USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.035 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.15) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.614 K(o=-0.61,f=-0.0076) USER MOD Single : A 48 ASN : amide:sc= -1.04 K(o=-1,f=-7.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.58! C(o=-2.6!,f=-2.3!) USER MOD Single : A 56 SER OG : rot -100:sc= -2.67! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -128:sc= 0.125 (180deg=-3.91!) USER MOD Single : A 63 SER OG : rot 169:sc= -0.577 USER MOD Single : A 75 SER OG : rot -97:sc= 1.16 USER MOD Single : A 92 SER OG : rot -7:sc= -2.82! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.188 8.725 -2.556 1.00 0.00 N ATOM 2 CA ALA A 1 3.462 8.404 -3.821 1.00 0.00 C ATOM 3 C ALA A 1 2.596 9.576 -4.273 1.00 0.00 C ATOM 4 O ALA A 1 2.124 10.362 -3.452 1.00 0.00 O ATOM 5 CB ALA A 1 2.601 7.159 -3.649 1.00 0.00 C ATOM 0 H1 ALA A 1 5.185 8.928 -2.770 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.754 9.557 -2.108 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.131 7.914 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 1 4.211 8.212 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.081 6.944 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.234 6.313 -3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.870 7.328 -2.858 1.00 0.00 H new ATOM 13 N VAL A 2 2.388 9.688 -5.581 1.00 0.00 N ATOM 14 CA VAL A 2 1.574 10.767 -6.128 1.00 0.00 C ATOM 15 C VAL A 2 0.127 10.656 -5.657 1.00 0.00 C ATOM 16 O VAL A 2 -0.404 9.557 -5.495 1.00 0.00 O ATOM 17 CB VAL A 2 1.601 10.787 -7.668 1.00 0.00 C ATOM 18 CG1 VAL A 2 2.981 11.181 -8.174 1.00 0.00 C ATOM 19 CG2 VAL A 2 1.178 9.439 -8.231 1.00 0.00 C ATOM 0 H VAL A 2 2.769 9.049 -6.278 1.00 0.00 H new ATOM 0 HA VAL A 2 2.007 11.697 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 2 0.888 11.535 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.980 11.189 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.234 12.174 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.718 10.462 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.204 9.475 -9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.861 8.666 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.166 9.208 -7.900 1.00 0.00 H new ATOM 29 N LEU A 3 -0.491 11.804 -5.408 1.00 0.00 N ATOM 30 CA LEU A 3 -1.846 11.864 -4.922 1.00 0.00 C ATOM 31 C LEU A 3 -2.882 11.559 -5.976 1.00 0.00 C ATOM 32 O LEU A 3 -2.601 11.522 -7.173 1.00 0.00 O ATOM 33 CB LEU A 3 -2.138 13.260 -4.378 1.00 0.00 C ATOM 34 CG LEU A 3 -2.062 13.399 -2.855 1.00 0.00 C ATOM 35 CD1 LEU A 3 -2.177 12.038 -2.213 1.00 0.00 C ATOM 36 CD2 LEU A 3 -0.773 14.093 -2.431 1.00 0.00 C ATOM 0 H LEU A 3 -0.057 12.717 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.917 11.100 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.433 13.961 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.135 13.558 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.893 14.019 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.122 12.141 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.130 11.586 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.361 11.403 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.746 14.178 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.083 13.510 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.733 15.088 -2.874 1.00 0.00 H new ATOM 48 N ASP A 4 -4.105 11.387 -5.491 1.00 0.00 N ATOM 49 CA ASP A 4 -5.230 11.130 -6.338 1.00 0.00 C ATOM 50 C ASP A 4 -5.704 12.451 -6.942 1.00 0.00 C ATOM 51 O ASP A 4 -4.889 13.277 -7.349 1.00 0.00 O ATOM 52 CB ASP A 4 -6.353 10.457 -5.541 1.00 0.00 C ATOM 53 CG ASP A 4 -7.388 9.801 -6.436 1.00 0.00 C ATOM 54 OD1 ASP A 4 -7.074 9.535 -7.615 1.00 0.00 O ATOM 55 OD2 ASP A 4 -8.517 9.559 -5.958 1.00 0.00 O ATOM 0 H ASP A 4 -4.330 11.424 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.942 10.452 -7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.924 9.707 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.841 11.199 -4.910 1.00 0.00 H new ATOM 60 N LEU A 5 -7.011 12.656 -6.994 1.00 0.00 N ATOM 61 CA LEU A 5 -7.571 13.859 -7.529 1.00 0.00 C ATOM 62 C LEU A 5 -7.792 14.884 -6.418 1.00 0.00 C ATOM 63 O LEU A 5 -6.848 15.258 -5.725 1.00 0.00 O ATOM 64 CB LEU A 5 -8.859 13.505 -8.287 1.00 0.00 C ATOM 65 CG LEU A 5 -9.812 12.504 -7.595 1.00 0.00 C ATOM 66 CD1 LEU A 5 -10.963 13.213 -6.909 1.00 0.00 C ATOM 67 CD2 LEU A 5 -10.356 11.502 -8.605 1.00 0.00 C ATOM 0 H LEU A 5 -7.703 11.984 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.883 14.324 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.409 14.427 -8.474 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.582 13.097 -9.259 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.235 11.976 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.612 12.477 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.572 13.894 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.534 13.778 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.025 10.804 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.904 12.032 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.529 10.952 -9.053 1.00 0.00 H new ATOM 79 N ASP A 6 -9.032 15.315 -6.223 1.00 0.00 N ATOM 80 CA ASP A 6 -9.338 16.253 -5.174 1.00 0.00 C ATOM 81 C ASP A 6 -9.275 15.511 -3.859 1.00 0.00 C ATOM 82 O ASP A 6 -8.606 15.929 -2.912 1.00 0.00 O ATOM 83 CB ASP A 6 -10.726 16.864 -5.385 1.00 0.00 C ATOM 84 CG ASP A 6 -10.702 18.379 -5.375 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.868 18.964 -6.098 1.00 0.00 O ATOM 86 OD2 ASP A 6 -11.516 18.981 -4.643 1.00 0.00 O ATOM 0 H ASP A 6 -9.835 15.025 -6.782 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.619 17.072 -5.178 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.131 16.517 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.398 16.510 -4.603 1.00 0.00 H new ATOM 91 N VAL A 7 -9.936 14.370 -3.844 1.00 0.00 N ATOM 92 CA VAL A 7 -9.934 13.504 -2.692 1.00 0.00 C ATOM 93 C VAL A 7 -8.725 12.579 -2.767 1.00 0.00 C ATOM 94 O VAL A 7 -8.810 11.451 -3.252 1.00 0.00 O ATOM 95 CB VAL A 7 -11.223 12.660 -2.608 1.00 0.00 C ATOM 96 CG1 VAL A 7 -12.405 13.533 -2.216 1.00 0.00 C ATOM 97 CG2 VAL A 7 -11.492 11.954 -3.929 1.00 0.00 C ATOM 0 H VAL A 7 -10.486 14.022 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.885 14.126 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.086 11.900 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.306 12.922 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.215 13.987 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.542 14.316 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.405 11.365 -3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.608 12.695 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.656 11.296 -4.167 1.00 0.00 H new ATOM 107 N ARG A 8 -7.596 13.090 -2.310 1.00 0.00 N ATOM 108 CA ARG A 8 -6.353 12.388 -2.328 1.00 0.00 C ATOM 109 C ARG A 8 -6.210 11.436 -1.154 1.00 0.00 C ATOM 110 O ARG A 8 -6.697 11.707 -0.057 1.00 0.00 O ATOM 111 CB ARG A 8 -5.255 13.430 -2.307 1.00 0.00 C ATOM 112 CG ARG A 8 -5.161 14.201 -3.606 1.00 0.00 C ATOM 113 CD ARG A 8 -4.458 15.531 -3.415 1.00 0.00 C ATOM 114 NE ARG A 8 -4.147 16.178 -4.690 1.00 0.00 N ATOM 115 CZ ARG A 8 -3.076 