USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 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 Set 1.1: A 23 ASN : amide:sc= -0.385 K(o=-0.067,f=-0.98) USER MOD Set 1.2: A 26 SER OG : rot -77:sc= 0.318 USER MOD Single : A 2 LYS NZ :NH3+ 145:sc= -0.33 (180deg=-1.35) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.7) USER MOD Single : A 8 SER OG : rot 180:sc= 0.155 USER MOD Single : A 12 LYS NZ :NH3+ 170:sc=-0.00391 (180deg=-0.108) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 51:sc= 0.0231 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 74:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00399 USER MOD Single : A 34 TYR OH : rot -89:sc= 0.575 USER MOD Single : A 40 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.33) USER MOD Single : A 41 SER OG : rot -63:sc= 0.483 USER MOD Single : A 42 ASN : amide:sc= -2.83 K(o=-2.8,f=-2) USER MOD Single : A 43 ASN : amide:sc= -2.5 K(o=-2.5,f=-4!) USER MOD Single : A 46 THR OG1 : rot -78:sc= -0.687 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00733 K(o=-0.0073,f=-0.73) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 2 -1.903 -0.257 -4.876 1.00 74.04 N ATOM 24 CA LYS A 2 -2.461 0.131 -6.167 1.00 2.55 C ATOM 25 C LYS A 2 -1.429 0.884 -7.001 1.00 21.04 C ATOM 26 O LYS A 2 -1.688 1.247 -8.148 1.00 61.22 O ATOM 27 CB LYS A 2 -3.704 1.002 -5.967 1.00 63.31 C ATOM 28 CG LYS A 2 -4.532 1.178 -7.228 1.00 62.41 C ATOM 29 CD LYS A 2 -5.819 0.372 -7.167 1.00 1.31 C ATOM 30 CE LYS A 2 -5.539 -1.116 -7.023 1.00 50.23 C ATOM 31 NZ LYS A 2 -5.663 -1.570 -5.610 1.00 51.25 N ATOM 0 HA LYS A 2 -2.742 -0.777 -6.701 1.00 2.55 H new ATOM 0 HB2 LYS A 2 -4.328 0.558 -5.192 1.00 63.31 H new ATOM 0 HB3 LYS A 2 -3.396 1.983 -5.605 1.00 63.31 H new ATOM 0 HG2 LYS A 2 -4.769 2.233 -7.365 1.00 62.41 H new ATOM 0 HG3 LYS A 2 -3.948 0.867 -8.094 1.00 62.41 H new ATOM 0 HD2 LYS A 2 -6.423 0.713 -6.326 1.00 1.31 H new ATOM 0 HD3 LYS A 2 -6.403 0.548 -8.071 1.00 1.31 H new ATOM 0 HE2 LYS A 2 -6.233 -1.678 -7.647 1.00 50.23 H new ATOM 0 HE3 LYS A 2 -4.535 -1.333 -7.387 1.00 50.23 H new ATOM 0 HZ1 LYS A 2 -6.051 -2.535 -5.588 1.00 51.25 H new ATOM 0 HZ2 LYS A 2 -4.726 -1.563 -5.160 1.00 51.25 H new ATOM 0 HZ3 LYS A 2 -6.299 -0.929 -5.094 1.00 51.25 H new ATOM 45 N LYS A 3 -0.258 1.114 -6.417 1.00 44.42 N ATOM 46 CA LYS A 3 0.815 1.821 -7.107 1.00 3.22 C ATOM 47 C LYS A 3 1.756 0.840 -7.799 1.00 3.13 C ATOM 48 O LYS A 3 2.888 1.185 -8.141 1.00 54.50 O ATOM 49 CB LYS A 3 1.601 2.687 -6.119 1.00 54.23 C ATOM 50 CG LYS A 3 0.759 3.757 -5.445 1.00 34.50 C ATOM 51 CD LYS A 3 0.500 3.424 -3.985 1.00 1.41 C ATOM 52 CE LYS A 3 -0.844 3.963 -3.520 1.00 51.42 C ATOM 53 NZ LYS A 3 -0.693 4.967 -2.431 1.00 4.14 N ATOM 0 H LYS A 3 -0.028 0.821 -5.467 1.00 44.42 H new ATOM 0 HA LYS A 3 0.365 2.462 -7.865 1.00 3.22 H new ATOM 0 HB2 LYS A 3 2.038 2.045 -5.354 1.00 54.23 H new ATOM 0 HB3 LYS A 3 2.428 3.165 -6.645 1.00 54.23 H new ATOM 0 HG2 LYS A 3 1.267 4.719 -5.515 1.00 34.50 H new ATOM 0 HG3 LYS A 3 -0.191 3.859 -5.970 1.00 34.50 H new ATOM 0 HD2 LYS A 3 0.527 2.343 -3.847 1.00 1.41 H new ATOM 0 HD3 LYS A 3 1.295 3.844 -3.368 1.00 1.41 H new ATOM 0 HE2 LYS A 3 -1.364 4.417 -4.363 1.00 51.42 H new ATOM 0 HE3 LYS A 3 -1.464 3.138 -3.170 1.00 51.42 H new ATOM 0 HZ1 LYS A 3 -1.631 5.310 -2.142 1.00 4.14 H new ATOM 0 HZ2 LYS A 3 -0.219 4.527 -1.616 1.00 4.14 H new ATOM 0 HZ3 LYS A 3 -0.122 5.767 -2.773 1.00 4.14 H new ATOM 67 N CYS A 4 1.281 -0.384 -8.003 1.00 64.01 N ATOM 68 CA CYS A 4 2.079 -1.415 -8.655 1.00 63.32 C ATOM 69 C CYS A 4 1.359 -1.965 -9.883 1.00 44.34 C ATOM 70 O CYS A 4 1.801 -2.941 -10.488 1.00 62.13 O ATOM 71 CB CYS A 4 2.381 -2.552 -7.676 1.00 54.32 C ATOM 72 SG CYS A 4 3.728 -3.655 -8.210 1.00 21.41 S ATOM 0 H CYS A 4 0.347 -0.686 -7.726 1.00 64.01 H new ATOM 0 HA CYS A 4 3.017 -0.963 -8.977 1.00 63.32 H new ATOM 0 HB2 CYS A 4 2.639 -2.124 -6.707 1.00 54.32 H new ATOM 0 HB3 CYS A 4 1.477 -3.143 -7.533 1.00 54.32 H new ATOM 77 N GLN A 5 0.249 -1.330 -10.245 1.00 1.21 N ATOM 78 CA GLN A 5 -0.532 -1.755 -11.400 1.00 61.33 C ATOM 79 C GLN A 5 -0.937 -0.558 -12.254 1.00 72.42 C ATOM 80 O GLN A 5 -2.122 -0.335 -12.507 1.00 30.31 O ATOM 81 CB GLN A 5 -1.778 -2.519 -10.947 1.00 44.22 C ATOM 82 CG GLN A 5 -2.332 -2.043 -9.614 1.00 44.41 C ATOM 83 CD GLN A 5 -3.672 -2.669 -9.282 1.00 3.22 C ATOM 84 OE1 GLN A 5 -3.788 -3.450 -8.337 1.00 64.34 O ATOM 85 NE2 GLN A 5 -4.693 -2.328 -10.058 1.00 55.14 N ATOM 0 H GLN A 5 -0.129 -0.519 -9.755 1.00 1.21 H new ATOM 0 HA GLN A 5 0.090 -2.415 -12.004 1.00 61.33 H new ATOM 0 HB2 GLN A 5 -2.551 -2.420 -11.709 1.00 44.22 H new ATOM 0 HB3 GLN A 5 -1.537 -3.579 -10.873 1.00 44.22 H new ATOM 0 HG2 GLN A 5 -1.619 -2.279 -8.824 1.00 44.41 H new ATOM 0 HG3 GLN A 5 -2.437 -0.958 -9.635 1.00 44.41 H new ATOM 0 HE21 GLN A 5 -4.551 -1.677 -10.830 1.00 55.14 H new ATOM 0 HE22 GLN A 5 -5.619 -2.717 -9.882 1.00 55.14 H new ATOM 94 N LEU A 6 0.053 0.209 -12.696 1.00 11.22 N ATOM 95 CA LEU A 6 -0.200 1.385 -13.522 1.00 33.33 C ATOM 96 C LEU A 6 0.447 1.235 -14.895 1.00 3.43 C ATOM 97 O LEU A 6 1.526 1.766 -15.160 1.00 61.24 O ATOM 98 CB LEU A 6 0.329 2.642 -12.830 1.00 12.22 C ATOM 99 CG LEU A 6 -0.098 2.837 -11.374 1.00 40.45 C ATOM 100 CD1 LEU A 6 -1.555 2.443 -11.188 1.00 1.21 C ATOM 101 CD2 LEU A 6 0.797 2.033 -10.444 1.00 25.24 C ATOM 0 H LEU A 6 1.039 0.038 -12.497 1.00 11.22 H new ATOM 0 HA LEU A 6 -1.277 1.479 -13.657 1.00 33.33 H new ATOM 0 HB2 LEU A 6 1.418 2.623 -12.869 1.00 12.22 H new ATOM 0 HB3 LEU A 6 0.005 3.511 -13.402 1.00 12.22 H new ATOM 0 HG LEU A 6 0.006 3.893 -11.123 1.00 40.45 H new ATOM 0 HD11 LEU A 6 -1.841 2.588 -10.146 1.00 1.21 H new ATOM 0 HD12 LEU A 6 -2.184 3.063 -11.827 1.00 1.21 H new ATOM 0 HD13 LEU A 6 -1.686 1.395 -11.457 1.00 1.21 H new ATOM 0 HD21 LEU A 6 0.479 2.184 -9.412 1.00 25.24 H new ATOM 0 HD22 LEU A 6 0.725 0.975 -10.695 1.00 25.24 H new ATOM 0 HD23 LEU A 6 1.830 2.363 -10.557 1.00 25.24 H new ATOM 113 N PRO A 7 -0.226 0.498 -15.790 1.00 32.32 N ATOM 114 CA PRO A 7 0.263 0.264 -17.152 1.00 25.24 C ATOM 115 C