399 CD2 PHE A 34 0.717 -3.573 -0.446 1.00 0.00 C ATOM 400 CE1 PHE A 34 0.995 -0.843 -0.155 1.00 0.00 C ATOM 401 CE2 PHE A 34 1.654 -3.065 0.434 1.00 0.00 C ATOM 402 CZ PHE A 34 1.794 -1.698 0.578 1.00 0.00 C ATOM 0 H PHE A 34 -2.846 -3.543 -3.870 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.713 -1.770 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.103 -2.966 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.088 -4.370 -2.090 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.563 -0.684 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.613 -4.642 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.101 0.226 -0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.276 -3.736 1.008 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.527 -1.299 1.263 1.00 0.00 H new ATOM 412 N VAL A 35 1.181 -2.791 -4.858 1.00 0.00 N ATOM 413 CA VAL A 35 2.391 -3.341 -5.457 1.00 0.00 C ATOM 414 C VAL A 35 3.498 -2.295 -5.518 1.00 0.00 C ATOM 415 O VAL A 35 3.249 -1.100 -5.353 1.00 0.00 O ATOM 416 CB VAL A 35 2.122 -3.871 -6.879 1.00 0.00 C ATOM 417 CG1 VAL A 35 0.910 -4.790 -6.886 1.00 0.00 C ATOM 418 CG2 VAL A 35 1.931 -2.716 -7.850 1.00 0.00 C ATOM 0 H VAL A 35 1.047 -1.793 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 35 2.711 -4.168 -4.823 1.00 0.00 H new ATOM 0 HB VAL A 35 2.988 -4.449 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.736 -5.154 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.091 -5.635 -6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.034 -4.240 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.742 -3.108 -8.849 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.083 -2.110 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.831 -2.101 -7.866 1.00 0.00 H new ATOM 428 N CYS A 36 4.723 -2.752 -5.755 1.00 0.00 N ATOM 429 CA CYS A 36 5.871 -1.857 -5.837 1.00 0.00 C ATOM 430 C CYS A 36 5.630 -0.756 -6.866 1.00 0.00 C ATOM 431 O CYS A 36 4.696 -0.832 -7.664 1.00 0.00 O ATOM 432 CB CYS A 36 7.132 -2.643 -6.202 1.00 0.00 C ATOM 433 SG CYS A 36 8.677 -1.696 -6.021 1.00 0.00 S ATOM 0 H CYS A 36 4.946 -3.738 -5.894 1.00 0.00 H new ATOM 0 HA CYS A 36 6.009 -1.394 -4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.188 -3.532 -5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.047 -2.986 -7.233 1.00 0.00 H new ATOM 438 N SER A 37 6.479 0.266 -6.841 1.00 0.00 N ATOM 439 CA SER A 37 6.357 1.384 -7.769 1.00 0.00 C ATOM 440 C SER A 37 7.264 1.187 -8.980 1.00 0.00 C ATOM 441 O SER A 37 7.008 1.727 -10.057 1.00 0.00 O ATOM 442 CB SER A 37 6.704 2.698 -7.066 1.00 0.00 C ATOM 443 OG SER A 37 6.879 3.747 -8.002 1.00 0.00 O ATOM 0 H SER A 37 7.259 0.343 -6.188 1.00 0.00 H new ATOM 0 HA SER A 37 5.324 1.426 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.911 2.960 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.616 2.572 -6.482 1.00 0.00 H new ATOM 0 HG SER A 37 7.524 4.395 -7.650 1.00 0.00 H new ATOM 449 N THR A 38 8.326 0.409 -8.796 1.00 0.00 N ATOM 450 CA THR A 38 9.272 0.141 -9.871 1.00 0.00 C ATOM 451 C THR A 38 8.967 -1.189 -10.553 1.00 0.00 C ATOM 452 O THR A 38 8.521 -1.223 -11.700 1.00 0.00 O ATOM 453 CB THR A 38 10.722 0.118 -9.352 1.00 0.00 C ATOM 454 OG1 THR A 38 11.055 1.386 -8.775 1.00 0.00 O ATOM 455 CG2 THR A 38 11.695 -0.206 -10.475 1.00 0.00 C ATOM 0 H THR A 38 8.552 -0.047 -7.912 1.00 0.00 H new ATOM 0 HA THR A 38 9.166 0.950 -10.594 1.00 0.00 H new ATOM 0 HB THR A 38 10.800 -0.659 -8.592 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.978 1.363 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.712 -0.216 -10.083 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.457 -1.185 -10.892 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.614 0.550 -11.256 1.00 0.00 H new ATOM 463 N CYS A 39 9.211 -2.283 -9.839 1.00 0.00 N ATOM 464 CA CYS A 39 8.962 -3.616 -10.374 1.00 0.00 C ATOM 465 C CYS A 39 7.481 -3.971 -10.286 1.00 0.00 C ATOM 466 O CYS A 39 7.024 -4.933 -10.903 1.00 0.00 O ATOM 467 CB CYS A 39 9.793 -4.655 -9.617 1.00 0.00 C ATOM 468 SG CYS A 39 9.080 -5.154 -8.017 1.00 0.00 S ATOM 0 H CYS A 39 9.581 -2.272 -8.888 1.00 0.00 H new ATOM 0 HA CYS A 39 9.256 -3.619 -11.424 1.00 0.00 H new ATOM 0 HB2 CYS A 39 9.907 -5.540 -10.243 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.792 -4.253 -9.448 1.00 0.00 H new ATOM 473 N ARG A 40 6.735 -3.186 -9.514 1.00 0.00 N ATOM 474 CA ARG A 40 5.306 -3.417 -9.344 1.00 0.00 C ATOM 475 C ARG A 40 5.036 -4.853 -8.904 1.00 0.00 C ATOM 476 O ARG A 40 4.177 -5.533 -9.463 1.00 0.00 O ATOM 477 CB ARG A 40 4.562 -3.124 -10.648 1.00 0.00 C ATOM 478 CG ARG A 40 4.359 -1.641 -10.913 1.00 0.00 C ATOM 479 CD ARG A 40 5.619 -0.997 -11.470 1.00 0.00 C ATOM 480 NE ARG A 40 5.319 0.181 -12.280 1.00 0.00 N ATOM 481 CZ ARG A 40 6.052 0.563 -13.320 1.00 0.00 C ATOM 482 NH1 ARG A 40 7.121 -0.136 -13.675 1.00 0.00 N ATOM 483 NH2 ARG A 40 5.715 1.647 -14.007 1.00 0.00 N ATOM 0 H ARG A 40 7.097 -2.385 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 40 4.944 -2.743 -8.568 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.116 -3.560 -11.479 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.590 -3.616 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 40 3.538 -1.505 -11.617 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.072 -1.141 -9.988 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.275 -0.714 -10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.161 -1.724 -12.074 1.00 0.00 H new ATOM 0 HE ARG A 40 4.503 0.741 -12.034 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.383 -0.970 -13.149 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.682 0.160 -14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.893 2.187 -13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.278 1.940 -14.805 1.00 0.00 H new ATOM 497 N ALA A 41 5.776 -5.307 -7.898 1.00 0.00 N ATOM 498 CA ALA A 41 5.616 -6.660 -7.381 1.00 0.00 C ATOM 499 C ALA A 41 4.490 -6.727 -6.355 1.00 0.00 C ATOM 500 O ALA A 41 4.138 -5.720 -5.741 1.00 0.00 O ATOM 501 CB ALA A 41 6.920 -7.150 -6.769 1.00 0.00 C ATOM 0 H ALA A 41 6.493 -4.757 -7.425 1.00 0.00 H new ATOM 0 HA ALA A 41 5.352 -7.311 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.785 -8.162 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.701 -7.150 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.209 -6.489 -5.952 1.00 0.00 H new ATOM 507 N GLN A 42 3.928 -7.918 -6.176 1.00 0.00 N ATOM 508 CA GLN A 42 2.840 -8.114 -5.225 1.00 0.00 C ATOM 509 C GLN A 42 3.327 -7.915 -3.793 1.00 0.00 C ATOM 510 O GLN A 42 4.082 -8.732 -3.264 1.00 0.00 O ATOM 511 CB GLN A 42 2.242 -9.512 -5.384 1.00 0.00 C ATOM 512 CG GLN A 42 1.097 -9.574 -6.382 1.00 0.00 C ATOM 513 CD GLN A 42 0.097 -10.667 -6.057 1.00 0.00 C ATOM 514 OE1 GLN A 42 0.474 -11.773 -5.667 1.00 0.00 O ATOM 515 NE2 GLN A 42 -1.185 -10.363 -6.215 1.00 0.00 N ATOM 0 H GLN A 42 4.208 -8.761 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 42 2.070 -7.372 -5.434 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.026 -10.200 -5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.886 -9.859 -4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.585 -8.612 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.500 -9.741 -7.381 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -1.453 -9.434 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.903 -11.058 -6.011 1.00 0.00 H new ATOM 524 N LEU A 43 2.890 -6.826 -3.171 1.00 0.00 N ATOM 525 CA LEU A 43 3.281 -6.519 -1.800 1.00 0.00 C ATOM 526 C LEU A 43 2.159 -6.861 -0.824 1.00 0.00 C ATOM 527 O LEU A 43 2.147 -6.390 0.313 1.00 0.00 O ATOM 528 CB LEU A 43 3.651 -5.041 -1.672 1.00 0.00 C ATOM 529 CG LEU A 43 4.671 -4.514 -2.682 1.00 0.00 C ATOM 530 CD1 LEU A 43 4.847 -3.012 -2.529 1.00 0.00 C ATOM 531 CD2 LEU A 43 6.004 -5.229 -2.515 1.00 0.00 C ATOM 0 H LEU A 43 2.264 -6.141 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 43 4.151 -7.127 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.740 -4.450 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.042 -4.871 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 43 4.297 -4.714 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.577 -2.655 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.892 -2.515 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.199 -2.788 