16.943 -4.893 1.00 0.00 C ATOM 116 NH1 ARG A 8 -2.187 17.129 -3.925 1.00 0.00 N ATOM 117 NH2 ARG A 8 -2.888 17.515 -6.074 1.00 0.00 N ATOM 0 H ARG A 8 -7.531 14.026 -1.910 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.296 11.769 -3.223 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.435 14.126 -1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.300 12.943 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.623 13.607 -4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.162 14.371 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.088 16.191 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.537 15.376 -2.853 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.789 16.035 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.321 16.684 -3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.370 17.717 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.563 17.369 -6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.069 18.101 -6.232 1.00 0.00 H new ATOM 131 N THR A 9 -5.517 10.329 -1.387 1.00 0.00 N ATOM 132 CA THR A 9 -5.288 9.345 -0.344 1.00 0.00 C ATOM 133 C THR A 9 -6.605 8.800 0.199 1.00 0.00 C ATOM 134 O THR A 9 -7.399 9.532 0.792 1.00 0.00 O ATOM 135 CB THR A 9 -4.458 9.971 0.761 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.091 10.044 0.375 1.00 0.00 O ATOM 137 CG2 THR A 9 -4.545 9.243 2.084 1.00 0.00 C ATOM 0 H THR A 9 -5.105 10.092 -2.290 1.00 0.00 H new ATOM 0 HA THR A 9 -4.742 8.501 -0.766 1.00 0.00 H new ATOM 0 HB THR A 9 -4.879 10.966 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.569 10.451 1.097 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.924 9.752 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.580 9.233 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.194 8.219 1.959 1.00 0.00 H new ATOM 145 N CYS A 10 -6.830 7.509 -0.007 1.00 0.00 N ATOM 146 CA CYS A 10 -8.051 6.867 0.456 1.00 0.00 C ATOM 147 C CYS A 10 -7.924 6.420 1.911 1.00 0.00 C ATOM 148 O CYS A 10 -8.342 7.134 2.822 1.00 0.00 O ATOM 149 CB CYS A 10 -8.392 5.679 -0.443 1.00 0.00 C ATOM 150 SG CYS A 10 -8.960 6.159 -2.103 1.00 0.00 S ATOM 0 H CYS A 10 -6.183 6.887 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.860 7.595 0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.512 5.043 -0.539 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.166 5.081 0.038 1.00 0.00 H new ATOM 155 N LEU A 11 -7.351 5.239 2.123 1.00 0.00 N ATOM 156 CA LEU A 11 -7.176 4.703 3.470 1.00 0.00 C ATOM 157 C LEU A 11 -5.697 4.442 3.749 1.00 0.00 C ATOM 158 O LEU A 11 -5.174 3.373 3.441 1.00 0.00 O ATOM 159 CB LEU A 11 -7.982 3.414 3.618 1.00 0.00 C ATOM 160 CG LEU A 11 -9.373 3.592 4.232 1.00 0.00 C ATOM 161 CD1 LEU A 11 -10.290 4.372 3.298 1.00 0.00 C ATOM 162 CD2 LEU A 11 -9.983 2.243 4.564 1.00 0.00 C ATOM 0 H LEU A 11 -7.000 4.635 1.380 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.537 5.433 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.090 2.955 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.415 2.717 4.235 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.263 4.164 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.271 4.483 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.864 5.357 3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.392 3.834 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.972 2.388 5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.071 1.650 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.345 1.721 5.277 1.00 0.00 H new ATOM 174 N PRO A 12 -4.992 5.432 4.315 1.00 0.00 N ATOM 175 CA PRO A 12 -3.564 5.314 4.595 1.00 0.00 C ATOM 176 C PRO A 12 -3.208 4.328 5.696 1.00 0.00 C ATOM 177 O PRO A 12 -4.068 3.664 6.281 1.00 0.00 O ATOM 178 CB PRO A 12 -3.137 6.718 5.030 1.00 0.00 C ATOM 179 CG PRO A 12 -4.294 7.615 4.770 1.00 0.00 C ATOM 180 CD PRO A 12 -5.522 6.751 4.685 1.00 0.00 C ATOM 0 HA PRO A 12 -3.059 4.934 3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.867 6.731 6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.260 7.046 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.397 8.350 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.149 8.169 3.843 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.055 6.717 5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.224 7.124 3.939 1.00 0.00 H new ATOM 188 N CYS A 13 -1.907 4.269 5.967 1.00 0.00 N ATOM 189 CA CYS A 13 -1.348 3.400 6.968 1.00 0.00 C ATOM 190 C CYS A 13 -0.019 3.956 7.461 1.00 0.00 C ATOM 191 O CYS A 13 0.368 5.069 7.109 1.00 0.00 O ATOM 192 CB CYS A 13 -1.130 2.013 6.382 1.00 0.00 C ATOM 193 SG CYS A 13 -0.993 0.687 7.619 1.00 0.00 S ATOM 0 H CYS A 13 -1.211 4.837 5.484 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.042 3.336 7.806 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.956 1.782 5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.222 2.025 5.779 1.00 0.00 H new ATOM 198 N GLY A 14 0.692 3.162 8.246 1.00 0.00 N ATOM 199 CA GLY A 14 1.980 3.579 8.733 1.00 0.00 C ATOM 200 C GLY A 14 1.951 4.861 9.532 1.00 0.00 C ATOM 201 O GLY A 14 1.085 5.067 10.382 1.00 0.00 O ATOM 0 H GLY A 14 0.395 2.235 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.396 2.786 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.653 3.707 7.885 1.00 0.00 H new ATOM 205 N PRO A 15 2.935 5.723 9.280 1.00 0.00 N ATOM 206 CA PRO A 15 3.112 6.998 9.961 1.00 0.00 C ATOM 207 C PRO A 15 2.389 8.154 9.269 1.00 0.00 C ATOM 208 O PRO A 15 2.935 8.785 8.363 1.00 0.00 O ATOM 209 CB PRO A 15 4.624 7.153 9.853 1.00 0.00 C ATOM 210 CG PRO A 15 4.916 6.664 8.486 1.00 0.00 C ATOM 211 CD PRO A 15 4.006 5.485 8.303 1.00 0.00 C ATOM 0 HA PRO A 15 2.706 7.016 10.972 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.933 8.190 9.985 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.144 6.567 10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.722 7.434 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.962 6.377 8.383 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.617 5.432 7.286 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.523 4.545 8.496 1.00 0.00 H new ATOM 219 N GLY A 16 1.160 8.427 9.704 1.00 0.00 N ATOM 220 CA GLY A 16 0.385 9.509 9.118 1.00 0.00 C ATOM 221 C GLY A 16 -0.481 9.039 7.968 1.00 0.00 C ATOM 222 O GLY A 16 -1.707 9.007 8.071 1.00 0.00 O ATOM 0 H GLY A 16 0.688 7.918 10.451 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.246 9.958 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.061 10.288 8.766 1.00 0.00 H new ATOM 226 N GLY A 17 0.167 8.658 6.877 1.00 0.00 N ATOM 227 CA GLY A 17 -0.533 8.168 5.715 1.00 0.00 C ATOM 228 C GLY A 17 0.400 7.844 4.583 1.00 0.00 C ATOM 229 O GLY A 17 0.076 8.013 3.407 1.00 0.00 O ATOM 0 H GLY A 17 1.182 8.682 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.099 7.276 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.254 8.916 5.386 1.00 0.00 H new ATOM 233 N LYS A 18 1.563 7.372 4.964 1.00 0.00 N ATOM 234 CA LYS A 18 2.593 6.996 4.038 1.00 0.00 C ATOM 235 C LYS A 18 2.203 5.717 3.323 1.00 0.00 C ATOM 236 O LYS A 18 2.490 5.525 2.141 1.00 0.00 O ATOM 237 CB LYS A 18 3.882 6.796 4.819 1.00 0.00 C ATOM 238 CG LYS A 18 4.820 7.975 4.804 1.00 0.00 C ATOM 239 CD LYS A 18 4.051 9.267 4.748 1.00 0.00 C ATOM 240 CE LYS A 18 4.971 10.474 4.806 1.00 0.00 C ATOM 241 NZ LYS A 18 5.317 