PRO A 7 0.217 1.524 -18.009 1.00 10.02 C ATOM 116 O PRO A 7 1.198 2.263 -18.097 1.00 72.53 O ATOM 117 CB PRO A 7 -0.701 -0.791 -17.699 1.00 71.20 C ATOM 118 CG PRO A 7 -1.952 -0.605 -16.912 1.00 73.21 C ATOM 119 CD PRO A 7 -1.518 -0.164 -15.542 1.00 21.33 C ATOM 0 HA PRO A 7 1.307 -0.048 -17.162 1.00 25.24 H new ATOM 0 HB2 PRO A 7 -0.879 -0.650 -18.765 1.00 71.20 H new ATOM 0 HB3 PRO A 7 -0.300 -1.797 -17.573 1.00 71.20 H new ATOM 0 HG2 PRO A 7 -2.597 0.141 -17.376 1.00 73.21 H new ATOM 0 HG3 PRO A 7 -2.522 -1.532 -16.861 1.00 73.21 H new ATOM 0 HD2 PRO A 7 -2.239 0.518 -15.092 1.00 21.33 H new ATOM 0 HD3 PRO A 7 -1.412 -1.010 -14.862 1.00 21.33 H new ATOM 127 N SER A 8 -0.929 1.764 -18.638 1.00 42.04 N ATOM 128 CA SER A 8 -1.102 2.934 -19.492 1.00 23.14 C ATOM 129 C SER A 8 -0.978 4.220 -18.681 1.00 42.51 C ATOM 130 O SER A 8 -1.651 4.394 -17.665 1.00 52.42 O ATOM 131 CB SER A 8 -2.462 2.886 -20.189 1.00 55.01 C ATOM 132 OG SER A 8 -3.210 1.757 -19.772 1.00 30.22 O ATOM 0 H SER A 8 -1.751 1.164 -18.573 1.00 42.04 H new ATOM 0 HA SER A 8 -0.315 2.923 -20.246 1.00 23.14 H new ATOM 0 HB2 SER A 8 -3.019 3.797 -19.969 1.00 55.01 H new ATOM 0 HB3 SER A 8 -2.319 2.853 -21.269 1.00 55.01 H new ATOM 0 HG SER A 8 -4.076 1.751 -20.231 1.00 30.22 H new ATOM 138 N ASP A 9 -0.112 5.119 -19.138 1.00 35.20 N ATOM 139 CA ASP A 9 0.100 6.391 -18.457 1.00 62.21 C ATOM 140 C ASP A 9 1.077 7.267 -19.235 1.00 54.24 C ATOM 141 O ASP A 9 1.836 8.039 -18.650 1.00 41.54 O ATOM 142 CB ASP A 9 0.626 6.154 -17.041 1.00 20.34 C ATOM 143 CG ASP A 9 0.389 7.341 -16.129 1.00 14.34 C ATOM 144 OD1 ASP A 9 -0.772 7.551 -15.717 1.00 41.21 O ATOM 145 OD2 ASP A 9 1.363 8.060 -15.826 1.00 3.34 O ATOM 0 H ASP A 9 0.454 4.990 -19.977 1.00 35.20 H new ATOM 0 HA ASP A 9 -0.858 6.908 -18.399 1.00 62.21 H new ATOM 0 HB2 ASP A 9 0.142 5.273 -16.619 1.00 20.34 H new ATOM 0 HB3 ASP A 9 1.694 5.940 -17.084 1.00 20.34 H new ATOM 150 N VAL A 10 1.052 7.141 -20.559 1.00 11.15 N ATOM 151 CA VAL A 10 1.935 7.921 -21.417 1.00 54.45 C ATOM 152 C VAL A 10 1.934 9.392 -21.015 1.00 25.33 C ATOM 153 O VAL A 10 2.979 10.042 -20.998 1.00 72.24 O ATOM 154 CB VAL A 10 1.524 7.806 -22.897 1.00 73.34 C ATOM 155 CG1 VAL A 10 0.088 8.268 -23.091 1.00 35.13 C ATOM 156 CG2 VAL A 10 2.473 8.605 -23.777 1.00 52.24 C ATOM 0 H VAL A 10 0.430 6.506 -21.060 1.00 11.15 H new ATOM 0 HA VAL A 10 2.938 7.513 -21.292 1.00 54.45 H new ATOM 0 HB VAL A 10 1.586 6.759 -23.192 1.00 73.34 H new ATOM 0 HG11 VAL A 10 -0.184 8.179 -24.143 1.00 35.13 H new ATOM 0 HG12 VAL A 10 -0.578 7.648 -22.491 1.00 35.13 H new ATOM 0 HG13 VAL A 10 -0.005 9.308 -22.779 1.00 35.13 H new ATOM 0 HG21 VAL A 10 2.168 8.512 -24.819 1.00 52.24 H new ATOM 0 HG22 VAL A 10 2.446 9.654 -23.483 1.00 52.24 H new ATOM 0 HG23 VAL A 10 3.487 8.222 -23.661 1.00 52.24 H new ATOM 166 N GLY A 11 0.754 9.911 -20.689 1.00 63.34 N ATOM 167 CA GLY A 11 0.640 11.301 -20.290 1.00 51.34 C ATOM 168 C GLY A 11 1.303 12.243 -21.275 1.00 45.41 C ATOM 169 O GLY A 11 1.507 11.896 -22.439 1.00 31.35 O ATOM 0 H GLY A 11 -0.125 9.393 -20.694 1.00 63.34 H new ATOM 0 HA2 GLY A 11 -0.414 11.563 -20.194 1.00 51.34 H new ATOM 0 HA3 GLY A 11 1.092 11.432 -19.307 1.00 51.34 H new ATOM 173 N LYS A 12 1.641 13.441 -20.810 1.00 0.32 N ATOM 174 CA LYS A 12 2.285 14.438 -21.657 1.00 2.11 C ATOM 175 C LYS A 12 3.570 14.951 -21.013 1.00 74.24 C ATOM 176 O LYS A 12 3.987 14.464 -19.963 1.00 73.35 O ATOM 177 CB LYS A 12 1.332 15.606 -21.920 1.00 3.42 C ATOM 178 CG LYS A 12 0.514 16.009 -20.705 1.00 72.13 C ATOM 179 CD LYS A 12 -0.830 15.300 -20.679 1.00 0.04 C ATOM 180 CE LYS A 12 -1.678 15.757 -19.501 1.00 62.24 C ATOM 181 NZ LYS A 12 -2.129 17.168 -19.657 1.00 24.43 N ATOM 0 H LYS A 12 1.479 13.745 -19.850 1.00 0.32 H new ATOM 0 HA LYS A 12 2.539 13.964 -22.605 1.00 2.11 H new ATOM 0 HB2 LYS A 12 1.909 16.466 -22.260 1.00 3.42 H new ATOM 0 HB3 LYS A 12 0.655 15.336 -22.730 1.00 3.42 H new ATOM 0 HG2 LYS A 12 1.069 15.773 -19.797 1.00 72.13 H new ATOM 0 HG3 LYS A 12 0.358 17.088 -20.712 1.00 72.13 H new ATOM 0 HD2 LYS A 12 -1.363 15.494 -21.610 1.00 0.04 H new ATOM 0 HD3 LYS A 12 -0.673 14.223 -20.620 1.00 0.04 H new ATOM 0 HE2 LYS A 12 -2.547 15.106 -19.405 1.00 62.24 H new ATOM 0 HE3 LYS A 12 -1.103 15.659 -18.580 1.00 62.24 H new ATOM 0 HZ1 LYS A 12 -2.837 17.389 -18.928 1.00 24.43 H new ATOM 0 HZ2 LYS A 12 -1.314 17.806 -19.553 1.00 24.43 H new ATOM 0 HZ3 LYS A 12 -2.551 17.295 -20.599 1.00 24.43 H new ATOM 195 N GLY A 13 4.192 15.938 -21.650 1.00 41.31 N ATOM 196 CA GLY A 13 5.422 16.501 -21.124 1.00 12.21 C ATOM 197 C GLY A 13 6.506 16.611 -22.177 1.00 44.22 C ATOM 198 O GLY A 13 7.617 17.059 -21.892 1.00 0.25 O ATOM 0 H GLY A 13 3.866 16.358 -22.521 1.00 41.31 H new ATOM 0 HA2 GLY A 13 5.218 17.489 -20.712 1.00 12.21 H new ATOM 0 HA3 GLY A 13 5.780 15.881 -20.302 1.00 12.21 H new ATOM 202 N LYS A 14 6.186 16.200 -23.399 1.00 52.03 N ATOM 203 CA LYS A 14 7.141 16.254 -24.500 1.00 75.50 C ATOM 204 C LYS A 14 8.474 15.633 -24.095 1.00 34.23 C ATOM 205 O LYS A 14 9.520 15.974 -24.644 1.00 5.51 O ATOM 206 CB LYS A 14 7.355 17.702 -24.946 1.00 71.55 C ATOM 207 CG LYS A 14 6.306 18.197 -25.927 1.00 1.31 C ATOM 208 CD LYS A 14 4.926 18.242 -25.292 1.00 62.43 C ATOM 209 CE LYS A 14 3.924 18.956 -26.186 1.00 62.34 C ATOM 210 NZ LYS A 14 3.402 18.063 -27.258 1.00 20.12 N ATOM 0 H LYS A 14 5.272 15.825 -23.652 1.00 52.03 H new ATOM 0 HA LYS A 14 6.731 15.681 -25.332 1.00 75.50 H new ATOM 0 HB2 LYS A 14 7.353 18.348 -24.068 1.00 71.55 H new ATOM 0 HB3 LYS A 14 8.340 17.790 -25.405 1.00 71.55 H new ATOM 0 HG2 LYS A 14 6.578 19.192 -26.280 1.00 1.31 H new ATOM 0 HG3 LYS A 14 6.285 17.544 -26.799 1.00 1.31 H new ATOM 0 HD2 LYS A 14 4.581 17.227 -25.096 1.00 62.43 H new ATOM 0 HD3 LYS A 14 4.984 18.751 -24.330 1.00 62.43 H new ATOM 0 HE2 LYS A 14 3.094 19.321 -25.582 1.00 62.34 H new ATOM 0 HE3 LYS A 14 4.397 19.828 -26.638 1.00 62.34 H new ATOM 0 HZ1 LYS A 14 2.722 18.587 -27.846 1.00 20.12 H new ATOM 0 HZ2 LYS A 14 4.191 17.734 -27.851 1.00 20.12 H new ATOM 0 HZ3 LYS A 14 2.928 