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.718 -4.842 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.384 -5.060 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.866 -6.298 -2.676 1.00 0.00 H new ATOM 543 N ARG A 44 1.218 -7.683 -1.277 1.00 0.00 N ATOM 544 CA ARG A 44 0.093 -8.089 -0.444 1.00 0.00 C ATOM 545 C ARG A 44 0.579 -8.736 0.849 1.00 0.00 C ATOM 546 O ARG A 44 0.083 -8.431 1.933 1.00 0.00 O ATOM 547 CB ARG A 44 -0.809 -9.061 -1.206 1.00 0.00 C ATOM 548 CG ARG A 44 -0.095 -10.321 -1.666 1.00 0.00 C ATOM 549 CD ARG A 44 -1.063 -11.317 -2.285 1.00 0.00 C ATOM 550 NE ARG A 44 -0.434 -12.612 -2.532 1.00 0.00 N ATOM 551 CZ ARG A 44 -1.072 -13.771 -2.422 1.00 0.00 C ATOM 552 NH1 ARG A 44 -2.351 -13.798 -2.072 1.00 0.00 N ATOM 553 NH2 ARG A 44 -0.432 -14.908 -2.664 1.00 0.00 N ATOM 0 H ARG A 44 1.213 -8.081 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.479 -7.197 -0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.648 -9.341 -0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.225 -8.552 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.674 -10.060 -2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.412 -10.783 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.919 -11.450 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.446 -10.915 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 44 0.549 -12.627 -2.804 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.847 -12.927 -1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.838 -14.690 -1.988 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.551 -14.892 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.923 -15.798 -2.579 1.00 0.00 H new ATOM 567 N GLY A 45 1.553 -9.633 0.727 1.00 0.00 N ATOM 568 CA GLY A 45 2.089 -10.310 1.893 1.00 0.00 C ATOM 569 C GLY A 45 3.592 -10.493 1.817 1.00 0.00 C ATOM 570 O GLY A 45 4.077 -11.593 1.556 1.00 0.00 O ATOM 0 H GLY A 45 1.980 -9.903 -0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.840 -9.739 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.612 -11.285 1.995 1.00 0.00 H new ATOM 574 N GLN A 46 4.330 -9.411 2.045 1.00 0.00 N ATOM 575 CA GLN A 46 5.786 -9.457 1.999 1.00 0.00 C ATOM 576 C GLN A 46 6.390 -8.185 2.584 1.00 0.00 C ATOM 577 O GLN A 46 5.672 -7.243 2.922 1.00 0.00 O ATOM 578 CB GLN A 46 6.266 -9.648 0.559 1.00 0.00 C ATOM 579 CG GLN A 46 5.824 -8.539 -0.382 1.00 0.00 C ATOM 580 CD GLN A 46 6.839 -8.259 -1.472 1.00 0.00 C ATOM 581 OE1 GLN A 46 7.856 -7.605 -1.236 1.00 0.00 O ATOM 582 NE2 GLN A 46 6.569 -8.753 -2.675 1.00 0.00 N ATOM 0 H GLN A 46 3.943 -8.493 2.263 1.00 0.00 H new ATOM 0 HA GLN A 46 6.117 -10.304 2.600 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.354 -9.706 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.893 -10.601 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.873 -8.813 -0.838 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.652 -7.628 0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.715 -9.289 -2.826 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.216 -8.596 -3.448 1.00 0.00 H new ATOM 591 N HIS A 47 7.714 -8.163 2.700 1.00 0.00 N ATOM 592 CA HIS A 47 8.415 -7.005 3.244 1.00 0.00 C ATOM 593 C HIS A 47 8.628 -5.944 2.169 1.00 0.00 C ATOM 594 O HIS A 47 9.143 -6.236 1.089 1.00 0.00 O ATOM 595 CB HIS A 47 9.760 -7.428 3.835 1.00 0.00 C ATOM 596 CG HIS A 47 9.649 -8.508 4.866 1.00 0.00 C ATOM 597 ND1 HIS A 47 9.225 -9.787 4.573 1.00 0.00 N ATOM 598 CD2 HIS A 47 9.911 -8.495 6.194 1.00 0.00 C ATOM 599 CE1 HIS A 47 9.229 -10.514 5.677 1.00 0.00 C ATOM 600 NE2 HIS A 47 9.642 -9.753 6.674 1.00 0.00 N ATOM 0 H HIS A 47 8.323 -8.934 2.425 1.00 0.00 H new ATOM 0 HA HIS A 47 7.799 -6.576 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.409 -7.771 3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.240 -6.558 4.283 1.00 0.00 H new ATOM 0 HD2 HIS A 47 10.266 -7.652 6.769 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.943 -11.553 5.751 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.745 -10.051 7.644 1.00 0.00 H new ATOM 609 N PHE A 48 8.229 -4.713 2.471 1.00 0.00 N ATOM 610 CA PHE A 48 8.376 -3.609 1.530 1.00 0.00 C ATOM 