10.981 3.449 1.00 0.00 N ATOM 0 H LYS A 18 1.820 7.238 5.942 1.00 0.00 H new ATOM 0 HA LYS A 18 2.732 7.774 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.631 6.563 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.404 5.929 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.447 7.958 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.486 7.905 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.464 9.301 3.830 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.346 9.307 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.491 11.268 5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.885 10.207 5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.847 11.872 3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.901 10.277 2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.445 11.149 2.908 1.00 0.00 H new ATOM 255 N GLY A 19 1.531 4.861 4.064 1.00 0.00 N ATOM 256 CA GLY A 19 1.069 3.607 3.538 1.00 0.00 C ATOM 257 C GLY A 19 -0.438 3.504 3.549 1.00 0.00 C ATOM 258 O GLY A 19 -1.131 4.509 3.676 1.00 0.00 O ATOM 0 H GLY A 19 1.294 5.020 5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.432 3.487 2.517 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.492 2.791 4.124 1.00 0.00 H new ATOM 262 N ARG A 20 -0.942 2.288 3.409 1.00 0.00 N ATOM 263 CA ARG A 20 -2.372 2.045 3.394 1.00 0.00 C ATOM 264 C ARG A 20 -2.671 0.592 3.759 1.00 0.00 C ATOM 265 O ARG A 20 -1.758 -0.216 3.931 1.00 0.00 O ATOM 266 CB ARG A 20 -2.937 2.379 2.024 1.00 0.00 C ATOM 267 CG ARG A 20 -2.511 1.402 0.959 1.00 0.00 C ATOM 268 CD ARG A 20 -3.674 1.029 0.064 1.00 0.00 C ATOM 269 NE ARG A 20 -3.574 1.668 -1.243 1.00 0.00 N ATOM 270 CZ ARG A 20 -4.044 1.144 -2.372 1.00 0.00 C ATOM 271 NH1 ARG A 20 -4.683 -0.019 -2.363 1.00 0.00 N ATOM 272 NH2 ARG A 20 -3.881 1.793 -3.518 1.00 0.00 N ATOM 0 H ARG A 20 -0.374 1.448 3.303 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.848 2.686 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.025 2.396 2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.617 3.381 1.739 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.712 1.838 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.105 0.505 1.426 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.705 -0.053 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.609 1.321 0.542 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.113 2.577 -1.295 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.818 -0.520 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.039 -0.412 -3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.397 2.691 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.240 1.394 -4.385 1.00 0.00 H new ATOM 286 N CYS A 21 -3.949 0.259 3.843 1.00 0.00 N ATOM 287 CA CYS A 21 -4.356 -1.102 4.160 1.00 0.00 C ATOM 288 C CYS A 21 -4.430 -1.933 2.891 1.00 0.00 C ATOM 289 O CYS A 21 -4.533 -1.385 1.795 1.00 0.00 O ATOM 290 CB CYS A 21 -5.683 -1.093 4.891 1.00 0.00 C ATOM 291 SG CYS A 21 -6.753 -2.550 4.601 1.00 0.00 S ATOM 0 H CYS A 21 -4.721 0.910 3.697 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.614 -1.555 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.488 -1.014 5.961 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.232 -0.197 4.600 1.00 0.00 H new ATOM 296 N PHE A 22 -4.348 -3.254 3.029 1.00 0.00 N ATOM 297 CA PHE A 22 -4.378 -4.118 1.857 1.00 0.00 C ATOM 298 C PHE A 22 -5.370 -5.281 1.983 1.00 0.00 C ATOM 299 O PHE A 22 -6.526 -5.156 1.573 1.00 0.00 O ATOM 300 CB PHE A 22 -2.963 -4.619 1.571 1.00 0.00 C ATOM 301 CG PHE A 22 -2.161 -3.632 0.786 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.859 -2.386 1.317 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.722 -3.943 -0.487 1.00 0.00 C ATOM 304 CE1 PHE A 22 -1.125 -1.473 0.582 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.993 -3.032 -1.223 1.00 0.00 C ATOM 306 CZ PHE A 22 -0.695 -1.796 -0.687 1.00 0.00 C ATOM 0 H PHE A 22 -4.262 -3.740 3.922 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.738 -3.526 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.456 -4.828 2.513 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.017 -5.559 1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.199 -2.128 2.309 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.952 -4.910 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.889 -0.507 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.656 -3.286 -2.217 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.125 -1.081 -1.262 1.00 0.00 H new ATOM 316 N GLY A 23 -4.915 -6.424 2.493 1.00 0.00 N ATOM 317 CA GLY A 23 -5.790 -7.583 2.587 1.00 0.00 C ATOM 318 C GLY A 23 -6.018 -8.144 3.990 1.00 0.00 C ATOM 319 O GLY A 23 -6.944 -7.722 4.681 1.00 0.00 O ATOM 0 H GLY A 23 -3.967 -6.568 2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.758 -7.317 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.376 -8.376 1.964 1.00 0.00 H new ATOM 323 N PRO A 24 -5.221 -9.147 4.418 1.00 0.00 N ATOM 324 CA PRO A 24 -5.384 -9.814 5.710 1.00 0.00 C ATOM 325 C PRO A 24 -4.433 -9.319 6.792 1.00 0.00 C ATOM 326 O PRO A 24 -3.253 -9.667 6.790 1.00 0.00 O ATOM 327 CB PRO A 24 -5.041 -11.250 5.330 1.00 0.00 C ATOM 328 CG PRO A 24 -3.951 -11.118 4.313 1.00 0.00 C ATOM 329 CD PRO A 24 -4.122 -9.762 3.657 1.00 0.00 C ATOM 0 HA PRO A 24 -6.370 -9.649 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.708 -11.821 6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.907 -11.769 4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.971 -11.198 4.784 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.015 -11.916 3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.210 -9.168 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.370 -9.856 2.600 1.00 0.00 H new ATOM 337 N SER A 25 -4.945 -8.515 7.726 1.00 0.00 N ATOM 338 CA SER A 25 -4.110 -7.997 8.811 1.00 0.00 C ATOM 339 C SER A 25 -2.858 -7.356 8.252 1.00 0.00 C ATOM 340 O SER A 25 -1.852 -7.236 8.943 1.00 0.00 O ATOM 341 CB SER A 25 -3.682 -9.134 9.736 1.00 0.00 C ATOM 342 OG SER A 25 -3.643 -8.709 11.088 1.00 0.00 O ATOM 0 H SER A 25 -5.919 -8.212 7.754 1.00 0.00 H new ATOM 0 HA SER A 25 -4.696 -7.261 9.362 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.375 -9.969 9.635 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.699 -9.498 9.438 1.00 0.00 H new ATOM 0 HG SER A 25 -3.368 -9.457 11.658 1.00 0.00 H new ATOM 348 N ILE A 26 -2.903 -7.000 6.986 1.00 0.00 N ATOM 349 CA ILE A 26 -1.748 -6.449 6.334 1.00 0.00 C ATOM 350 C ILE A 26 -1.882 -4.961 6.023 1.00 0.00 C ATOM 351 O ILE A 26 -2.975 -4.390 6.006 1.00 0.00 O ATOM 352 CB ILE A 26 -1.476 -7.233 5.040 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.002 -7.256 4.706 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.237 -6.624 3.900 1.00 0.00 C ATOM 355 CD1 ILE A 26 0.352 -8.327 3.689 1.00 0.00 C ATOM 0 H ILE A 26 -3.729 -7.084 6.393 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.911 -6.544 7.026 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.807 -8.259 5.199 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.294 -6.281 4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.570 -7.424 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.038 -7.186 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.305 -6.653 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.923 -5.589 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.423 -8.297 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.084 -9.307 4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.197 -8.146 2.765 1.00 0.00 H new ATOM 367 N CYS A 27 -0.733 -4.369 5.758 1.00 0.00 N ATOM 368 CA CYS A 27 -0.609 -2.972 5.422 1.00 0.00 C ATOM 369 C CYS A 27 0.680 -2.784 4.638 1.00 0.00 C ATOM 370 O CYS A 27 1.662 -3.487 4.885 1.00 0.00 O ATOM 371 CB CYS A 27 -0.607 -2.144 6.687 1.00 0.00 C ATOM 372 SG CYS A 27 -1.915 -0.885 6.746 1.00 0.00 S ATOM 0 H CYS A 27 0.160 -4.863 5.772 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.450 -2.644 4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.717 -2.808 7.544 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.361 -1.653 6.786 1.00 0.00 H new ATOM 377 N CYS A 28 0.687 -1.879 3.678 1.00 0.00 N ATOM 378 CA CYS A 28 1.862 -1.691 2.871 1.00 0.00 C ATOM 379 C CYS A 28 2.003 -0.260 2.400 1.00 0.00 C ATOM 380 O CYS A 28 1.174 0.224 1.625 1.00 0.00 O ATOM 381 CB CYS A 28 1.776 -2.632 1.673 1.00 0.00 C ATOM 382 SG CYS A 28 3.339 -3.441 1.222 1.00 0.00 S ATOM 0 H CYS A 28 -0.100 -1.273 3.445 1.00 0.00 H new ATOM 0 HA CYS A 28 2.742 -1.915 3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.034 -3.401 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.414 -2.069 0.813 1.00 0.00 H new ATOM 387 N GLY A 29 3.048 0.420 2.844 1.00 0.00 N ATOM 388 CA GLY A 29 3.253 1.744 2.418 1.00 0.00 C ATOM 389 C GLY A 29 4.274 1.779 1.296 1.00 0.00 C ATOM 390 O GLY A 29 5.394 1.301 1.484 1.00 0.00 O ATOM 0 H GLY A 29 3.747 0.058 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.311 2.174 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.598 2.354 3.253 1.00 0.00 H new ATOM 394 N ASP A 30 3.911 2.312 0.124 1.00 0.00 N ATOM 395 CA ASP A 30 4.842 2.359 -0.997 1.00 0.00 C ATOM 396 C ASP A 30 6.055 3.140 -0.551 1.00 0.00 C ATOM 397 O ASP A 30 7.174 2.627 -0.511 1.00 0.00 O ATOM 398 CB ASP A 30 4.194 3.038 -2.202 1.00 0.00 C ATOM 399 CG ASP A 30 4.785 2.569 -3.517 1.00 0.00 C ATOM 400 OD1 ASP A 30 5.843 3.098 -3.913 1.00 0.00 O ATOM 401 OD2 ASP A 30 4.189 1.671 -4.150 1.00 0.00 O ATOM 0 H ASP A 30 2.992 2.710 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 30 5.124 1.349 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.123 2.837 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.316 4.118 -2.116 1.00 0.00 H new ATOM 406 N GLU A 31 5.799 4.353 -0.122 1.00 0.00 N ATOM 407 CA GLU A 31 6.816 5.198 0.437 1.00 0.00 C ATOM 408 C GLU A 31 6.954 4.862 1.920 1.00 0.00 C ATOM 409 O GLU A 31 7.313 5.721 2.726 1.00 0.00 O ATOM 410 CB GLU A 31 6.384 6.650 0.291 1.00 0.00 C ATOM 411 CG GLU A 31 5.046 6.924 0.969 1.00 0.00 C ATOM 412 CD GLU A 31 4.967 8.311 1.569 1.00 0.00 C ATOM 413 OE1 GLU A 31 6.020 8.842 1.980 1.00 0.00 O ATOM 414 OE2 GLU A 31 3.850 8.868 1.632 1.00 0.00 O ATOM 0 H GLU A 31 4.873 4.780 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 31 7.766 5.045 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.147 7.299 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.311 6.901 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.243 6.801 0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.882 6.184 1.752 1.00 0.00 H new ATOM 421 N LEU A 32 6.562 3.637 2.288 1.00 0.00 N ATOM 422 CA LEU A 32 6.534 3.247 3.685 1.00 0.00 C ATOM 423 C LEU A 32 6.610 1.733 3.892 1.00 0.00 C ATOM 424 O LEU A 32 5.998 1.200 4.804 1.00 0.00 O ATOM 425 CB LEU A 32 5.239 3.823 4.229 1.00 0.00 C ATOM 426 CG LEU A 32 4.897 3.631 5.701 1.00 0.00 C ATOM 427 CD1 LEU A 32 3.786 2.612 5.818 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.107 3.256 6.553 1.00 0.00 C ATOM 0 H LEU A 32 6.264 2.910 1.637 1.00 0.00 H new ATOM 0 HA LEU A 32 7.410 3.628 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.249 4.895 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.422 3.400 3.645 1.00 0.00 H new ATOM 0 HG LEU A 32 4.557 4.587 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.534 2.468 6.869 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.908 2.968 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.114 1.665 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.797 3.134 7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.533 2.321 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.856 4.045 6.489 1.00 0.00 H new ATOM 440 N GLY A 33 7.381 1.056 3.052 1.00 0.00 N ATOM 441 CA GLY A 33 7.563 -0.390 3.181 1.00 0.00 C ATOM 442 C GLY A 33 6.307 -1.159 3.589 1.00 0.00 C ATOM 443 O GLY A 33 5.198 -0.621 3.577 1.00 0.00 O ATOM 0 H GLY A 33 7.890 1.479 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.920 -0.784 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.344 -0.580 3.918 1.00 0.00 H new ATOM 447 N CYS A 34 6.474 -2.443 3.900 1.00 0.00 N ATOM 448 CA CYS A 34 5.338 -3.290 4.243 1.00 0.00 C ATOM 449 C CYS A 34 5.359 -3.811 5.677 1.00 0.00 C ATOM 450 O CYS A 34 6.394 -4.226 6.196 1.00 0.00 O ATOM 451 CB CYS A 34 5.282 -4.469 3.281 1.00 0.00 C ATOM 452 SG CYS A 34 3.612 -4.830 2.675 1.00 0.00 S ATOM 0 H CYS A 34 7.378 -2.915 3.921 1.00 0.00 H new ATOM 0 HA CYS A 34 4.451 -2.663 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.932 -4.265 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.678 -5.354 3.780 1.00 0.00 H new ATOM 457 N PHE A 35 4.173 -3.817 6.286 1.00 0.00 N ATOM 458 CA PHE A 35 3.988 -4.324 7.645 1.00 0.00 C ATOM 459 C PHE A 35 2.804 -5.286 7.689 1.00 0.00 C ATOM 460 O PHE A 35 1.655 -4.851 7.678 1.00 0.00 O ATOM 461 CB PHE A 35 3.732 -3.178 8.626 1.00 0.00 C ATOM 462 CG PHE A 35 4.630 -2.005 8.424 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.501 -1.223 7.297 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.606 -1.688 9.356 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.326 -0.145 7.093 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.440 -0.603 9.154 1.00 0.00 C ATOM 467 CZ PHE A 35 6.295 0.170 8.019 1.00 0.00 C ATOM 0 H PHE A 35 3.317 -3.472 5.853 1.00 0.00 H new ATOM 0 HA PHE A 35 4.901 -4.844 7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.696 -2.853 8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.856 -3.548 9.644 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.742 -1.461 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.716 -2.292 10.245 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.215 0.458 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.201 -0.362 9.881 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.941 1.021 7.858 1.00 0.00 H new ATOM 477 N VAL A 36 3.066 -6.584 7.763 1.00 0.00 N ATOM 478 CA VAL A 36 1.977 -7.551 7.831 1.00 0.00 C ATOM 479 C VAL A 36 1.678 -7.912 9.270 1.00 0.00 C ATOM 480 O VAL A 36 2.509 -8.491 9.967 1.00 0.00 O ATOM 481 CB VAL A 36 2.267 -8.844 7.057 1.00 0.00 C ATOM 482 CG1 VAL A 36 0.975 -9.637 6.865 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.935 -8.534 5.722 1.00 0.00 C ATOM 0 H VAL A 36 4.003 -6.987 7.777 1.00 0.00 H new ATOM 0 HA VAL A 36 1.119 -7.065 7.366 1.00 0.00 H new ATOM 0 HB VAL A 36 2.960 -9.456 7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.189 -10.553 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.554 -9.888 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.259 -9.036 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.132 -9.464 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.276 -7.905 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.875 -8.011 5.898 1.00 0.00 H new ATOM 493 N GLY A 37 0.486 -7.554 9.709 1.00 0.00 N ATOM 494 CA GLY A 37 0.092 -7.834 11.079 1.00 0.00 C ATOM 495 C GLY A 37 0.973 -7.111 12.085 1.00 0.00 C ATOM 496 O GLY A 37 0.883 -7.353 13.289 1.00 0.00 O ATOM 0 H GLY A 37 -0.218 -7.075 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.946 -7.535 11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.143 -8.908 11.258 1.00 0.00 H new ATOM 500 N THR A 38 1.831 -6.222 11.583 1.00 0.00 N ATOM 501 CA THR A 38 2.738 -5.453 12.424 1.00 0.00 C ATOM 502 C THR A 38 2.023 -4.238 13.000 1.00 0.00 C ATOM 503 O THR A 38 0.892 -3.935 12.616 1.00 0.00 O ATOM 504 CB THR A 38 3.941 -4.996 11.596 1.00 0.00 C ATOM 505 OG1 THR A 38 4.300 -5.979 10.642 1.00 0.00 O ATOM 506 CG2 THR A 38 5.175 -4.680 12.411 1.00 0.00 C ATOM 0 H THR A 38 1.914 -6.018 10.587 1.00 0.00 H new ATOM 0 HA THR A 38 3.078 -6.084 13.245 1.00 0.00 H new ATOM 0 HB THR A 38 3.608 -4.075 11.118 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.070 -5.665 10.123 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.979 -4.364 11.746 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.951 -3.879 13.115 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.486 -5.569 12.960 1.00 0.00 H new ATOM 514 N ALA A 39 2.690 -3.531 13.905 1.00 0.00 N ATOM 515 CA ALA A 39 2.113 -2.339 14.517 1.00 0.00 C ATOM 516 C ALA A 39 1.698 -1.324 13.456 1.00 0.00 C ATOM 517 O ALA A 39 0.554 -0.887 13.417 1.00 0.00 O ATOM 518 CB ALA A 39 3.101 -1.714 15.489 1.00 0.00 C ATOM 0 H ALA A 39 3.629 -3.761 14.231 1.00 0.00 H new ATOM 0 HA ALA A 39 1.220 -2.638 15.066 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.657 -0.826 15.938 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.346 -2.432 16.271 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.010 -1.435 14.955 1.00 0.00 H new ATOM 524 N GLU A 40 2.638 -0.961 12.593 1.00 0.00 N ATOM 525 CA GLU A 40 2.383 -0.005 11.521 1.00 0.00 C ATOM 526 C GLU A 40 1.376 -0.548 10.498 1.00 0.00 C ATOM 527 O GLU A 40 1.192 0.045 9.434 1.00 0.00 O ATOM 528 CB GLU A 40 3.697 0.338 10.820 1.00 0.00 C ATOM 529 CG GLU A 40 4.237 1.719 11.160 1.00 0.00 C ATOM 530 CD GLU A 40 4.623 1.855 12.620 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.742 1.432 12.981 1.00 0.00 O ATOM 532 OE2 GLU A 40 3.807 2.386 13.401 1.00 0.00 O ATOM 0 H GLU A 40 3.593 -1.318 12.615 1.00 0.00 H new ATOM 0 HA GLU A 40 1.951 0.891 11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.445 -0.409 11.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.550 0.272 9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.107 1.927 10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.484 2.469 10.916 1.00 0.00 H new ATOM 539 N ALA A 41 0.757 -1.694 10.794 1.00 0.00 N ATOM 540 CA ALA A 41 -0.184 -2.309 9.867 1.00 0.00 C ATOM 541 C ALA A 41 -1.639 -2.230 10.327 1.00 0.00 C ATOM 542 O ALA A 41 -2.550 -2.148 9.504 1.00 0.00 O ATOM 543 CB ALA A 41 0.193 -3.759 9.668 1.00 0.00 C ATOM 0 H ALA A 41 0.892 -2.209 11.664 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.118 -1.747 8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.507 -4.225 8.975 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.202 -3.820 9.260 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.157 -4.279 10.625 1.00 0.00 H new ATOM 549 N LEU A 42 -1.858 -2.290 11.634 1.00 0.00 N ATOM 550 CA LEU A 42 -3.210 -2.259 12.190 1.00 0.00 C ATOM 551 C LEU A 42 -4.077 -1.144 11.605 1.00 0.00 C ATOM 552 O LEU A 42 -5.301 -1.189 11.714 1.00 0.00 O ATOM 553 CB LEU A 42 -3.167 -2.147 13.717 1.00 0.00 C ATOM 554 CG LEU A 42 -2.145 -1.163 14.295 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.862 -0.034 13.321 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.638 -0.611 15.623 1.00 0.00 C ATOM 0 H LEU A 42 -1.118 -2.361 12.332 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.676 -3.203 11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.158 -1.857 14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.961 -3.136 14.127 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.212 -1.701 14.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.133 0.649 13.758 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.464 -0.445 12.393 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.785 0.506 13.112 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.902 0.087 16.023 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.585 -0.093 15.473 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.781 -1.431 16.327 1.00 0.00 H new ATOM 568 N ARG A 43 -3.456 -0.155 10.973 1.00 0.00 N ATOM 569 CA ARG A 43 -4.195 0.948 10.371 1.00 0.00 C ATOM 570 C ARG A 43 -5.336 0.452 9.480 1.00 0.00 C ATOM 571 O ARG A 43 -6.275 1.195 9.193 1.00 0.00 O ATOM 572 CB ARG A 43 -3.252 1.821 9.566 1.00 0.00 C ATOM 573 CG ARG A 43 -3.182 3.255 10.061 1.00 0.00 C ATOM 574 CD ARG A 43 -2.758 3.314 11.518 1.00 0.00 C ATOM 575 NE ARG A 43 -1.927 4.483 11.796 1.00 0.00 N ATOM 576 CZ ARG A 43 -2.413 5.705 11.997 1.00 0.00 C ATOM 577 NH1 ARG A 43 -3.722 5.922 11.954 1.00 0.00 N ATOM 578 NH2 ARG A 43 -1.590 6.714 12.244 1.00 0.00 N ATOM 0 H ARG A 43 -2.444 -0.094 10.864 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.637 1.531 11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.253 1.386 9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.570 1.820 8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.476 3.819 9.451 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.156 3.731 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.643 3.339 12.153 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.208 2.408 11.773 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.916 4.355 11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.361 5.150 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.089 6.861 12.109 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.583 6.554 12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.963 7.651 12.398 1.00 0.00 H new ATOM 592 N CYS A 44 -5.253 -0.801 9.044 1.00 0.00 N ATOM 593 CA CYS A 44 -6.279 -1.377 8.195 1.00 0.00 C ATOM 594 C CYS A 44 -7.549 -1.646 8.979 1.00 0.00 C ATOM 595 O CYS A 44 -8.607 -1.873 8.393 1.00 0.00 O ATOM 596 CB CYS A 44 -5.788 -2.665 7.533 1.00 0.00 C ATOM 597 SG CYS A 44 -7.012 -3.434 6.420 1.00 0.00 S ATOM 0 H CYS A 44 -4.484 -1.433 9.267 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.502 -0.650 7.414 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.882 -2.449 6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.516 -3.381 8.309 1.00 0.00 H new ATOM 602 N GLN A 45 -7.460 -1.589 10.301 1.00 0.00 N ATOM 603 CA GLN A 45 -8.629 -1.787 11.129 1.00 0.00 C ATOM 604 C GLN A 45 -9.669 -0.736 10.760 1.00 0.00 C ATOM 605 O GLN A 45 -10.878 -0.941 10.900 1.00 0.00 O ATOM 606 CB GLN A 45 -8.265 -1.681 12.610 1.00 0.00 C ATOM 607 CG GLN A 45 -8.405 -2.994 13.362 1.00 0.00 C ATOM 608 CD GLN A 45 -7.319 -3.990 13.002 1.00 0.00 C ATOM 609 OE1 GLN A 45 -7.602 -5.145 12.684 1.00 0.00 O ATOM 610 NE2 GLN A 45 -6.067 -3.547 13.048 1.00 0.00 N ATOM 0 H GLN A 45 -6.597 -1.409 10.814 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.034 -2.784 10.958 