17.244 -26.827 1.00 20.12 H new ATOM 224 N ALA A 15 8.427 14.718 -23.131 1.00 52.35 N ATOM 225 CA ALA A 15 9.630 14.048 -22.656 1.00 24.33 C ATOM 226 C ALA A 15 9.680 12.602 -23.137 1.00 73.41 C ATOM 227 O ALA A 15 9.619 11.668 -22.337 1.00 14.54 O ATOM 228 CB ALA A 15 9.700 14.103 -21.137 1.00 0.12 C ATOM 0 H ALA A 15 7.569 14.425 -22.665 1.00 52.35 H new ATOM 0 HA ALA A 15 10.493 14.571 -23.068 1.00 24.33 H new ATOM 0 HB1 ALA A 15 10.604 13.598 -20.796 1.00 0.12 H new ATOM 0 HB2 ALA A 15 9.720 15.143 -20.811 1.00 0.12 H new ATOM 0 HB3 ALA A 15 8.826 13.607 -20.714 1.00 0.12 H new ATOM 234 N SER A 16 9.790 12.423 -24.450 1.00 10.04 N ATOM 235 CA SER A 16 9.843 11.090 -25.038 1.00 32.21 C ATOM 236 C SER A 16 10.931 10.248 -24.378 1.00 74.32 C ATOM 237 O SER A 16 12.115 10.397 -24.679 1.00 22.15 O ATOM 238 CB SER A 16 10.097 11.183 -26.544 1.00 4.54 C ATOM 239 OG SER A 16 11.028 12.210 -26.841 1.00 0.04 O ATOM 0 H SER A 16 9.844 13.185 -25.126 1.00 10.04 H new ATOM 0 HA SER A 16 8.881 10.607 -24.869 1.00 32.21 H new ATOM 0 HB2 SER A 16 10.474 10.229 -26.912 1.00 4.54 H new ATOM 0 HB3 SER A 16 9.158 11.377 -27.063 1.00 4.54 H new ATOM 0 HG SER A 16 11.822 12.106 -26.276 1.00 0.04 H new ATOM 245 N PHE A 17 10.519 9.362 -23.477 1.00 22.11 N ATOM 246 CA PHE A 17 11.457 8.496 -22.773 1.00 24.42 C ATOM 247 C PHE A 17 10.753 7.252 -22.238 1.00 1.23 C ATOM 248 O PHE A 17 9.600 7.313 -21.810 1.00 31.24 O ATOM 249 CB PHE A 17 12.120 9.255 -21.622 1.00 2.23 C ATOM 250 CG PHE A 17 13.403 8.631 -21.152 1.00 42.20 C ATOM 251 CD1 PHE A 17 13.387 7.494 -20.360 1.00 52.22 C ATOM 252 CD2 PHE A 17 14.626 9.181 -21.503 1.00 14.24 C ATOM 253 CE1 PHE A 17 14.566 6.919 -19.926 1.00 71.31 C ATOM 254 CE2 PHE A 17 15.808 8.610 -21.072 1.00 21.22 C ATOM 255 CZ PHE A 17 15.778 7.476 -20.283 1.00 41.33 C ATOM 0 H PHE A 17 9.542 9.225 -23.217 1.00 22.11 H new ATOM 0 HA PHE A 17 12.224 8.182 -23.481 1.00 24.42 H new ATOM 0 HB2 PHE A 17 12.318 10.279 -21.939 1.00 2.23 H new ATOM 0 HB3 PHE A 17 11.424 9.310 -20.785 1.00 2.23 H new ATOM 0 HD1 PHE A 17 12.442 7.052 -20.079 1.00 52.22 H new ATOM 0 HD2 PHE A 17 14.655 10.066 -22.121 1.00 14.24 H new ATOM 0 HE1 PHE A 17 14.540 6.034 -19.308 1.00 71.31 H new ATOM 0 HE2 PHE A 17 16.754 9.049 -21.351 1.00 21.22 H new ATOM 0 HZ PHE A 17 16.700 7.026 -19.946 1.00 41.33 H new ATOM 265 N THR A 18 11.455 6.124 -22.266 1.00 20.53 N ATOM 266 CA THR A 18 10.898 4.865 -21.786 1.00 2.11 C ATOM 267 C THR A 18 11.538 4.448 -20.466 1.00 53.53 C ATOM 268 O THR A 18 12.754 4.540 -20.299 1.00 11.21 O ATOM 269 CB THR A 18 11.092 3.736 -22.816 1.00 14.21 C ATOM 270 OG1 THR A 18 11.868 4.210 -23.922 1.00 54.02 O ATOM 271 CG2 THR A 18 9.749 3.223 -23.315 1.00 22.24 C ATOM 0 H THR A 18 12.411 6.056 -22.616 1.00 20.53 H new ATOM 0 HA THR A 18 9.831 5.029 -21.634 1.00 2.11 H new ATOM 0 HB THR A 18 11.619 2.915 -22.329 1.00 14.21 H new ATOM 0 HG1 THR A 18 11.988 3.486 -24.571 1.00 54.02 H new ATOM 0 HG21 THR A 18 9.911 2.426 -24.041 1.00 22.24 H new ATOM 0 HG22 THR A 18 9.172 2.836 -22.475 1.00 22.24 H new ATOM 0 HG23 THR A 18 9.201 4.038 -23.787 1.00 22.24 H new ATOM 279 N ARG A 19 10.711 3.990 -19.532 1.00 70.02 N ATOM 280 CA ARG A 19 11.197 3.560 -18.227 1.00 34.53 C ATOM 281 C ARG A 19 10.711 2.150 -17.904 1.00 33.43 C ATOM 282 O ARG A 19 10.082 1.493 -18.734 1.00 51.22 O ATOM 283 CB ARG A 19 10.733 4.532 -17.140 1.00 73.34 C ATOM 284 CG ARG A 19 11.839 5.433 -16.617 1.00 50.22 C ATOM 285 CD ARG A 19 11.936 6.720 -17.422 1.00 23.03 C ATOM 286 NE ARG A 19 11.850 7.905 -16.572 1.00 33.40 N ATOM 287 CZ ARG A 19 11.507 9.107 -17.020 1.00 51.13 C ATOM 288 NH1 ARG A 19 11.220 9.283 -18.303 1.00 14.14 N ATOM 289 NH2 ARG A 19 11.450 10.137 -16.185 1.00 64.40 N ATOM 0 H ARG A 19 9.702 3.907 -19.655 1.00 70.02 H new ATOM 0 HA ARG A 19 12.287 3.553 -18.257 1.00 34.53 H new ATOM 0 HB2 ARG A 19 9.929 5.151 -17.537 1.00 73.34 H new ATOM 0 HB3 ARG A 19 10.316 3.963 -16.309 1.00 73.34 H new ATOM 0 HG2 ARG A 19 11.652 5.671 -15.570 1.00 50.22 H new ATOM 0 HG3 ARG A 19 12.791 4.904 -16.658 1.00 50.22 H new ATOM 0 HD2 ARG A 19 12.878 6.735 -17.970 1.00 23.03 H new ATOM 0 HD3 ARG A 19 11.136 6.746 -18.162 1.00 23.03 H new ATOM 0 HE ARG A 19 12.065 7.804 -15.580 1.00 33.40 H new ATOM 0 HH11 ARG A 19 11.262 8.494 -18.948 1.00 14.14 H new ATOM 0 HH12 ARG A 19 10.957 10.207 -18.645 1.00 14.14 H new ATOM 0 HH21 ARG A 19 11.670 10.006 -15.198 1.00 64.40 H new ATOM 0 HH22 ARG A 19 11.186 11.060 -16.531 1.00 64.40 H new ATOM 303 N TYR A 20 11.007 1.690 -16.693 1.00 10.40 N ATOM 304 CA TYR A 20 10.603 0.358 -16.261 1.00 62.42 C ATOM 305 C TYR A 20 9.582 0.437 -15.131 1.00 11.34 C ATOM 306 O TYR A 20 9.820 1.080 -14.108 1.00 21.44 O ATOM 307 CB TYR A 20 11.823 -0.445 -15.806 1.00 20.22 C ATOM 308 CG TYR A 20 12.780 -0.780 -16.927 1.00 65.11 C ATOM 309 CD1 TYR A 20 13.536 0.211 -17.541 1.00 60.24 C ATOM 310 CD2 TYR A 20 12.930 -2.088 -17.371 1.00 62.15 C ATOM 311 CE1 TYR A 20 14.411 -0.091 -18.567 1.00 3.33 C ATOM 312 CE2 TYR A 20 13.804 -2.399 -18.395 1.00 63.11 C ATOM 313 CZ TYR A 20 14.542 -1.397 -18.990 1.00 1.02 C ATOM 314 OH TYR A 20 15.414 -1.702 -20.010 1.00 1.41 O ATOM 0 H TYR A 20 11.526 2.221 -15.993 1.00 10.40 H new ATOM 0 HA TYR A 20 10.140 -0.146 -17.109 1.00 62.42 H new ATOM 0 HB2 TYR A 20 12.356 0.121 -15.042 1.00 20.22 H new ATOM 0 HB3 TYR A 20 11.485 -1.370 -15.339 1.00 20.22 H new ATOM 0 HD1 TYR A 20 13.438 1.235 -17.211 1.00 60.24 H new ATOM 0 HD2 TYR A 20 12.354 -2.875 -16.908 1.00 62.15 H new ATOM 0 HE1 TYR A 20 14.989 0.692 -19.035 1.00 3.33 H new ATOM 0 HE2 TYR A 20 13.909 -3.421 -18.728 1.00 63.11 H new ATOM 0 HH TYR A 20 15.388 -2.666 -20.186 1.00 1.41 H new ATOM 324 N TYR A 21 8.444 -0.220 -15.323 1.00 60.50 N ATOM 325 CA TYR A 21 7.384 -0.224 -14.321 1.00 44.25 C ATOM 326 C TYR A 21 6.952 -1.649 -13.991 1.00 14.11 C ATOM 327 O TYR A 21 7.161 -2.572 -14.778 1.00 51.14 O ATOM 328 CB TYR A 21 6.183 0.584 -14.817 1.00 24.14 C ATOM 329 CG TYR A 21 5.274 -0.190 -15.744 1.00 32.13 C ATOM 330 CD1 TYR A 21 5.603 -0.370 -17.082 1.00 13.15 C ATOM 