611 C PHE A 48 8.921 -2.367 2.228 1.00 0.00 C ATOM 612 O PHE A 48 9.051 -2.337 3.452 1.00 0.00 O ATOM 613 CB PHE A 48 7.031 -3.290 0.872 1.00 0.00 C ATOM 614 CG PHE A 48 5.879 -3.287 1.836 1.00 0.00 C ATOM 615 CD1 PHE A 48 5.234 -4.467 2.169 1.00 0.00 C ATOM 616 CD2 PHE A 48 5.441 -2.103 2.408 1.00 0.00 C ATOM 617 CE1 PHE A 48 4.173 -4.467 3.055 1.00 0.00 C ATOM 618 CE2 PHE A 48 4.381 -2.098 3.295 1.00 0.00 C ATOM 619 CZ PHE A 48 3.746 -3.281 3.618 1.00 0.00 C ATOM 0 H PHE A 48 7.801 -4.455 3.360 1.00 0.00 H new ATOM 0 HA PHE A 48 9.087 -3.912 0.761 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.094 -2.315 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.836 -4.022 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.564 -5.398 1.731 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.933 -1.175 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.679 -5.394 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.049 -1.169 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.917 -3.278 4.310 1.00 0.00 H new ATOM 629 N TYR A 49 9.238 -1.345 1.442 1.00 0.00 N ATOM 630 CA TYR A 49 9.772 -0.101 1.983 1.00 0.00 C ATOM 631 C TYR A 49 8.840 1.069 1.682 1.00 0.00 C ATOM 632 O TYR A 49 8.024 1.006 0.763 1.00 0.00 O ATOM 633 CB TYR A 49 11.160 0.177 1.405 1.00 0.00 C ATOM 634 CG TYR A 49 12.264 -0.610 2.075 1.00 0.00 C ATOM 635 CD1 TYR A 49 12.510 -1.932 1.727 1.00 0.00 C ATOM 636 CD2 TYR A 49 13.060 -0.031 3.056 1.00 0.00 C ATOM 637 CE1 TYR A 49 13.517 -2.655 2.336 1.00 0.00 C ATOM 638 CE2 TYR A 49 14.070 -0.746 3.669 1.00 0.00 C ATOM 639 CZ TYR A 49 14.295 -2.058 3.306 1.00 0.00 C ATOM 640 OH TYR A 49 15.299 -2.774 3.917 1.00 0.00 O ATOM 0 H TYR A 49 9.134 -1.353 0.427 1.00 0.00 H new ATOM 0 HA TYR A 49 9.851 -0.210 3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 49 11.154 -0.056 0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 49 11.376 1.241 1.497 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.904 -2.403 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.886 0.995 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 49 13.694 -3.682 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.681 -0.281 4.429 1.00 0.00 H new ATOM 0 HH TYR A 49 15.752 -2.206 4.575 1.00 0.00 H new ATOM 650 N ALA A 50 8.968 2.135 2.465 1.00 0.00 N ATOM 651 CA ALA A 50 8.140 3.321 2.282 1.00 0.00 C ATOM 652 C ALA A 50 8.998 4.560 2.050 1.00 0.00 C ATOM 653 O ALA A 50 9.697 5.020 2.953 1.00 0.00 O ATOM 654 CB ALA A 50 7.233 3.523 3.487 1.00 0.00 C ATOM 0 H ALA A 50 9.637 2.202 3.232 1.00 0.00 H new ATOM 0 HA ALA A 50 7.522 3.169 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.621 4.412 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.587 2.653 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.841 3.649 4.383 1.00 0.00 H new ATOM 660 N VAL A 51 8.941 5.095 0.835 1.00 0.00 N ATOM 661 CA VAL A 51 9.713 6.281 0.485 1.00 0.00 C ATOM 662 C VAL A 51 8.896 7.233 -0.381 1.00 0.00 C ATOM 663 O VAL A 51 8.460 6.873 -1.474 1.00 0.00 O ATOM 664 CB VAL A 51 11.007 5.908 -0.263 1.00 0.00 C ATOM 665 CG1 VAL A 51 11.770 7.160 -0.667 1.00 0.00 C ATOM 666 CG2 VAL A 51 11.874 4.999 0.595 1.00 0.00 C ATOM 0 H VAL A 51 8.368 4.726 0.076 1.00 0.00 H new ATOM 0 HA VAL A 51 9.972 6.777 1.420 1.00 0.00 H new ATOM 0 HB VAL A 51 10.739 5.367 -1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.681 6.877 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.147 7.770 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.029 7.732 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.784 4.745 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.135 5.513 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.325 4.087 0.829 1.00 0.00 H new ATOM 676 N GLU A 52 8.692 8.449 0.115 1.00 0.00 N ATOM 677 CA GLU A 52 7.927 9.453 -0.614 1.00 0.00 C ATOM 678 C GLU A 52 6.480 9.004 -0.801 1.00 0.00 C ATOM 679 O GLU A 52 5.873 9.251 -1.843 1.00 0.00 O ATOM 680 CB GLU A 52 8.568 9.726 -1.976 1.00 0.00 C ATOM 681 CG GLU A 52 9.864 10.515 -1.891 1.00 0.00 C ATOM 682 CD GLU A 52 10.170 11.273 -3.169 1.00 0.00 C ATOM 683 OE1 GLU A 52 9.590 12.361 -3.366 1.00 0.00 O ATOM 684 OE2 