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.238 -1.327 12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.902 -0.932 13.080 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.374 -2.800 14.434 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.380 -3.431 13.145 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.877 -2.582 13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.296 -4.172 12.814 1.00 0.00 H new ATOM 619 N GLU A 46 -9.171 0.388 10.255 1.00 0.00 N ATOM 620 CA GLU A 46 -10.019 1.479 9.826 1.00 0.00 C ATOM 621 C GLU A 46 -10.641 1.153 8.473 1.00 0.00 C ATOM 622 O GLU A 46 -11.532 1.858 7.998 1.00 0.00 O ATOM 623 CB GLU A 46 -9.199 2.770 9.748 1.00 0.00 C ATOM 624 CG GLU A 46 -8.396 2.922 8.465 1.00 0.00 C ATOM 625 CD GLU A 46 -9.014 3.918 7.504 1.00 0.00 C ATOM 626 OE1 GLU A 46 -10.229 3.811 7.236 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.282 4.805 7.016 1.00 0.00 O ATOM 0 H GLU A 46 -8.173 0.562 10.135 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.823 1.620 10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.873 3.621 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.516 2.805 10.597 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.383 3.241 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.315 1.952 7.975 1.00 0.00 H new ATOM 634 N GLU A 47 -10.171 0.065 7.858 1.00 0.00 N ATOM 635 CA GLU A 47 -10.699 -0.358 6.570 1.00 0.00 C ATOM 636 C GLU A 47 -12.120 -0.897 6.711 1.00 0.00 C ATOM 637 O GLU A 47 -12.739 -1.298 5.725 1.00 0.00 O ATOM 638 CB GLU A 47 -9.797 -1.418 5.936 1.00 0.00 C ATOM 639 CG GLU A 47 -10.041 -1.605 4.447 1.00 0.00 C ATOM 640 CD GLU A 47 -10.550 -2.993 4.110 1.00 0.00 C ATOM 641 OE1 GLU A 47 -11.751 -3.256 4.334 1.00 0.00 O ATOM 642 OE2 GLU A 47 -9.749 -3.815 3.620 1.00 0.00 O ATOM 0 H GLU A 47 -9.432 -0.531 8.232 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.724 0.516 5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.755 -1.140 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.953 -2.369 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.764 -0.864 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.114 -1.420 3.904 1.00 0.00 H new ATOM 649 N ASN A 48 -12.648 -0.887 7.938 1.00 0.00 N ATOM 650 CA ASN A 48 -13.995 -1.358 8.186 1.00 0.00 C ATOM 651 C ASN A 48 -15.033 -0.432 7.534 1.00 0.00 C ATOM 652 O ASN A 48 -16.228 -0.723 7.549 1.00 0.00 O ATOM 653 CB ASN A 48 -14.244 -1.458 9.693 1.00 0.00 C ATOM 654 CG ASN A 48 -13.957 -0.157 10.417 1.00 0.00 C ATOM 655 OD1 ASN A 48 -13.940 0.914 9.811 1.00 0.00 O ATOM 656 ND2 ASN A 48 -13.722 -0.244 11.722 1.00 0.00 N ATOM 0 H ASN A 48 -12.156 -0.556 8.768 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.100 -2.347 7.740 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.280 -1.747 9.868 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.619 -2.247 10.110 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.518 0.598 12.261 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.746 -1.153 12.185 1.00 0.00 H new ATOM 663 N TYR A 49 -14.564 0.676 6.949 1.00 0.00 N ATOM 664 CA TYR A 49 -15.440 1.645 6.282 1.00 0.00 C ATOM 665 C TYR A 49 -15.642 1.265 4.805 1.00 0.00 C ATOM 666 O TYR A 49 -15.738 0.083 4.479 1.00 0.00 O ATOM 667 CB TYR A 49 -14.827 3.050 6.413 1.00 0.00 C ATOM 668 CG TYR A 49 -15.030 3.702 7.761 1.00 0.00 C ATOM 669 CD1 TYR A 49 -15.684 3.033 8.772 1.00 0.00 C ATOM 670 CD2 TYR A 49 -14.580 4.992 8.013 1.00 0.00 C ATOM 671 CE1 TYR A 49 -15.892 3.617 10.004 1.00 0.00 C ATOM 672 CE2 TYR A 49 -14.778 5.588 9.242 1.00 0.00 C ATOM 673 CZ TYR A 49 -15.438 4.897 10.235 1.00 0.00 C ATOM 674 OH TYR A 49 -15.642 5.486 11.461 1.00 0.00 O ATOM 0 H TYR A 49 -13.575 0.925 6.924 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.420 1.639 6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -13.758 2.986 6.213 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.257 3.693 5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -16.042 2.029 8.596 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -14.067 5.537 7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -16.407 3.074 10.783 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -14.418 6.590 9.424 1.00 0.00 H new ATOM 0 HH TYR A 49 -15.260 6.388 11.458 1.00 0.00 H new ATOM 684 N LEU A 50 -15.719 2.263 3.916 1.00 0.00 N ATOM 685 CA LEU A 50 -15.912 2.022 2.497 1.00 0.00 C ATOM 686 C LEU A 50 -14.591 2.180 1.741 1.00 0.00 C ATOM 687 O LEU A 50 -14.179 3.297 1.427 1.00 0.00 O ATOM 688 CB LEU A 50 -16.958 2.992 1.932 1.00 0.00 C ATOM 689 CG LEU A 50 -18.126 2.336 1.188 1.00 0.00 C ATOM 690 CD1 LEU A 50 -19.261 2.020 2.149 1.00 0.00 C ATOM 691 CD2 LEU A 50 -18.613 3.236 0.058 1.00 0.00 C ATOM 0 H LEU A 50 -15.649 3.249 4.166 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.268 1.000 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -17.360 3.586 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -16.459 3.683 1.253 1.00 0.00 H new ATOM 0 HG LEU A 50 -17.775 1.400 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -20.081 1.555 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -18.905 1.337 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -19.611 2.942 2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -19.443 2.754 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -18.946 4.189 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -17.799 3.410 -0.645 1.00 0.00 H new ATOM 703 N PRO A 51 -13.896 1.065 1.450 1.00 0.00 N ATOM 704 CA PRO A 51 -12.612 1.095 0.740 1.00 0.00 C ATOM 705 C PRO A 51 -12.651 1.956 -0.515 1.00 0.00 C ATOM 706 O PRO A 51 -13.703 2.471 -0.897 1.00 0.00 O ATOM 707 CB PRO A 51 -12.391 -0.369 0.376 1.00 0.00 C ATOM 708 CG PRO A 51 -13.046 -1.102 1.486 1.00 0.00 C ATOM 709 CD PRO A 51 -14.289 -0.315 1.797 1.00 0.00 C ATOM 0 HA PRO A 51 -11.819 1.531 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.838 -0.615 -0.587 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.330 -0.610 0.306 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.289 -2.124 1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.392 -1.166 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -15.141 -0.654 1.207 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.572 -0.404 2.846 1.00 0.00 H new ATOM 717 N SER A 52 -11.498 2.103 -1.156 1.00 0.00 N ATOM 718 CA SER A 52 -11.400 2.899 -2.370 1.00 0.00 C ATOM 719 C SER A 52 -9.999 2.782 -2.982 1.00 0.00 C ATOM 720 O SER A 52 -8.995 2.880 -2.275 1.00 0.00 O ATOM 721 CB SER A 52 -11.737 4.357 -2.058 1.00 0.00 C ATOM 722 OG SER A 52 -12.228 5.029 -3.205 1.00 0.00 O ATOM 0 H SER A 52 -10.619 1.681 -0.855 1.00 0.00 H new ATOM 0 HA SER A 52 -12.115 2.521 -3.101 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.482 4.398 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.847 4.867 -1.688 1.00 0.00 H new ATOM 0 HG SER A 52 -12.437 5.959 -2.975 1.00 0.00 H new ATOM 728 N PRO A 53 -9.915 2.542 -4.306 1.00 0.00 N ATOM 729 CA PRO A 53 -8.648 2.381 -5.014 1.00 0.00 C ATOM 730 C PRO A 53 -8.144 3.672 -5.656 1.00 0.00 C ATOM 731 O PRO A 53 -8.370 3.915 -6.842 1.00 0.00 O ATOM 732 CB PRO A 53 -9.029 1.371 -6.089 1.00 0.00 C ATOM 733 CG PRO A 53 -10.439 1.720 -6.445 1.00 0.00 C ATOM 734 CD PRO A 53 -11.054 2.377 -5.226 1.00 0.00 C ATOM 0 HA PRO A 53 -7.836 2.079 