331 CD2 TYR A 21 4.086 -0.743 -15.281 1.00 54.43 C ATOM 332 CE1 TYR A 21 4.774 -1.076 -17.932 1.00 41.31 C ATOM 333 CE2 TYR A 21 3.252 -1.451 -16.124 1.00 74.34 C ATOM 334 CZ TYR A 21 3.600 -1.615 -17.449 1.00 10.41 C ATOM 335 OH TYR A 21 2.773 -2.320 -18.293 1.00 14.42 O ATOM 0 H TYR A 21 8.231 -0.757 -16.164 1.00 60.50 H new ATOM 0 HA TYR A 21 7.774 0.237 -13.413 1.00 44.25 H new ATOM 0 HB2 TYR A 21 5.606 0.926 -13.958 1.00 24.14 H new ATOM 0 HB3 TYR A 21 6.543 1.474 -15.334 1.00 24.14 H new ATOM 0 HD1 TYR A 21 6.522 0.049 -17.464 1.00 13.15 H new ATOM 0 HD2 TYR A 21 3.810 -0.617 -14.244 1.00 54.43 H new ATOM 0 HE1 TYR A 21 5.044 -1.205 -18.970 1.00 41.31 H new ATOM 0 HE2 TYR A 21 2.332 -1.874 -15.748 1.00 74.34 H new ATOM 0 HH TYR A 21 1.989 -2.634 -17.796 1.00 14.42 H new ATOM 345 N TYR A 22 6.346 -1.820 -12.821 1.00 4.21 N ATOM 346 CA TYR A 22 5.885 -3.132 -12.384 1.00 11.15 C ATOM 347 C TYR A 22 4.363 -3.224 -12.448 1.00 44.24 C ATOM 348 O TYR A 22 3.659 -2.257 -12.161 1.00 4.13 O ATOM 349 CB TYR A 22 6.364 -3.415 -10.959 1.00 32.43 C ATOM 350 CG TYR A 22 6.465 -4.889 -10.636 1.00 32.02 C ATOM 351 CD1 TYR A 22 5.324 -5.658 -10.443 1.00 71.11 C ATOM 352 CD2 TYR A 22 7.702 -5.512 -10.524 1.00 74.54 C ATOM 353 CE1 TYR A 22 5.412 -7.005 -10.147 1.00 52.42 C ATOM 354 CE2 TYR A 22 7.799 -6.859 -10.230 1.00 50.22 C ATOM 355 CZ TYR A 22 6.651 -7.600 -10.042 1.00 23.40 C ATOM 356 OH TYR A 22 6.743 -8.942 -9.749 1.00 10.33 O ATOM 0 H TYR A 22 6.163 -1.066 -12.159 1.00 4.21 H new ATOM 0 HA TYR A 22 6.305 -3.879 -13.057 1.00 11.15 H new ATOM 0 HB2 TYR A 22 7.340 -2.952 -10.814 1.00 32.43 H new ATOM 0 HB3 TYR A 22 5.680 -2.943 -10.254 1.00 32.43 H new ATOM 0 HD1 TYR A 22 4.352 -5.195 -10.526 1.00 71.11 H new ATOM 0 HD2 TYR A 22 8.603 -4.934 -10.669 1.00 74.54 H new ATOM 0 HE1 TYR A 22 4.515 -7.588 -9.999 1.00 52.42 H new ATOM 0 HE2 TYR A 22 8.768 -7.329 -10.148 1.00 50.22 H new ATOM 0 HH TYR A 22 6.496 -9.467 -10.539 1.00 10.33 H new ATOM 366 N ASN A 23 3.864 -4.395 -12.828 1.00 74.24 N ATOM 367 CA ASN A 23 2.426 -4.615 -12.932 1.00 34.45 C ATOM 368 C ASN A 23 1.984 -5.758 -12.023 1.00 33.43 C ATOM 369 O ASN A 23 2.512 -6.867 -12.103 1.00 34.01 O ATOM 370 CB ASN A 23 2.038 -4.921 -14.380 1.00 20.33 C ATOM 371 CG ASN A 23 3.151 -5.614 -15.142 1.00 41.32 C ATOM 372 OD1 ASN A 23 3.183 -6.841 -15.239 1.00 14.44 O ATOM 373 ND2 ASN A 23 4.072 -4.828 -15.688 1.00 52.22 N ATOM 0 H ASN A 23 4.434 -5.206 -13.069 1.00 74.24 H new ATOM 0 HA ASN A 23 1.921 -3.704 -12.613 1.00 34.45 H new ATOM 0 HB2 ASN A 23 1.148 -5.550 -14.390 1.00 20.33 H new ATOM 0 HB3 ASN A 23 1.777 -3.992 -14.888 1.00 20.33 H new ATOM 0 HD21 ASN A 23 4.845 -5.237 -16.213 1.00 52.22 H new ATOM 0 HD22 ASN A 23 4.006 -3.816 -15.582 1.00 52.22 H new ATOM 380 N GLU A 24 1.012 -5.479 -11.160 1.00 33.32 N ATOM 381 CA GLU A 24 0.499 -6.485 -10.236 1.00 44.50 C ATOM 382 C GLU A 24 -0.464 -7.433 -10.944 1.00 13.24 C ATOM 383 O GLU A 24 -0.537 -8.617 -10.617 1.00 13.23 O ATOM 384 CB GLU A 24 -0.204 -5.813 -9.055 1.00 51.50 C ATOM 385 CG GLU A 24 -1.224 -6.704 -8.366 1.00 63.14 C ATOM 386 CD GLU A 24 -0.625 -8.012 -7.886 1.00 50.02 C ATOM 387 OE1 GLU A 24 0.616 -8.089 -7.774 1.00 24.54 O ATOM 388 OE2 GLU A 24 -1.397 -8.957 -7.623 1.00 71.44 O ATOM 0 H GLU A 24 0.564 -4.566 -11.081 1.00 33.32 H new ATOM 0 HA GLU A 24 1.344 -7.065 -9.864 1.00 44.50 H new ATOM 0 HB2 GLU A 24 0.545 -5.502 -8.327 1.00 51.50 H new ATOM 0 HB3 GLU A 24 -0.702 -4.909 -9.406 1.00 51.50 H new ATOM 0 HG2 GLU A 24 -1.652 -6.171 -7.517 1.00 63.14 H new ATOM 0 HG3 GLU A 24 -2.042 -6.914 -9.055 1.00 63.14 H new ATOM 395 N GLU A 25 -1.202 -6.902 -11.914 1.00 21.20 N ATOM 396 CA GLU A 25 -2.162 -7.701 -12.667 1.00 11.15 C ATOM 397 C GLU A 25 -1.548 -9.032 -13.091 1.00 35.24 C ATOM 398 O GLU A 25 -2.235 -10.052 -13.153 1.00 24.30 O ATOM 399 CB GLU A 25 -2.643 -6.933 -13.899 1.00 40.24 C ATOM 400 CG GLU A 25 -3.801 -5.991 -13.616 1.00 75.32 C ATOM 401 CD GLU A 25 -4.269 -5.252 -14.855 1.00 64.01 C ATOM 402 OE1 GLU A 25 -3.682 -5.473 -15.935 1.00 73.21 O ATOM 403 OE2 GLU A 25 -5.221 -4.452 -14.744 1.00 34.21 O ATOM 0 H GLU A 25 -1.154 -5.923 -12.197 1.00 21.20 H new ATOM 0 HA GLU A 25 -3.015 -7.904 -12.019 1.00 11.15 H new ATOM 0 HB2 GLU A 25 -1.811 -6.359 -14.307 1.00 40.24 H new ATOM 0 HB3 GLU A 25 -2.945 -7.646 -14.666 1.00 40.24 H new ATOM 0 HG2 GLU A 25 -4.633 -6.559 -13.200 1.00 75.32 H new ATOM 0 HG3 GLU A 25 -3.499 -5.268 -12.859 1.00 75.32 H new ATOM 410 N SER A 26 -0.252 -9.013 -13.382 1.00 23.44 N ATOM 411 CA SER A 26 0.454 -10.217 -13.804 1.00 65.22 C ATOM 412 C SER A 26 1.646 -10.496 -12.893 1.00 44.24 C ATOM 413 O SER A 26 2.279 -11.547 -12.984 1.00 35.33 O ATOM 414 CB SER A 26 0.927 -10.075 -15.252 1.00 40.03 C ATOM 415 OG SER A 26 2.042 -9.204 -15.342 1.00 35.31 O ATOM 0 H SER A 26 0.331 -8.177 -13.333 1.00 23.44 H new ATOM 0 HA SER A 26 -0.238 -11.057 -13.735 1.00 65.22 H new ATOM 0 HB2 SER A 26 1.194 -11.055 -15.648 1.00 40.03 H new ATOM 0 HB3 SER A 26 0.113 -9.693 -15.868 1.00 40.03 H new ATOM 0 HG SER A 26 1.739 -8.275 -15.263 1.00 35.31 H new ATOM 421 N GLY A 27 1.947 -9.544 -12.015 1.00 44.01 N ATOM 422 CA GLY A 27 3.062 -9.705 -11.100 1.00 43.31 C ATOM 423 C GLY A 27 4.400 -9.725 -11.813 1.00 55.25 C ATOM 424 O GLY A 27 5.339 -10.386 -11.370 1.00 73.22 O ATOM 0 H GLY A 27 1.439 -8.665 -11.921 1.00 44.01 H new ATOM 0 HA2 GLY A 27 3.053 -8.892 -10.374 1.00 43.31 H new ATOM 0 HA3 GLY A 27 2.938 -10.632 -10.541 1.00 43.31 H new ATOM 428 N LYS A 28 4.487 -9.000 -12.923 1.00 42.44 N ATOM 429 CA LYS A 28 5.719 -8.936 -13.701 1.00 72.22 C ATOM 430 C LYS A 28 6.145 -7.489 -13.929 1.00 31.35 C ATOM 431 O LYS A 28 5.407 -6.557 -13.609 1.00 2.42 O ATOM 432 CB LYS A 28 5.534 -9.642 -15.046 1.00 54.25 C ATOM 433 CG LYS A 28 4.794 -10.965 -14.943 1.00 2.42 C ATOM 434 CD LYS A 28 5.573 -11.975 -14.117 1.00 75.11 C ATOM 435 CE LYS A 28 5.247 -13.402 -14.531 1.00 31.11 C ATOM 436 NZ LYS A 28 4.537 -14.144 -13.452 1.00 61.14 N ATOM 0 H LYS A 28 3.719 -8.448 -13.304 1.00 42.44 H new ATOM 0 HA LYS A 28 6.502 -9.442 -13.136 1.00 72.22 H new ATOM 0 HB2 LYS A 28 4.989 -8.982 -15.721 1.00 54.25 H new ATOM 0 HB3 LYS A 28 6.513 -9.817 -15.493 1.00 54.25 H new ATOM 0 HG2 LYS A 28 3.815 -10.802 -14.492 1.00 2.42 H new ATOM 0 HG3 LYS A 28 4.622 -11.366 -15.942 1.00 2.42 H new ATOM 0 HD2 LYS A 28 6.642 -11.796 -14.234 1.00 75.11 H new ATOM 0 HD3 LYS A 28 5.341 -11.839 -13.061 1.00 75.11 H new ATOM 0 HE2 LYS A 28 4.629 -13.388 -15.429 1.00 31.11 H new ATOM 0 HE3 LYS A 28 6.168 -13.926 -14.786 1.00 31.11 H new ATOM 0 HZ1 LYS A 28 4.333 -15.112 -13.773 1.00 61.14 H new ATOM 0 HZ2 LYS A 28 5.137 -14.180 -12.603 1.00 61.14 H new ATOM 0 HZ3 LYS A 28 3.645 -13.659 -13.226 1.00 61.14 H new ATOM 450 N CYS A 29 7.339 -7.309 -14.484 1.00 35.12 N ATOM 451 CA CYS A 29 7.863 -5.976 -14.755 1.00 72.14 C ATOM 452 C CYS A 29 8.225 -5.824 -16.230 1.00 22.01 C ATOM 453 O CYS A 29 8.667 -6.776 -16.871 1.00 65.44 O ATOM 454 CB CYS A 29 9.091 -5.702 -13.886 1.00 4.41 C ATOM 455 SG CYS A 29 9.795 -4.034 -14.097 1.00 74.55 S ATOM 0 H CYS A 29 7.962 -8.070 -14.755 1.00 35.12 H new ATOM 0 HA CYS A 29 7.086 -5.251 -14.513 1.00 72.14 H new ATOM 0 HB2 CYS A 29 8.820 -5.841 -12.839 1.00 4.41 H new ATOM 0 HB3 CYS A 29 9.859 -6.441 -14.117 1.00 4.41 H new ATOM 460 N GLU A 30 8.034 -4.620 -16.759 1.00 44.34 N ATOM 461 CA GLU A 30 8.341 -4.344 -18.158 1.00 52.40 C ATOM 462 C GLU A 30 8.663 -2.866 -18.363 1.00 71.21 C ATOM 463 O GLU A 30 8.773 -2.103 -17.403 1.00 31.13 O ATOM 464 CB GLU A 30 7.166 -4.749 -19.050 1.00 72.33 C ATOM 465 CG GLU A 30 7.291 -6.152 -19.622 1.00 5.51 C ATOM 466 CD GLU A 30 8.448 -6.284 -20.594 1.00 53.20 C ATOM 467 OE1 GLU A 30 8.361 -5.709 -21.699 1.00 43.43 O ATOM 468 OE2 GLU A 30 9.438 -6.962 -20.250 1.00 61.02 O ATOM 0 H GLU A 30 7.669 -3.821 -16.241 1.00 44.34 H new ATOM 0 HA GLU A 30 9.217 -4.931 -18.434 1.00 52.40 H new ATOM 0 HB2 GLU A 30 6.243 -4.682 -18.474 1.00 72.33 H new ATOM 0 HB3 GLU A 30 7.082 -4.037 -19.871 1.00 72.33 H new ATOM 0 HG2 GLU A 30 7.424 -6.863 -18.806 1.00 5.51 H new ATOM 0 HG3 GLU A 30 6.363 -6.418 -20.129 1.00 5.51 H new ATOM 475 N THR A 31 8.814 -2.469 -19.623 1.00 11.43 N ATOM 476 CA THR A 31 9.125 -1.084 -19.955 1.00 61.22 C ATOM 477 C THR A 31 7.912 -0.375 -20.547 1.00 4.11 C ATOM 478 O THR A 31 7.025 -1.011 -21.115 1.00 73.14 O ATOM 479 CB THR A 31 10.295 -0.995 -20.953 1.00 60.52 C ATOM 480 OG1 THR A 31 10.280 -2.129 -21.828 1.00 22.34 O ATOM 481 CG2 THR A 31 11.627 -0.931 -20.221 1.00 50.42 C ATOM 0 H THR A 31 8.726 -3.087 -20.430 1.00 11.43 H new ATOM 0 HA THR A 31 9.412 -0.593 -19.025 1.00 61.22 H new ATOM 0 HB THR A 31 10.176 -0.083 -21.538 1.00 60.52 H new ATOM 0 HG1 THR A 31 11.026 -2.064 -22.460 1.00 22.34 H new ATOM 0 HG21 THR A 31 12.438 -0.869 -20.946 1.00 50.42 H new ATOM 0 HG22 THR A 31 11.647 -0.051 -19.578 1.00 50.42 H new ATOM 0 HG23 THR A 31 11.752 -1.827 -19.613 1.00 50.42 H new ATOM 489 N PHE A 32 7.881 0.947 -20.410 1.00 72.44 N ATOM 490 CA PHE A 32 6.776 1.743 -20.932 1.00 31.23 C ATOM 491 C PHE A 32 7.241 3.153 -21.285 1.00 34.43 C ATOM 492 O PHE A 32 8.281 3.611 -20.812 1.00 10.22 O ATOM 493 CB PHE A 32 5.640 1.809 -19.909 1.00 1.24 C ATOM 494 CG PHE A 32 4.401 2.478 -20.431 1.00 51.03 C ATOM 495 CD1 PHE A 32 3.666 1.902 -21.455 1.00 44.24 C ATOM 496 CD2 PHE A 32 3.970 3.682 -19.898 1.00 43.21 C ATOM 497 CE1 PHE A 32 2.526 2.516 -21.939 1.00 3.14 C ATOM 498 CE2 PHE A 32 2.831 4.301 -20.377 1.00 74.40 C ATOM 499 CZ PHE A 32 2.107 3.716 -21.398 1.00 22.01 C ATOM 0 H PHE A 32 8.608 1.489 -19.942 1.00 72.44 H new ATOM 0 HA PHE A 32 6.411 1.262 -21.840 1.00 31.23 H new ATOM 0 HB2 PHE A 32 5.390 0.797 -19.590 1.00 1.24 H new ATOM 0 HB3 PHE A 32 5.988 2.345 -19.026 1.00 1.24 H new ATOM 0 HD1 PHE A 32 3.988 0.963 -21.880 1.00 44.24 H new ATOM 0 HD2 PHE A 32 4.531 4.143 -19.098 1.00 43.21 H new ATOM 0 HE1 PHE A 32 1.964 2.058 -22.739 1.00 3.14 H new ATOM 0 HE2 PHE A 32 2.507 5.240 -19.954 1.00 74.40 H new ATOM 0 HZ PHE A 32 1.215 4.196 -21.773 1.00 22.01 H new ATOM 509 N ILE A 33 6.463 3.834 -22.119 1.00 34.01 N ATOM 510 CA ILE A 33 6.794 5.191 -22.535 1.00 55.11 C ATOM 511 C ILE A 33 6.215 6.219 -21.568 1.00 64.04 C ATOM 512 O ILE A 33 4.999 6.319 -21.407 1.00 10.23 O ATOM 513 CB ILE A 33 6.273 5.488 -23.954 1.00 31.41 C ATOM 514 CG1 ILE A 33 6.667 4.361 -24.911 1.00 43.23 C ATOM 515 CG2 ILE A 33 6.811 6.822 -24.447 1.00 40.34 C ATOM 516 CD1 ILE A 33 5.490 3.555 -25.414 1.00 11.14 C ATOM 0 H ILE A 33 5.599 3.468 -22.520 1.00 34.01 H new ATOM 0 HA ILE A 33 7.881 5.265 -22.533 1.00 55.11 H new ATOM 0 HB ILE A 33 5.185 5.548 -23.921 1.00 31.41 H new ATOM 0 HG12 ILE A 33 7.195 4.788 -25.764 1.00 43.23 H new ATOM 0 HG13 ILE A 33 7.364 3.693 -24.405 1.00 43.23 H new ATOM 0 HG21 ILE A 33 6.434 7.018 -25.451 1.00 40.34 H new ATOM 0 HG22 ILE A 33 6.485 7.616 -23.776 1.00 40.34 H new ATOM 0 HG23 ILE A 33 7.900 6.789 -24.468 1.00 40.34 H new ATOM 0 HD11 ILE A 33 5.845 2.774 -26.087 1.00 11.14 H new ATOM 0 HD12 ILE A 33 4.974 3.099 -24.569 1.00 11.14 H new ATOM 0 HD13 ILE A 33 4.802 4.210 -25.949 1.00 11.14 H new ATOM 528 N TYR A 34 7.095 6.982 -20.929 1.00 61.03 N ATOM 529 CA TYR A 34 6.673 8.003 -19.978 1.00 34.43 C ATOM 530 C TYR A 34 6.983 9.400 -20.504 1.00 52.45 C ATOM 531 O TYR A 34 7.873 9.580 -21.335 1.00 14.12 O ATOM 532 CB TYR A 34 7.362 7.789 -18.629 1.00 41.11 C ATOM 533 CG TYR A 34 6.858 8.708 -17.539 1.00 61.11 C ATOM 534 CD1 TYR A 34 5.638 8.476 -16.917 1.00 12.12 C ATOM 535 CD2 TYR A 34 7.603 9.808 -17.131 1.00 21.50 C ATOM 536 CE1 TYR A 34 5.173 9.313 -15.921 1.00 42.42 C ATOM 537 CE2 TYR A 34 7.147 10.649 -16.135 1.00 41.41 C ATOM 538 CZ TYR A 34 5.931 10.398 -15.534 1.00 5.54 C ATOM 539 OH TYR A 34 5.473 11.234 -14.541 1.00 51.12 O ATOM 0 H TYR A 34 8.105 6.913 -21.053 1.00 61.03 H new ATOM 0 HA TYR A 34 5.595 7.916 -19.846 1.00 34.43 H new ATOM 0 HB2 TYR A 34 7.217 6.755 -18.317 1.00 41.11 H new ATOM 0 HB3 TYR A 34 8.435 7.938 -18.751 1.00 41.11 H new ATOM 0 HD1 TYR A 34 5.042 7.627 -17.217 1.00 12.12 H new ATOM 0 HD2 TYR A 34 8.555 10.009 -17.601 1.00 21.50 H new ATOM 0 HE1 TYR A 34 4.222 