GLU A 52 10.989 10.777 -3.970 1.00 0.00 O ATOM 0 H GLU A 52 9.046 8.763 1.019 1.00 0.00 H new ATOM 0 HA GLU A 52 7.932 10.372 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.763 8.776 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.860 10.273 -2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.803 11.219 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.686 9.834 -1.671 1.00 0.00 H new ATOM 691 N ARG A 53 5.936 8.343 0.215 1.00 0.00 N ATOM 692 CA ARG A 53 4.562 7.858 0.162 1.00 0.00 C ATOM 693 C ARG A 53 4.401 6.799 -0.925 1.00 0.00 C ATOM 694 O ARG A 53 3.387 6.761 -1.622 1.00 0.00 O ATOM 695 CB ARG A 53 3.598 9.018 -0.094 1.00 0.00 C ATOM 696 CG ARG A 53 3.658 10.105 0.967 1.00 0.00 C ATOM 697 CD ARG A 53 2.800 11.301 0.587 1.00 0.00 C ATOM 698 NE ARG A 53 1.382 11.061 0.841 1.00 0.00 N ATOM 699 CZ ARG A 53 0.450 12.004 0.758 1.00 0.00 C ATOM 700 NH1 ARG A 53 0.785 13.244 0.428 1.00 0.00 N ATOM 701 NH2 ARG A 53 -0.819 11.707 1.003 1.00 0.00 N ATOM 0 H ARG A 53 6.425 8.131 1.085 1.00 0.00 H new ATOM 0 HA ARG A 53 4.326 7.405 1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.822 9.458 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.581 8.629 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.320 9.702 1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.691 10.425 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.126 12.175 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.945 11.530 -0.469 1.00 0.00 H new ATOM 0 HE ARG A 53 1.091 10.117 1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.760 13.475 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.068 13.966 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.080 10.754 1.255 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.534 12.432 0.939 1.00 0.00 H new ATOM 715 N ARG A 54 5.407 5.942 -1.062 1.00 0.00 N ATOM 716 CA ARG A 54 5.378 4.884 -2.065 1.00 0.00 C ATOM 717 C ARG A 54 5.753 3.540 -1.448 1.00 0.00 C ATOM 718 O ARG A 54 6.069 3.456 -0.262 1.00 0.00 O ATOM 719 CB ARG A 54 6.333 5.214 -3.214 1.00 0.00 C ATOM 720 CG ARG A 54 5.737 6.153 -4.251 1.00 0.00 C ATOM 721 CD ARG A 54 6.359 5.937 -5.621 1.00 0.00 C ATOM 722 NE ARG A 54 5.621 6.630 -6.673 1.00 0.00 N ATOM 723 CZ ARG A 54 4.413 6.264 -7.087 1.00 0.00 C ATOM 724 NH1 ARG A 54 3.810 5.217 -6.539 1.00 0.00 N ATOM 725 NH2 ARG A 54 3.805 6.946 -8.049 1.00 0.00 N ATOM 0 H ARG A 54 6.252 5.959 -0.491 1.00 0.00 H new ATOM 0 HA ARG A 54 4.362 4.815 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.237 5.665 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.632 4.288 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.660 5.995 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.891 7.186 -3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.391 6.289 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.388 4.870 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 54 6.057 7.440 -7.114 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.274 4.691 -5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.882 4.938 -6.858 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.265 7.752 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.877 6.664 -8.366 1.00 0.00 H new ATOM 739 N ALA A 55 5.716 2.490 -2.263 1.00 0.00 N ATOM 740 CA ALA A 55 6.054 1.150 -1.798 1.00 0.00 C ATOM 741 C ALA A 55 7.158 0.535 -2.652 1.00 0.00 C ATOM 742 O ALA A 55 6.984 0.327 -3.853 1.00 0.00 O ATOM 743 CB ALA A 55 4.819 0.262 -1.807 1.00 0.00 C ATOM 0 H ALA A 55 5.455 2.542 -3.248 1.00 0.00 H new ATOM 0 HA ALA A 55 6.424 1.229 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.086 -0.735 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.061 0.686 -1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.424 0.198 -2.821 1.00 0.00 H new ATOM 749 N TYR A 56 8.292 0.246 -2.024 1.00 0.00 N ATOM 750 CA TYR A 56 9.426 -0.343 -2.728 1.00 0.00 C ATOM 751 C TYR A 56 9.852 -1.653 -2.072 1.00 0.00 C ATOM 752 O TYR A 56 10.237 -1.680 -0.903 1.00 0.00 O ATOM 753 CB TYR A 56 10.602 0.635 -2.752 1.00 0.00 C ATOM 754 CG TYR A 56 10.337 1.880 -3.568 1.00 0.00 C ATOM 755 CD1 TYR A 56 10.520 1.883 -4.946 1.00 0.00 C