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.371 1.445 -6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.954 0.349 -5.718 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.465 2.394 -7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -10.998 0.827 -6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.510 3.335 -5.475 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.836 1.756 -4.788 1.00 0.00 H new ATOM 742 N CYS A 54 -7.462 4.499 -4.868 1.00 0.00 N ATOM 743 CA CYS A 54 -6.927 5.768 -5.364 1.00 0.00 C ATOM 744 C CYS A 54 -5.425 5.882 -5.094 1.00 0.00 C ATOM 745 O CYS A 54 -4.752 4.881 -4.856 1.00 0.00 O ATOM 746 CB CYS A 54 -7.665 6.934 -4.708 1.00 0.00 C ATOM 747 SG CYS A 54 -7.362 7.093 -2.922 1.00 0.00 S ATOM 0 H CYS A 54 -7.266 4.315 -3.884 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.079 5.801 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.369 7.860 -5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.735 6.813 -4.875 1.00 0.00 H new ATOM 752 N GLN A 55 -4.911 7.115 -5.144 1.00 0.00 N ATOM 753 CA GLN A 55 -3.495 7.387 -4.910 1.00 0.00 C ATOM 754 C GLN A 55 -2.605 6.593 -5.862 1.00 0.00 C ATOM 755 O GLN A 55 -3.032 5.599 -6.449 1.00 0.00 O ATOM 756 CB GLN A 55 -3.120 7.105 -3.446 1.00 0.00 C ATOM 757 CG GLN A 55 -2.853 5.640 -3.125 1.00 0.00 C ATOM 758 CD GLN A 55 -1.593 5.447 -2.304 1.00 0.00 C ATOM 759 OE1 GLN A 55 -0.705 6.299 -2.294 1.00 0.00 O ATOM 760 NE2 GLN A 55 -1.509 4.318 -1.615 1.00 0.00 N ATOM 0 H GLN A 55 -5.465 7.947 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.326 8.445 -5.110 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.232 7.685 -3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.926 7.462 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.704 5.229 -2.581 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.767 5.077 -4.055 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.270 3.640 -1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.684 4.127 -1.047 1.00 0.00 H new ATOM 769 N SER A 56 -1.363 7.042 -6.006 1.00 0.00 N ATOM 770 CA SER A 56 -0.411 6.376 -6.885 1.00 0.00 C ATOM 771 C SER A 56 -0.922 6.368 -8.324 1.00 0.00 C ATOM 772 O SER A 56 -1.856 7.096 -8.659 1.00 0.00 O ATOM 773 CB SER A 56 -0.158 4.950 -6.391 1.00 0.00 C ATOM 774 OG SER A 56 0.981 4.906 -5.548 1.00 0.00 O ATOM 0 H SER A 56 -0.993 7.863 -5.526 1.00 0.00 H new ATOM 0 HA SER A 56 0.530 6.925 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.032 4.587 -5.849 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.012 4.285 -7.243 1.00 0.00 H new ATOM 0 HG SER A 56 1.752 4.580 -6.057 1.00 0.00 H new ATOM 780 N GLY A 57 -0.322 5.533 -9.168 1.00 0.00 N ATOM 781 CA GLY A 57 -0.748 5.443 -10.552 1.00 0.00 C ATOM 782 C GLY A 57 -0.904 4.005 -10.944 1.00 0.00 C ATOM 783 O GLY A 57 -1.556 3.243 -10.228 1.00 0.00 O ATOM 0 H GLY A 57 0.452 4.917 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.693 5.970 -10.686 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.017 5.928 -11.199 1.00 0.00 H new ATOM 787 N GLN A 58 -0.282 3.593 -12.035 1.00 0.00 N ATOM 788 CA GLN A 58 -0.363 2.214 -12.409 1.00 0.00 C ATOM 789 C GLN A 58 0.552 1.449 -11.471 1.00 0.00 C ATOM 790 O GLN A 58 1.741 1.265 -11.738 1.00 0.00 O ATOM 791 CB GLN A 58 0.062 2.062 -13.858 1.00 0.00 C ATOM 792 CG GLN A 58 -1.039 2.435 -14.830 1.00 0.00 C ATOM 793 CD GLN A 58 -1.149 1.475 -15.998 1.00 0.00 C ATOM 794 OE1 GLN A 58 -0.494 1.652 -17.024 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.981 0.451 -15.846 1.00 0.00 N ATOM 0 H GLN A 58 0.269 4.185 -12.656 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.378 1.826 -12.328 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.934 2.689 -14.045 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.366 1.031 -14.037 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.991 2.463 -14.299 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.856 3.440 -15.209 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.504 0.344 -14.977 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.097 -0.228 -16.598 1.00 0.00 H new ATOM 804 N LYS A 59 -0.019 1.049 -10.345 1.00 0.00 N ATOM 805 CA LYS A 59 0.705 0.352 -9.319 1.00 0.00 C ATOM 806 C LYS A 59 0.987 -1.113 -9.650 1.00 0.00 C ATOM 807 O LYS A 59 1.989 -1.690 -9.233 1.00 0.00 O ATOM 808 CB LYS A 59 -0.059 0.467 -8.005 1.00 0.00 C ATOM 809 CG LYS A 59 0.826 0.385 -6.782 1.00 0.00 C ATOM 810 CD LYS A 59 0.178 1.063 -5.592 1.00 0.00 C ATOM 811 CE LYS A 59 1.102 2.093 -4.966 1.00 0.00 C ATOM 812 NZ LYS A 59 1.494 1.720 -3.581 1.00 0.00 N ATOM 0 H LYS A 59 -1.003 1.205 -10.126 1.00 0.00 H new ATOM 0 HA LYS A 59 1.683 0.826 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.599 1.414 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.805 -0.326 -7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.027 -0.660 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.787 0.854 -6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.747 1.546 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.091 0.314 -4.847 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.996 2.199 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.607 3.064 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.305 2.517 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.944 0.892 -3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.508 1.490 -3.557 1.00 0.00 H new ATOM 826 N PRO A 60 0.047 -1.720 -10.344 1.00 0.00 N ATOM 827 CA PRO A 60 0.055 -3.127 -10.719 1.00 0.00 C ATOM 828 C PRO A 60 1.393 -3.685 -11.180 1.00 0.00 C ATOM 829 O PRO A 60 2.270 -2.963 -11.654 1.00 0.00 O ATOM 830 CB PRO A 60 -0.994 -3.172 -11.824 1.00 0.00 C ATOM 831 CG PRO A 60 -1.990 -2.158 -11.374 1.00 0.00 C ATOM 832 CD PRO A 60 -1.172 -1.054 -10.764 1.00 0.00 C ATOM 0 HA PRO A 60 -0.153 -3.763 -9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.569 -2.919 -12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -1.439 -4.162 -11.919 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.586 -1.792 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.685 -2.582 -10.649 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.968 -0.262 -11.485 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.687 -0.593 -9.921 1.00 0.00 H new ATOM 840 N CYS A 61 1.518 -5.005 -11.029 1.00 0.00 N ATOM 841 CA CYS A 61 2.714 -5.727 -11.405 1.00 0.00 C ATOM 842 C CYS A 61 2.442 -7.225 -11.517 1.00 0.00 C ATOM 843 O CYS A 61 1.500 -7.753 -10.916 1.00 0.00 O ATOM 844 CB CYS A 61 3.841 -5.483 -10.396 1.00 0.00 C ATOM 845 SG CYS A 61 3.286 -4.853 -8.771 1.00 0.00 S ATOM 0 H CYS A 61 0.784 -5.597 -10.640 1.00 0.00 H new ATOM 0 HA CYS A 61 3.025 -5.354 -12.381 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.382 -6.417 -10.243 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.547 -4.772 -10.825 1.00 0.00 H new ATOM 850 N GLY A 62 3.283 -7.898 -12.293 1.00 0.00 N ATOM 851 CA GLY A 62 3.146 -9.323 -12.503 1.00 0.00 C ATOM 852 C GLY A 62 3.444 -10.157 -11.269 1.00 0.00 C ATOM 853 O GLY A 62 3.485 -11.385 -11.345 1.00 0.00 O ATOM 0 H GLY A 62 4.068 -7.473 -12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.130 -9.535 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.816 -9.628 -13.307 1.00 0.00 H new ATOM 857 N SER A 63 3.661 -9.506 -10.133 1.00 0.00 N ATOM 858 