9.119 -15.448 1.00 42.42 H new ATOM 0 HE2 TYR A 34 7.739 11.499 -15.828 1.00 41.41 H new ATOM 0 HH TYR A 34 4.925 11.943 -14.937 1.00 51.12 H new ATOM 549 N GLY A 35 6.241 10.389 -20.014 1.00 20.12 N ATOM 550 CA GLY A 35 6.451 11.759 -20.445 1.00 62.41 C ATOM 551 C GLY A 35 7.155 12.595 -19.395 1.00 41.43 C ATOM 552 O GLY A 35 8.224 12.226 -18.911 1.00 40.01 O ATOM 0 H GLY A 35 5.498 10.266 -19.326 1.00 20.12 H new ATOM 0 HA2 GLY A 35 7.040 11.762 -21.362 1.00 62.41 H new ATOM 0 HA3 GLY A 35 5.489 12.214 -20.682 1.00 62.41 H new ATOM 556 N GLY A 36 6.555 13.728 -19.043 1.00 54.42 N ATOM 557 CA GLY A 36 7.146 14.603 -18.048 1.00 2.12 C ATOM 558 C GLY A 36 6.104 15.340 -17.231 1.00 13.04 C ATOM 559 O GLY A 36 6.420 16.298 -16.526 1.00 3.34 O ATOM 0 H GLY A 36 5.670 14.055 -19.430 1.00 54.42 H new ATOM 0 HA2 GLY A 36 7.777 14.016 -17.381 1.00 2.12 H new ATOM 0 HA3 GLY A 36 7.793 15.327 -18.544 1.00 2.12 H new ATOM 563 N VAL A 37 4.855 14.894 -17.326 1.00 22.53 N ATOM 564 CA VAL A 37 3.762 15.517 -16.590 1.00 0.42 C ATOM 565 C VAL A 37 3.376 14.687 -15.371 1.00 2.44 C ATOM 566 O VAL A 37 3.772 13.530 -15.244 1.00 63.41 O ATOM 567 CB VAL A 37 2.521 15.707 -17.482 1.00 71.41 C ATOM 568 CG1 VAL A 37 1.672 14.445 -17.491 1.00 31.53 C ATOM 569 CG2 VAL A 37 1.707 16.904 -17.015 1.00 33.54 C ATOM 0 H VAL A 37 4.575 14.103 -17.906 1.00 22.53 H new ATOM 0 HA VAL A 37 4.118 16.494 -16.262 1.00 0.42 H new ATOM 0 HB VAL A 37 2.854 15.899 -18.502 1.00 71.41 H new ATOM 0 HG11 VAL A 37 0.800 14.598 -18.126 1.00 31.53 H new ATOM 0 HG12 VAL A 37 2.261 13.613 -17.877 1.00 31.53 H new ATOM 0 HG13 VAL A 37 1.346 14.218 -16.476 1.00 31.53 H new ATOM 0 HG21 VAL A 37 0.834 17.023 -17.657 1.00 33.54 H new ATOM 0 HG22 VAL A 37 1.382 16.744 -15.987 1.00 33.54 H new ATOM 0 HG23 VAL A 37 2.320 17.804 -17.066 1.00 33.54 H new ATOM 579 N GLY A 38 2.599 15.288 -14.474 1.00 42.12 N ATOM 580 CA GLY A 38 2.172 14.590 -13.276 1.00 71.51 C ATOM 581 C GLY A 38 1.169 13.492 -13.572 1.00 22.25 C ATOM 582 O GLY A 38 -0.039 13.701 -13.471 1.00 41.41 O ATOM 0 H GLY A 38 2.258 16.246 -14.556 1.00 42.12 H new ATOM 0 HA2 GLY A 38 3.042 14.159 -12.780 1.00 71.51 H new ATOM 0 HA3 GLY A 38 1.730 15.304 -12.581 1.00 71.51 H new ATOM 586 N GLY A 39 1.671 12.317 -13.939 1.00 63.31 N ATOM 587 CA GLY A 39 0.797 11.200 -14.246 1.00 61.24 C ATOM 588 C GLY A 39 1.113 9.971 -13.417 1.00 11.12 C ATOM 589 O GLY A 39 2.126 9.928 -12.721 1.00 65.51 O ATOM 0 H GLY A 39 2.667 12.119 -14.029 1.00 63.31 H new ATOM 0 HA2 GLY A 39 -0.238 11.495 -14.073 1.00 61.24 H new ATOM 0 HA3 GLY A 39 0.886 10.953 -15.304 1.00 61.24 H new ATOM 593 N ASN A 40 0.241 8.970 -13.489 1.00 43.21 N ATOM 594 CA ASN A 40 0.431 7.735 -12.737 1.00 4.42 C ATOM 595 C ASN A 40 1.670 6.988 -13.222 1.00 1.24 C ATOM 596 O ASN A 40 2.705 7.595 -13.498 1.00 21.23 O ATOM 597 CB ASN A 40 -0.802 6.839 -12.867 1.00 41.40 C ATOM 598 CG ASN A 40 -2.096 7.630 -12.850 1.00 44.45 C ATOM 599 OD1 ASN A 40 -2.277 8.528 -12.028 1.00 3.31 O ATOM 600 ND2 ASN A 40 -3.003 7.299 -13.762 1.00 11.33 N ATOM 0 H ASN A 40 -0.604 8.990 -14.060 1.00 43.21 H new ATOM 0 HA ASN A 40 0.573 7.996 -11.688 1.00 4.42 H new ATOM 0 HB2 ASN A 40 -0.739 6.271 -13.795 1.00 41.40 H new ATOM 0 HB3 ASN A 40 -0.810 6.116 -12.051 1.00 41.40 H new ATOM 0 HD21 ASN A 40 -3.893 7.796 -13.800 1.00 11.33 H new ATOM 0 HD22 ASN A 40 -2.810 6.547 -14.424 1.00 11.33 H new ATOM 607 N SER A 41 1.556 5.668 -13.323 1.00 61.20 N ATOM 608 CA SER A 41 2.667 4.837 -13.771 1.00 63.14 C ATOM 609 C SER A 41 3.788 4.823 -12.736 1.00 52.20 C ATOM 610 O SER A 41 4.451 5.834 -12.510 1.00 13.44 O ATOM 611 CB SER A 41 3.203 5.344 -15.112 1.00 35.00 C ATOM 612 OG SER A 41 4.608 5.517 -15.067 1.00 63.34 O ATOM 0 H SER A 41 0.705 5.151 -13.101 1.00 61.20 H new ATOM 0 HA SER A 41 2.298 3.819 -13.896 1.00 63.14 H new ATOM 0 HB2 SER A 41 2.946 4.637 -15.901 1.00 35.00 H new ATOM 0 HB3 SER A 41 2.725 6.291 -15.364 1.00 35.00 H new ATOM 0 HG SER A 41 4.832 6.201 -14.402 1.00 63.34 H new ATOM 618 N ASN A 42 3.993 3.669 -12.110 1.00 75.42 N ATOM 619 CA ASN A 42 5.032 3.522 -11.098 1.00 20.21 C ATOM 620 C ASN A 42 6.360 3.124 -11.735 1.00 51.33 C ATOM 621 O ASN A 42 7.155 2.400 -11.138 1.00 13.35 O ATOM 622 CB ASN A 42 4.618 2.476 -10.060 1.00 44.41 C ATOM 623 CG ASN A 42 5.127 2.808 -8.671 1.00 11.45 C ATOM 624 OD1 ASN A 42 5.133 3.969 -8.261 1.00 3.23 O ATOM 625 ND2 ASN A 42 5.557 1.787 -7.938 1.00 52.34 N ATOM 0 H ASN A 42 3.453 2.822 -12.286 1.00 75.42 H new ATOM 0 HA ASN A 42 5.161 4.485 -10.603 1.00 20.21 H new ATOM 0 HB2 ASN A 42 3.531 2.401 -10.037 1.00 44.41 H new ATOM 0 HB3 ASN A 42 4.999 1.500 -10.360 1.00 44.41 H new ATOM 0 HD21 ASN A 42 5.910 1.949 -6.995 1.00 52.34 H new ATOM 0 HD22 ASN A 42 5.534 0.841 -8.318 1.00 52.34 H new ATOM 632 N ASN A 43 6.593 3.604 -12.953 1.00 33.02 N ATOM 633 CA ASN A 43 7.824 3.299 -13.672 1.00 23.11 C ATOM 634 C ASN A 43 9.043 3.787 -12.895 1.00 21.54 C ATOM 635 O ASN A 43 8.933 4.192 -11.737 1.00 64.03 O ATOM 636 CB ASN A 43 7.801 3.941 -15.061 1.00 32.43 C ATOM 637 CG ASN A 43 7.952 5.448 -15.003 1.00 44.45 C ATOM 638 OD1 ASN A 43 7.912 6.047 -13.928 1.00 42.15 O ATOM 639 ND2 ASN A 43 8.128 6.070 -16.164 1.00 33.30 N ATOM 0 H ASN A 43 5.945 4.205 -13.462 1.00 33.02 H new ATOM 0 HA ASN A 43 7.893 2.217 -13.780 1.00 23.11 H new ATOM 0 HB2 ASN A 43 8.605 3.521 -15.666 1.00 32.43 H new ATOM 0 HB3 ASN A 43 6.864 3.691 -15.558 1.00 32.43 H new ATOM 0 HD21 ASN A 43 8.236 7.084 -16.188 1.00 33.30 H new ATOM 0 HD22 ASN A 43 8.155 5.533 -17.031 1.00 33.30 H new ATOM 646 N PHE A 44 10.205 3.745 -13.539 1.00 74.30 N ATOM 647 CA PHE A 44 11.445 4.182 -12.909 1.00 32.23 C ATOM 648 C PHE A 44 12.602 4.144 -13.902 1.00 44.41 C ATOM 649 O PHE A 44 12.623 3.322 -14.819 1.00 34.12 O ATOM 650 CB PHE A 44 11.766 3.300 -11.700 1.00 61.24 C ATOM 651 CG PHE A 44 12.153 4.078 -10.476 1.00 4.52 C ATOM 652 CD1 PHE A 44 13.355 4.766 -10.428 1.00 1.54 C ATOM 653 CD2 PHE A 44 11.316 4.123 -9.373 1.00 74.12 C ATOM 654 CE1 PHE A 44 13.714 5.483 -9.302 1.00 2.13 C ATOM 655 CE2 PHE A 44 