ATOM 756 CD2 TYR A 56 9.903 3.052 -2.962 1.00 0.00 C ATOM 757 CE1 TYR A 56 10.280 3.019 -5.695 1.00 0.00 C ATOM 758 CE2 TYR A 56 9.659 4.192 -3.703 1.00 0.00 C ATOM 759 CZ TYR A 56 9.850 4.171 -5.069 1.00 0.00 C ATOM 760 OH TYR A 56 9.608 5.303 -5.812 1.00 0.00 O ATOM 0 H TYR A 56 8.451 0.410 -1.030 1.00 0.00 H new ATOM 0 HA TYR A 56 9.117 -0.554 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.843 0.925 -1.729 1.00 0.00 H new ATOM 0 HB3 TYR A 56 11.478 0.127 -3.154 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.855 0.983 -5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.754 3.072 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.428 3.005 -6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.321 5.094 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 56 9.319 5.047 -6.713 1.00 0.00 H new ATOM 770 N CYS A 57 9.782 -2.739 -2.835 1.00 0.00 N ATOM 771 CA CYS A 57 10.161 -4.054 -2.331 1.00 0.00 C ATOM 772 C CYS A 57 11.653 -4.107 -2.017 1.00 0.00 C ATOM 773 O CYS A 57 12.459 -3.449 -2.674 1.00 0.00 O ATOM 774 CB CYS A 57 9.805 -5.136 -3.353 1.00 0.00 C ATOM 775 SG CYS A 57 10.592 -4.911 -4.980 1.00 0.00 S ATOM 0 H CYS A 57 9.466 -2.734 -3.805 1.00 0.00 H new ATOM 0 HA CYS A 57 9.607 -4.236 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.094 -6.108 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.723 -5.155 -3.484 1.00 0.00 H new ATOM 780 N GLU A 58 12.012 -4.895 -1.008 1.00 0.00 N ATOM 781 CA GLU A 58 13.407 -5.033 -0.607 1.00 0.00 C ATOM 782 C GLU A 58 14.333 -4.940 -1.816 1.00 0.00 C ATOM 783 O GLU A 58 15.221 -4.090 -1.867 1.00 0.00 O ATOM 784 CB GLU A 58 13.624 -6.365 0.114 1.00 0.00 C ATOM 785 CG GLU A 58 14.962 -6.460 0.828 1.00 0.00 C ATOM 786 CD GLU A 58 15.044 -7.656 1.756 1.00 0.00 C ATOM 787 OE1 GLU A 58 14.581 -8.747 1.362 1.00 0.00 O ATOM 788 OE2 GLU A 58 15.572 -7.501 2.877 1.00 0.00 O ATOM 0 H GLU A 58 11.357 -5.447 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 58 13.645 -4.216 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.824 -6.510 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.550 -7.177 -0.610 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.760 -6.523 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.129 -5.548 1.401 1.00 0.00 H new ATOM 795 N GLY A 59 14.118 -5.821 -2.788 1.00 0.00 N ATOM 796 CA GLY A 59 14.941 -5.823 -3.983 1.00 0.00 C ATOM 797 C GLY A 59 15.117 -4.435 -4.568 1.00 0.00 C ATOM 798 O GLY A 59 16.224 -3.897 -4.586 1.00 0.00 O ATOM 0 H GLY A 59 13.388 -6.534 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.919 -6.241 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.489 -6.475 -4.731 1.00 0.00 H new ATOM 802 N CYS A 60 14.023 -3.855 -5.049 1.00 0.00 N ATOM 803 CA CYS A 60 14.060 -2.523 -5.639 1.00 0.00 C ATOM 804 C CYS A 60 14.699 -1.521 -4.682 1.00 0.00 C ATOM 805 O CYS A 60 15.657 -0.833 -5.035 1.00 0.00 O ATOM 806 CB CYS A 60 12.646 -2.064 -6.005 1.00 0.00 C ATOM 807 SG CYS A 60 12.052 -2.693 -7.608 1.00 0.00 S ATOM 0 H CYS A 60 13.099 -4.287 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 60 14.665 -2.571 -6.544 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.958 -2.385 -5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.622 -0.974 -6.023 1.00 0.00 H new ATOM 812 N TYR A 61 14.162 -1.445 -3.469 1.00 0.00 N ATOM 813 CA TYR A 61 14.679 -0.526 -2.461 1.00 0.00 C ATOM 814 C TYR A 61 16.204 -0.539 -2.443 1.00 0.00 C ATOM 815 O TYR A 61 16.845 0.512 -2.414 1.00 0.00 O ATOM 816 CB TYR A 61 14.138 -0.896 -1.079 1.00 0.00 C ATOM 817 CG TYR A 61 14.721 -0.065 0.041 1.00 0.00 C ATOM 818 CD1 TYR A 61 14.205 1.190 0.343 1.00 0.00 C ATOM 819 CD2 TYR A 61 15.788 -0.533 0.797 1.00 0.00 C ATOM 820 CE1 TYR A 61 14.734 1.953 1.366 1.00 0.00 C ATOM 821 CE2 TYR A 61 16.323 0.222 1.822 1.00 0.00 C ATOM 822 CZ TYR A 61 15.793 1.465 2.103 1.00 0.00 C ATOM 823 OH TYR A 61 16.324 2.221 3.122 1.00 0.00 O ATOM 0 H TYR A 61 13.370 -2.008 -3.160 1.00 0.00 H new ATOM 0 HA TYR A 61 14.346 0.480 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.054 -0.781 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.347 -1.948 -0.886 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.376 