11.669 4.838 -8.244 1.00 42.25 C ATOM 656 CZ PHE A 44 12.870 5.520 -8.209 1.00 53.03 C ATOM 0 H PHE A 44 10.313 3.413 -14.497 1.00 74.30 H new ATOM 0 HA PHE A 44 11.311 5.211 -12.574 1.00 32.23 H new ATOM 0 HB2 PHE A 44 10.897 2.684 -11.469 1.00 61.24 H new ATOM 0 HB3 PHE A 44 12.578 2.621 -11.961 1.00 61.24 H new ATOM 0 HD1 PHE A 44 14.019 4.742 -11.280 1.00 1.54 H new ATOM 0 HD2 PHE A 44 10.376 3.593 -9.396 1.00 74.12 H new ATOM 0 HE1 PHE A 44 14.654 6.014 -9.277 1.00 2.13 H new ATOM 0 HE2 PHE A 44 11.007 4.863 -7.391 1.00 42.25 H new ATOM 0 HZ PHE A 44 13.148 6.081 -7.329 1.00 53.03 H new ATOM 666 N LEU A 45 13.565 5.041 -13.714 1.00 34.32 N ATOM 667 CA LEU A 45 14.727 5.112 -14.593 1.00 34.20 C ATOM 668 C LEU A 45 15.679 3.949 -14.332 1.00 52.11 C ATOM 669 O LEU A 45 16.728 3.837 -14.966 1.00 64.04 O ATOM 670 CB LEU A 45 15.459 6.440 -14.396 1.00 3.11 C ATOM 671 CG LEU A 45 14.711 7.693 -14.851 1.00 51.42 C ATOM 672 CD1 LEU A 45 13.785 8.191 -13.752 1.00 73.33 C ATOM 673 CD2 LEU A 45 15.693 8.783 -15.257 1.00 73.24 C ATOM 0 H LEU A 45 13.564 5.729 -12.961 1.00 34.32 H new ATOM 0 HA LEU A 45 14.377 5.046 -15.623 1.00 34.20 H new ATOM 0 HB2 LEU A 45 15.696 6.547 -13.338 1.00 3.11 H new ATOM 0 HB3 LEU A 45 16.407 6.392 -14.932 1.00 3.11 H new ATOM 0 HG LEU A 45 14.105 7.435 -15.720 1.00 51.42 H new ATOM 0 HD11 LEU A 45 13.261 9.084 -14.094 1.00 73.33 H new ATOM 0 HD12 LEU A 45 13.059 7.415 -13.509 1.00 73.33 H new ATOM 0 HD13 LEU A 45 14.370 8.432 -12.864 1.00 73.33 H new ATOM 0 HD21 LEU A 45 15.143 9.667 -15.578 1.00 73.24 H new ATOM 0 HD22 LEU A 45 16.325 9.038 -14.407 1.00 73.24 H new ATOM 0 HD23 LEU A 45 16.315 8.425 -16.077 1.00 73.24 H new ATOM 685 N THR A 46 15.305 3.083 -13.395 1.00 11.40 N ATOM 686 CA THR A 46 16.124 1.928 -13.051 1.00 4.43 C ATOM 687 C THR A 46 15.472 0.632 -13.518 1.00 10.41 C ATOM 688 O THR A 46 14.344 0.635 -14.012 1.00 2.52 O ATOM 689 CB THR A 46 16.371 1.847 -11.532 1.00 42.34 C ATOM 690 OG1 THR A 46 15.346 2.560 -10.831 1.00 23.23 O ATOM 691 CG2 THR A 46 17.733 2.423 -11.174 1.00 13.41 C ATOM 0 H THR A 46 14.440 3.160 -12.861 1.00 11.40 H new ATOM 0 HA THR A 46 17.079 2.055 -13.561 1.00 4.43 H new ATOM 0 HB THR A 46 16.349 0.798 -11.237 1.00 42.34 H new ATOM 0 HG1 THR A 46 15.522 3.523 -10.884 1.00 23.23 H new ATOM 0 HG21 THR A 46 17.885 2.355 -10.097 1.00 13.41 H new ATOM 0 HG22 THR A 46 18.513 1.860 -11.687 1.00 13.41 H new ATOM 0 HG23 THR A 46 17.778 3.468 -11.482 1.00 13.41 H new ATOM 699 N LYS A 47 16.188 -0.476 -13.359 1.00 14.34 N ATOM 700 CA LYS A 47 15.678 -1.781 -13.762 1.00 41.12 C ATOM 701 C LYS A 47 15.326 -2.628 -12.544 1.00 31.04 C ATOM 702 O LYS A 47 14.152 -2.827 -12.234 1.00 31.12 O ATOM 703 CB LYS A 47 16.712 -2.511 -14.623 1.00 32.03 C ATOM 704 CG LYS A 47 16.274 -2.708 -16.064 1.00 34.04 C ATOM 705 CD LYS A 47 16.071 -4.178 -16.389 1.00 30.43 C ATOM 706 CE LYS A 47 17.372 -4.958 -16.277 1.00 31.43 C ATOM 707 NZ LYS A 47 17.404 -6.120 -17.208 1.00 42.11 N ATOM 0 H LYS A 47 17.124 -0.496 -12.954 1.00 14.34 H new ATOM 0 HA LYS A 47 14.772 -1.624 -14.347 1.00 41.12 H new ATOM 0 HB2 LYS A 47 17.646 -1.949 -14.610 1.00 32.03 H new ATOM 0 HB3 LYS A 47 16.920 -3.485 -14.179 1.00 32.03 H new ATOM 0 HG2 LYS A 47 15.346 -2.164 -16.241 1.00 34.04 H new ATOM 0 HG3 LYS A 47 17.023 -2.286 -16.734 1.00 34.04 H new ATOM 0 HD2 LYS A 47 15.331 -4.603 -15.711 1.00 30.43 H new ATOM 0 HD3 LYS A 47 15.672 -4.277 -17.398 1.00 30.43 H new ATOM 0 HE2 LYS A 47 18.211 -4.297 -16.492 1.00 31.43 H new ATOM 0 HE3 LYS A 47 17.498 -5.310 -15.253 1.00 31.43 H new ATOM 0 HZ1 LYS A 47 18.307 -6.626 -17.101 1.00 42.11 H new ATOM 0 HZ2 LYS A 47 16.618 -6.764 -16.986 1.00 42.11 H new ATOM 0 HZ3 LYS A 47 17.310 -5.783 -18.187 1.00 42.11 H new ATOM 721 N GLU A 48 16.351 -3.123 -11.856 1.00 54.40 N ATOM 722 CA GLU A 48 16.147 -3.948 -10.671 1.00 4.41 C ATOM 723 C GLU A 48 15.215 -3.256 -9.680 1.00 63.21 C ATOM 724 O GLU A 48 14.331 -3.886 -9.100 1.00 20.51 O ATOM 725 CB GLU A 48 17.488 -4.253 -9.999 1.00 72.11 C ATOM 726 CG GLU A 48 17.926 -5.700 -10.146 1.00 64.42 C ATOM 727 CD GLU A 48 18.805 -6.163 -9.000 1.00 33.21 C ATOM 728 OE1 GLU A 48 19.902 -5.592 -8.826 1.00 15.13 O ATOM 729 OE2 GLU A 48 18.396 -7.096 -8.278 1.00 32.13 O ATOM 0 H GLU A 48 17.329 -2.967 -12.099 1.00 54.40 H new ATOM 0 HA GLU A 48 15.684 -4.884 -10.986 1.00 4.41 H new ATOM 0 HB2 GLU A 48 18.254 -3.605 -10.425 1.00 72.11 H new ATOM 0 HB3 GLU A 48 17.418 -4.009 -8.939 1.00 72.11 H new ATOM 0 HG2 GLU A 48 17.044 -6.338 -10.204 1.00 64.42 H new ATOM 0 HG3 GLU A 48 18.467 -5.818 -11.085 1.00 64.42 H new ATOM 736 N ASP A 49 15.420 -1.957 -9.491 1.00 65.45 N ATOM 737 CA ASP A 49 14.599 -1.179 -8.572 1.00 30.24 C ATOM 738 C ASP A 49 13.115 -1.431 -8.822 1.00 44.43 C ATOM 739 O ASP A 49 12.304 -1.398 -7.897 1.00 0.14 O ATOM 740 CB ASP A 49 14.908 0.312 -8.715 1.00 73.11 C ATOM 741 CG ASP A 49 16.186 0.710 -8.004 1.00 31.35 C ATOM 742 OD1 ASP A 49 16.665 -0.077 -7.160 1.00 2.00 O ATOM 743 OD2 ASP A 49 16.707 1.807 -8.291 1.00 4.13 O ATOM 0 H ASP A 49 16.148 -1.421 -9.963 1.00 65.45 H new ATOM 0 HA ASP A 49 14.836 -1.495 -7.556 1.00 30.24 H new ATOM 0 HB2 ASP A 49 14.991 0.563 -9.772 1.00 73.11 H new ATOM 0 HB3 ASP A 49 14.077 0.892 -8.314 1.00 73.11 H new ATOM 748 N CYS A 50 12.767 -1.681 -10.080 1.00 42.51 N ATOM 749 CA CYS A 50 11.381 -1.936 -10.454 1.00 64.01 C ATOM 750 C CYS A 50 10.724 -2.906 -9.476 1.00 61.05 C ATOM 751 O CYS A 50 9.681 -2.607 -8.895 1.00 12.02 O ATOM 752 CB CYS A 50 11.310 -2.500 -11.875 1.00 3.14 C ATOM 753 SG CYS A 50 9.636 -2.993 -12.396 1.00 11.02 S ATOM 0 H CYS A 50 13.426 -1.712 -10.858 1.00 42.51 H new ATOM 0 HA CYS A 50 10.841 -0.990 -10.419 1.00 64.01 H new ATOM 0 HB2 CYS A 50 11.690 -1.752 -12.571 1.00 3.14 H new ATOM 0 HB3 CYS A 50 11.970 -3.365 -11.945 1.00 3.14 H new ATOM 758 N CYS A 51 11.342 -4.069 -9.300 1.00 70.24 N ATOM 759 CA CYS A 51 10.819 -5.084 -8.394 1.00 74.22 C ATOM 760 C CYS A 51 10.724 -4.545 -6.970 1.00 0.12 C ATOM 761 O CYS A 51 9.777 -4.846 -6.243 1.00 2.22 O ATOM 762 CB CYS A 51 11.707 -6.329 -8.422 1.00 20.42 C ATOM 763 SG CYS A 51 10.790 -7.900 -8.313 1.00 11.32 S ATOM 0 H CYS A 51 12.206 -4.332 -9.773 1.00 70.24 H new ATOM 0 HA CYS A 51 9.817 -5.353 -8.729 1.00 74.22 H new ATOM 0 HB2 CYS A 51 12.291 -6.325 -9.342 1.00 20.42 H new ATOM 0 HB3 CYS A 51 12.415 -6.276 -7.595 1.00 20.42 H new ATOM 768 N ARG A 52 11.712 -3.746 -6.579 1.00 32.45 N ATOM 769 CA ARG A 52 11.741 -3.166 -5.242 1.00 12.25 C ATOM 770 C ARG A 52 10.456 -2.393 -4.956 1.00 61.42 C ATOM 771 O ARG A 52 9.929 -2.437 -3.845 1.00 50.43 O ATOM 772 CB ARG A 52 12.949 -2.240 -5.091 1.00 23.25 C ATOM 773 CG ARG A 52 13.685 -2.410 -3.771 1.00 43.35 C ATOM 774 CD ARG A 52 14.247 -3.815 -3.623 1.00 75.34 C ATOM 775 NE ARG A 52 15.688 -3.807 -3.391 1.00 63.30 N ATOM 776 CZ ARG A 52 16.452 -4.891 -3.475 1.00 43.21 C ATOM 777 NH1 ARG A 52 15.915 -6.063 -3.785 1.00 12.51 N ATOM 778 NH2 ARG A 52 17.757 -4.803 -3.250 1.00 31.34 N ATOM 0 H ARG A 52 12.502 -3.486 -7.169 1.00 32.45 H new ATOM 0 HA ARG A 52 11.823 -3.980 -4.522 1.00 12.25 H new ATOM 0 HB2 ARG A 52 13.643 -2.425 -5.911 1.00 23.25 H new ATOM 0 HB3 ARG A 52 12.617 -1.206 -5.182 1.00 23.25 H new ATOM 0 HG2 ARG A 52 14.496 -1.684 -3.709 1.00 43.35 H new ATOM 0 HG3 ARG A 52 13.006 -2.200 -2.945 1.00 43.35 H new ATOM 0 HD2 ARG A 52 13.749 -4.319 -2.794 1.00 75.34 H new ATOM 0 HD3 ARG A 52 14.028 -4.389 -4.523 1.00 75.34 H new ATOM 0 HE ARG A 52 16.133 -2.921 -3.151 1.00 63.30 H new ATOM 0 HH11 ARG A 52 14.913 -6.134 -3.960 1.00 12.51 H new ATOM 0 HH12 ARG A 52 16.504 -6.893 -3.849 1.00 12.51 H new ATOM 0 HH21 ARG A 52 18.174 -3.903 -3.012 1.00 31.34 H new ATOM 0 HH22 ARG A 52 18.343 -5.635 -3.315 1.00 31.34 H new ATOM 792 N GLU A 53 9.959 -1.687 -5.967 1.00 61.52 N ATOM 793 CA GLU A 53 8.737 -0.905 -5.824 1.00 3.35 C ATOM 794 C GLU A 53 7.598 -1.768 -5.290 1.00 13.12 C ATOM 795 O GLU A 53 6.741 -1.293 -4.543 1.00 63.20 O ATOM 796 CB GLU A 53 8.339 -0.288 -7.166 1.00 62.43 C ATOM 797 CG GLU A 53 8.535 1.217 -7.227 1.00 14.22 C ATOM 798 CD GLU A 53 8.447 1.761 -8.640 1.00 33.43 C ATOM 799 OE1 GLU A 53 8.686 0.986 -9.590 1.00 12.33 O ATOM 800 OE2 GLU A 53 8.138 2.961 -8.795 1.00 24.11 O ATOM 0 H GLU A 53 10.384 -1.641 -6.893 1.00 61.52 H new ATOM 0 HA GLU A 53 8.930 -0.106 -5.109 1.00 3.35 H new ATOM 0 HB2 GLU A 53 8.924 -0.754 -7.958 1.00 62.43 H new ATOM 0 HB3 GLU A 53 7.292 -0.518 -7.366 1.00 62.43 H new ATOM 0 HG2 GLU A 53 7.782 1.703 -6.607 1.00 14.22 H new ATOM 0 HG3 GLU A 53 9.507 1.470 -6.804 1.00 14.22 H new ATOM 807 N CYS A 54 7.594 -3.038 -5.679 1.00 33.54 N ATOM 808 CA CYS A 54 6.560 -3.969 -5.242 1.00 22.24 C ATOM 809 C CYS A 54 7.136 -5.014 -4.290 1.00 1.33 C ATOM 810 O CYS A 54 6.404 -5.829 -3.730 1.00 71.32 O ATOM 811 CB CYS A 54 5.923 -4.660 -6.449 1.00 12.22 C ATOM 812 SG CYS A 54 4.104 -4.561 -6.488 1.00 2.25 S ATOM 0 H CYS A 54 8.296 -3.447 -6.296 1.00 33.54 H new ATOM 0 HA CYS A 54 5.796 -3.401 -4.712 1.00 22.24 H new ATOM 0 HB2 CYS A 54 6.320 -4.214 -7.361 1.00 12.22 H new ATOM 0 HB3 CYS A 54 6.219 -5.709 -6.452 1.00 12.22 H new ATOM 817 N ALA A 55 8.453 -4.981 -4.111 1.00 73.41 N ATOM 818 CA ALA A 55 9.127 -5.923 -3.226 1.00 12.12 C ATOM 819 C ALA A 55 8.778 -5.650 -1.766 1.00 45.05 C ATOM 820 O ALA A 55 9.082 -6.455 -0.886 1.00 51.32 O ATOM 821 CB ALA A 55 10.633 -5.856 -3.432 1.00 53.14 C ATOM 0 H ALA A 55 9.074 -4.312 -4.567 1.00 73.41 H new ATOM 0 HA ALA A 55 8.782 -6.927 -3.474 1.00 12.12 H new ATOM 0 HB1 ALA A 55 11.123 -6.565 -2.765 1.00 53.14 H new ATOM 0 HB2 ALA A 55 10.870 -6.107 -4.466 1.00 53.14 H new ATOM 0 HB3 ALA A 55 10.986 -4.848 -3.213 1.00 53.14 H new ATOM 827 N GLN A 56 8.141 -4.510 -1.518 1.00 70.52 N ATOM 828 CA GLN A 56 7.753 -4.132 -0.165 1.00 2.15 C ATOM 829 C GLN A 56 6.498 -4.880 0.271 1.00 15.23 C ATOM 830 O GLN A 56 6.219 -5.004 1.463 1.00 0.12 O ATOM 831 CB GLN A 56 7.517 -2.623 -0.082 1.00 52.12 C ATOM 832 CG GLN A 56 8.613 -1.799 -0.738 1.00 1.32 C ATOM 833 CD GLN A 56 9.997 -2.164 -0.237 1.00 75.43 C ATOM 834 OE1 GLN A 56 10.646 -3.063 -0.773 1.00 52.04 O ATOM 835 NE2 GLN A 56 10.456 -1.468 0.796 1.00 71.12 N ATOM 0 H GLN A 56 7.883 -3.833 -2.236 1.00 70.52 H new ATOM 0 HA GLN A 56 8.567 -4.403 0.508 1.00 2.15 H new ATOM 0 HB2 GLN A 56 6.564 -2.386 -0.555 1.00 52.12 H new ATOM 0 HB3 GLN A 56 7.434 -2.334 0.966 1.00 52.12 H new ATOM 0 HG2 GLN A 56 8.572 -1.942 -1.818 1.00 1.32 H new ATOM 0 HG3 GLN A 56 8.430 -0.741 -0.549 1.00 1.32 H new ATOM 0 HE21 GLN A 56 9.884 -0.731 1.209 1.00 71.12 H new ATOM 0 HE22 GLN A 56 11.381 -1.670 1.176 1.00 71.12 H new ATOM 844 N GLY A 57 5.742 -5.376 -0.704 1.00 31.54 N ATOM 845 CA GLY A 57 4.524 -6.105 -0.400 1.00 63.52 C ATOM 846 C GLY A 57 4.050 -6.952 -1.565 1.00 23.55 C ATOM 847 O GLY A 57 2.855 -7.007 -1.855 1.00 65.31 O ATOM 0 H GLY A 57 5.951 -5.286 -1.698 1.00 31.54 H new ATOM 0 HA2 GLY A 57 4.694 -6.745 0.466 1.00 63.52 H new ATOM 0 HA3 GLY A 57 3.740 -5.399 -0.125 1.00 63.52 H new ATOM 851 N SER A 58 4.989 -7.614 -2.234 1.00 41.31 N ATOM 852 CA SER A 58 4.662 -8.458 -3.377 1.00 55.11 C ATOM 853 C SER A 58 5.902 -9.182 -3.891 1.00 2.01 C ATOM 854 O SER A 58 6.030 -10.398 -3.748 1.00 34.44 O ATOM 855 CB SER A 58 4.046 -7.618 -4.498 1.00 62.33 C ATOM 856 OG SER A 58 3.071 -8.358 -5.213 1.00 13.45 O ATOM 0 H SER A 58 5.982 -7.582 -2.004 1.00 41.31 H new ATOM 0 HA SER A 58 3.937 -9.204 -3.051 1.00 55.11 H new ATOM 0 HB2 SER A 58 3.590 -6.722 -4.077 1.00 62.33 H new ATOM 0 HB3 SER A 58 4.829 -7.287 -5.181 1.00 62.33 H new ATOM 0 HG SER A 58 2.691 -7.799 -5.923 1.00 13.45 H new ATOM 862 N CYS A 59 6.815 -8.425 -4.491 1.00 22.45 N ATOM 863 CA CYS A 59 8.046 -8.992 -5.027 1.00 65.41 C ATOM 864 C CYS A 59 9.015 -9.350 -3.904 1.00 4.13 C ATOM 865 O CYS A 59 9.689 -10.379 -3.956 1.00 33.31 O ATOM 866 CB CYS A 59 8.708 -8.007 -5.992 1.00 45.11 C ATOM 867 SG CYS A 59 10.405 -8.464 -6.474 1.00 74.24 S ATOM 0 H CYS A 59 6.725 -7.417 -4.618 1.00 22.45 H new ATOM 0 HA CYS A 59 7.791 -9.904 -5.567 1.00 65.41 H new ATOM 0 HB2 CYS A 59 8.096 -7.928 -6.890 1.00 45.11 H new ATOM 0 HB3 CYS A 59 8.726 -7.020 -5.531 1.00 45.11 H new