1.575 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 61 16.207 -1.504 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 61 14.321 2.926 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 61 17.152 -0.158 2.401 1.00 0.00 H new ATOM 0 HH TYR A 61 17.063 1.732 3.541 1.00 0.00 H new ATOM 833 N VAL A 62 16.780 -1.737 -2.460 1.00 0.00 N ATOM 834 CA VAL A 62 18.230 -1.889 -2.447 1.00 0.00 C ATOM 835 C VAL A 62 18.849 -1.365 -3.738 1.00 0.00 C ATOM 836 O VAL A 62 19.912 -0.746 -3.722 1.00 0.00 O ATOM 837 CB VAL A 62 18.638 -3.362 -2.257 1.00 0.00 C ATOM 838 CG1 VAL A 62 20.150 -3.511 -2.333 1.00 0.00 C ATOM 839 CG2 VAL A 62 18.107 -3.895 -0.934 1.00 0.00 C ATOM 0 H VAL A 62 16.264 -2.617 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 62 18.602 -1.305 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 62 18.198 -3.950 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.420 -4.558 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.501 -3.170 -3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.614 -2.912 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.404 -4.937 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.516 -3.306 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.019 -3.825 -0.924 1.00 0.00 H new ATOM 849 N ALA A 63 18.175 -1.616 -4.856 1.00 0.00 N ATOM 850 CA ALA A 63 18.657 -1.167 -6.156 1.00 0.00 C ATOM 851 C ALA A 63 18.852 0.345 -6.177 1.00 0.00 C ATOM 852 O ALA A 63 19.870 0.845 -6.657 1.00 0.00 O ATOM 853 CB ALA A 63 17.692 -1.592 -7.253 1.00 0.00 C ATOM 0 H ALA A 63 17.293 -2.128 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 63 19.625 -1.634 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.065 -1.250 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.607 -2.679 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.712 -1.152 -7.066 1.00 0.00 H new ATOM 859 N THR A 64 17.869 1.071 -5.653 1.00 0.00 N ATOM 860 CA THR A 64 17.932 2.527 -5.613 1.00 0.00 C ATOM 861 C THR A 64 19.106 3.004 -4.766 1.00 0.00 C ATOM 862 O THR A 64 19.795 3.960 -5.123 1.00 0.00 O ATOM 863 CB THR A 64 16.630 3.130 -5.053 1.00 0.00 C ATOM 864 OG1 THR A 64 16.436 2.704 -3.700 1.00 0.00 O ATOM 865 CG2 THR A 64 15.435 2.716 -5.897 1.00 0.00 C ATOM 0 H THR A 64 17.020 0.674 -5.250 1.00 0.00 H new ATOM 0 HA THR A 64 18.068 2.866 -6.640 1.00 0.00 H new ATOM 0 HB THR A 64 16.716 4.216 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.766 1.787 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.527 3.154 -5.482 1.00 0.00 H new ATOM 0 HG22 THR A 64 15.573 3.067 -6.920 1.00 0.00 H new ATOM 0 HG23 THR A 64 15.347 1.630 -5.895 1.00 0.00 H new ATOM 873 N LEU A 65 19.329 2.332 -3.641 1.00 0.00 N ATOM 874 CA LEU A 65 20.421 2.687 -2.742 1.00 0.00 C ATOM 875 C LEU A 65 21.771 2.528 -3.435 1.00 0.00 C ATOM 876 O LEU A 65 22.604 3.433 -3.405 1.00 0.00 O ATOM 877 CB LEU A 65 20.375 1.818 -1.484 1.00 0.00 C ATOM 878 CG LEU A 65 19.056 1.826 -0.710 1.00 0.00 C ATOM 879 CD1 LEU A 65 18.886 0.531 0.068 1.00 0.00 C ATOM 880 CD2 LEU A 65 18.995 3.025 0.226 1.00 0.00 C ATOM 0 H LEU A 65 18.768 1.539 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 65 20.300 3.733 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 65 20.600 0.790 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 65 21.169 2.144 -0.812 1.00 0.00 H new ATOM 0 HG LEU A 65 18.237 1.906 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.942 0.555 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 65 18.885 -0.311 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.709 0.420 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 65 18.050 3.015 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 65 19.821 2.975 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 65 19.070 3.944 -0.355 1.00 0.00 H new ATOM 892 N GLU A 66 21.977 1.373 -4.060 1.00 0.00 N ATOM 893 CA GLU A 66 23.225 1.097 -4.761 1.00 0.00 C ATOM 894 C GLU A 66 23.373 1.999 -5.984 1.00 0.00 C ATOM 895 O GLU A 66 24.457 2.508 -6.265 1.00 0.00 O ATOM 896 CB GLU A 66 23.282 -0.371 -5.187 1.00 0.00 C ATOM 897 CG GLU A 66 22.179 -0.768 -6.153 1.00 0.00 C ATOM 898 CD GLU A 66 22.349 -2.179 -6.685 1.00 0.00 C ATOM 899 OE1 GLU A 66 23.484 -2.697 -6.642 1.00 0.00 O ATOM 900 OE2 GLU A 66 21.345 -2.764 -7.144 1.00 0.00 O ATOM 0 H GLU A 66 21.296 0.614 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 66 24.049 1.302 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 66 24.248 -0.569 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 66 23.220 -1.001 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.215 -0.687 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.163 -0.068 -6.988 1.00 0.00 H new ATOM 907 N SER A 67 22.274 2.191 -6.707 1.00 0.00 N ATOM 908 CA SER A 67 22.281 3.027 -7.901 1.00 0.00 C ATOM 909 C SER A 67 23.320 2.533 -8.903 1.00 0.00 C ATOM 910 O SER A 67 24.095 3.318 -9.449 1.00 0.00 O ATOM 911 CB SER A 67 22.566 4.483 -7.529 1.00 0.00 C ATOM 912 OG SER A 67 21.672 4.937 -6.528 1.00 0.00 O ATOM 0 H SER A 67 21.368 1.779 -6.486 1.00 0.00 H new ATOM 0 HA SER A 67 21.296 2.965 -8.364 1.00 0.00 H new ATOM 0 HB2 SER A 67 23.592 4.577 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 67 22.476 5.112 -8.414 1.00 0.00 H new ATOM 0 HG SER A 67 21.018 4.234 -6.331 1.00 0.00 H new ATOM 918 N GLY A 68 23.331 1.225 -9.140 1.00 0.00 N ATOM 919 CA GLY A 68 24.278 0.648 -10.076 1.00 0.00 C ATOM 920 C GLY A 68 25.709 0.748 -9.587 1.00 0.00 C ATOM 921 O GLY A 68 25.996 0.582 -8.401 1.00 0.00 O ATOM 0 H GLY A 68 22.701 0.554 -8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 68 24.027 -0.399 -10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 68 24.189 1.155 -11.037 1.00 0.00 H new ATOM 925 N PRO A 69 26.638 1.023 -10.515 1.00 0.00 N ATOM 926 CA PRO A 69 28.063 1.150 -10.195 1.00 0.00 C ATOM 927 C PRO A 69 28.365 2.402 -9.379 1.00 0.00 C ATOM 928 O PRO A 69 28.086 3.520 -9.813 1.00 0.00 O ATOM 929 CB PRO A 69 28.729 1.235 -11.571 1.00 0.00 C ATOM 930 CG PRO A 69 27.670 1.772 -12.472 1.00 0.00 C ATOM 931 CD PRO A 69 26.368 1.234 -11.947 1.00 0.00 C ATOM 0 HA PRO A 69 28.419 0.320 -9.584 1.00 0.00 H new ATOM 0 HB2 PRO A 69 29.600 1.890 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 69 29.074 0.256 -11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 69 27.671 2.862 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 69 27.836 1.455 -13.502 1.00 0.00 H new ATOM 0 HD2 PRO A 69 25.551 1.938 -12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 69 26.087 0.305 -12.444 1.00 0.00 H new ATOM 939 N SER A 70 28.938 2.208 -8.196 1.00 0.00 N ATOM 940 CA SER A 70 29.276 3.322 -7.318 1.00 0.00 C ATOM 941 C SER A 70 30.671 3.144 -6.726 1.00 0.00 C ATOM 942 O SER A 70 31.083 2.030 -6.404 1.00 0.00 O ATOM 943 CB SER A 70 28.244 3.444 -6.195 1.00 0.00 C ATOM 944 OG SER A 70 27.013 3.944 -6.685 1.00 0.00 O ATOM 0 H SER A 70 29.178 1.289 -7.823 1.00 0.00 H new ATOM 0 HA SER A 70 29.267 4.236 -7.911 1.00 0.00 H new ATOM 0 HB2 SER A 70 28.086 2.469 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 70 28.625 4.106 -5.417 1.00 0.00 H new ATOM 0 HG SER A 70 26.293 3.319 -6.459 1.00 0.00 H new ATOM 950 N SER A 71 31.393 4.252 -6.586 1.00 0.00 N ATOM 951 CA SER A 71 32.743 4.219 -6.037 1.00 0.00 C ATOM 952 C SER A 71 32.710 4.026 -4.524 1.00 0.00 C ATOM 953 O SER A 71 33.572 3.359 -3.953 1.00 0.00 O ATOM 954 CB SER A 71 33.487 5.511 -6.381 1.00 0.00 C ATOM 955 OG SER A 71 32.652 6.643 -6.207 1.00 0.00 O ATOM 0 H SER A 71 31.065 5.183 -6.845 1.00 0.00 H new ATOM 0 HA SER A 71 33.269 3.375 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 34.369 5.606 -5.748 1.00 0.00 H new ATOM 0 HB3 SER A 71 33.837 5.469 -7.412 1.00 0.00 H new ATOM 0 HG SER A 71 33.152 7.456 -6.432 1.00 0.00 H new ATOM 961 N GLY A 72 31.706 4.614 -3.880 1.00 0.00 N ATOM 962 CA GLY A 72 31.578 4.495 -2.440 1.00 0.00 C ATOM 963 C GLY A 72 30.712 5.587 -1.843 1.00 0.00 C ATOM 964 O GLY A 72 30.038 5.338 -0.845 1.00 0.00 O ATOM 0 H GLY A 72 30.979 5.170 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 72 31.151 3.522 -2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 72 32.568 4.532 -1.986 1.00 0.00 H new TER 968 GLY A 72 HETATM 969 ZN ZN A 201 -8.059 -1.694 -5.943 1.00 0.00 ZN HETATM 970 ZN ZN A 401 10.024 -3.452 -6.744 1.00 0.00 ZN