CA SER A 63 3.956 -10.216 -8.910 1.00 0.00 C ATOM 859 C SER A 63 2.683 -10.499 -8.117 1.00 0.00 C ATOM 860 O SER A 63 2.598 -10.203 -6.924 1.00 0.00 O ATOM 861 CB SER A 63 4.940 -9.419 -8.061 1.00 0.00 C ATOM 862 OG SER A 63 5.476 -10.214 -7.022 1.00 0.00 O ATOM 0 H SER A 63 3.637 -8.491 -10.040 1.00 0.00 H new ATOM 0 HA SER A 63 4.409 -11.171 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.748 -9.044 -8.690 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.438 -8.550 -7.636 1.00 0.00 H new ATOM 0 HG SER A 63 6.229 -9.744 -6.606 1.00 0.00 H new ATOM 868 N GLY A 64 1.700 -11.085 -8.791 1.00 0.00 N ATOM 869 CA GLY A 64 0.448 -11.419 -8.148 1.00 0.00 C ATOM 870 C GLY A 64 -0.251 -10.235 -7.516 1.00 0.00 C ATOM 871 O GLY A 64 -0.969 -10.385 -6.527 1.00 0.00 O ATOM 0 H GLY A 64 1.751 -11.335 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.217 -11.871 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.634 -12.171 -7.381 1.00 0.00 H new ATOM 875 N GLY A 65 -0.060 -9.064 -8.095 1.00 0.00 N ATOM 876 CA GLY A 65 -0.702 -7.874 -7.581 1.00 0.00 C ATOM 877 C GLY A 65 -0.128 -6.567 -8.058 1.00 0.00 C ATOM 878 O GLY A 65 0.417 -6.469 -9.158 1.00 0.00 O ATOM 0 H GLY A 65 0.529 -8.914 -8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.757 -7.907 -7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.651 -7.897 -6.492 1.00 0.00 H new ATOM 882 N ARG A 66 -0.287 -5.545 -7.225 1.00 0.00 N ATOM 883 CA ARG A 66 0.183 -4.214 -7.541 1.00 0.00 C ATOM 884 C ARG A 66 1.235 -3.752 -6.534 1.00 0.00 C ATOM 885 O ARG A 66 1.370 -4.344 -5.466 1.00 0.00 O ATOM 886 CB ARG A 66 -0.975 -3.207 -7.570 1.00 0.00 C ATOM 887 CG ARG A 66 -2.339 -3.804 -7.906 1.00 0.00 C ATOM 888 CD ARG A 66 -2.278 -4.736 -9.107 1.00 0.00 C ATOM 889 NE ARG A 66 -3.598 -5.071 -9.624 1.00 0.00 N ATOM 890 CZ ARG A 66 -4.432 -5.915 -9.032 1.00 0.00 C ATOM 891 NH1 ARG A 66 -4.100 -6.496 -7.887 1.00 0.00 N ATOM 892 NH2 ARG A 66 -5.604 -6.179 -9.590 1.00 0.00 N ATOM 0 H ARG A 66 -0.744 -5.622 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 66 0.634 -4.258 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.038 -2.720 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.744 -2.431 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.717 -4.351 -7.042 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.046 -2.999 -8.108 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.691 -4.267 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.759 -5.652 -8.825 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.899 -4.630 -10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.198 -6.295 -7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.747 -7.144 -7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.861 -5.734 -10.471 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.249 -6.827 -9.139 1.00 0.00 H new ATOM 906 N CYS A 67 1.969 -2.683 -6.864 1.00 0.00 N ATOM 907 CA CYS A 67 2.986 -2.162 -5.953 1.00 0.00 C ATOM 908 C CYS A 67 2.324 -1.764 -4.628 1.00 0.00 C ATOM 909 O CYS A 67 1.143 -1.421 -4.605 1.00 0.00 O ATOM 910 CB CYS A 67 3.751 -0.983 -6.575 1.00 0.00 C ATOM 911 SG CYS A 67 5.377 -0.658 -5.818 1.00 0.00 S ATOM 0 H CYS A 67 1.878 -2.171 -7.741 1.00 0.00 H new ATOM 0 HA CYS A 67 3.721 -2.944 -5.761 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.891 -1.177 -7.638 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.139 -0.085 -6.493 1.00 0.00 H new ATOM 916 N ALA A 68 3.048 -1.871 -3.519 1.00 0.00 N ATOM 917 CA ALA A 68 2.453 -1.578 -2.213 1.00 0.00 C ATOM 918 C ALA A 68 3.409 -0.893 -1.228 1.00 0.00 C ATOM 919 O ALA A 68 2.971 -0.197 -0.312 1.00 0.00 O ATOM 920 CB ALA A 68 1.987 -2.891 -1.631 1.00 0.00 C ATOM 0 H ALA A 68 4.028 -2.152 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 68 1.637 -0.872 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.536 -2.716 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.250 -3.342 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.838 -3.563 -1.523 1.00 0.00 H new ATOM 926 N ALA A 69 4.700 -1.110 -1.417 1.00 0.00 N ATOM 927 CA ALA A 69 5.734 -0.544 -0.547 1.00 0.00 C ATOM 928 C ALA A 69 7.089 -0.553 -1.209 1.00 0.00 C ATOM 929 O ALA A 69 7.185 -0.838 -2.400 1.00 0.00 O ATOM 930 CB ALA A 69 5.824 -1.284 0.757 1.00 0.00 C ATOM 0 H ALA A 69 5.068 -1.683 -2.177 1.00 0.00 H new ATOM 0 HA ALA A 69 5.439 0.488 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.601 -0.836 1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.867 -1.225 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.069 -2.329 0.566 1.00 0.00 H new ATOM 936 N ALA A 70 8.144 -0.233 -0.432 1.00 0.00 N ATOM 937 CA ALA A 70 9.497 -0.224 -0.979 1.00 0.00 C ATOM 938 C ALA A 70 9.655 -1.407 -1.880 1.00 0.00 C ATOM 939 O ALA A 70 10.044 -2.479 -1.428 1.00 0.00 O ATOM 940 CB ALA A 70 10.554 -0.320 0.101 1.00 0.00 C ATOM 0 H ALA A 70 8.079 0.016 0.555 1.00 0.00 H new ATOM 0 HA ALA A 70 9.632 0.718 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.543 -0.310 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.459 0.528 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.422 -1.247 0.658 1.00 0.00 H new ATOM 946 N GLY A 71 9.282 -1.254 -3.126 1.00 0.00 N ATOM 947 CA GLY A 71 9.354 -2.370 -3.999 1.00 0.00 C ATOM 948 C GLY A 71 8.567 -3.541 -3.453 1.00 0.00 C ATOM 949 O GLY A 71 9.135 -4.570 -3.105 1.00 0.00 O ATOM 0 H GLY A 71 8.936 -0.388 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.967 -2.094 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.395 -2.661 -4.137 1.00 0.00 H new ATOM 953 N ILE A 72 7.254 -3.394 -3.410 1.00 0.00 N ATOM 954 CA ILE A 72 6.384 -4.446 -2.941 1.00 0.00 C ATOM 955 C ILE A 72 5.184 -4.533 -3.847 1.00 0.00 C ATOM 956 O ILE A 72 4.583 -3.526 -4.195 1.00 0.00 O ATOM 957 CB ILE A 72 5.881 -4.252 -1.487 1.00 0.00 C ATOM 958 CG1 ILE A 72 6.966 -4.593 -0.460 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.638 -5.101 -1.230 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.068 -6.067 -0.118 1.00 0.00 C ATOM 0 H ILE A 72 6.768 -2.545 -3.699 1.00 0.00 H new ATOM 0 HA ILE A 72 6.979 -5.359 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 72 5.626 -3.198 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.929 -4.254 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.771 -4.033 0.455 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.301 -4.951 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.847 -4.806 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.878 -6.153 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.861 -6.216 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.120 -6.411 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.296 -6.635 -1.020 1.00 0.00 H new ATOM 972 N CYS A 73 4.835 -5.742 -4.201 1.00 0.00 N ATOM 973 CA CYS A 73 3.702 -5.994 -5.030 1.00 0.00 C ATOM 974 C CYS A 73 2.824 -6.957 -4.255 1.00 0.00 C ATOM 975 O CYS A 73 3.212 -8.097 -3.986 1.00 0.00 O ATOM 976 CB CYS A 73 4.148 -6.517 -6.400 1.00 0.00 C ATOM 977 SG CYS A 73 2.863 -6.519 -7.685 1.00 0.00 S ATOM 0 H CYS A 73 5.338 -6.582 -3.916 1.00 0.00 H new ATOM 0 HA CYS A 73 3.131 -5.093 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.985 -5.911 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.519 -7.535 -6.279 1.00 0.00 H new ATOM 982 N CYS A 74 1.699 -6.441 -3.784 1.00 0.00 N ATOM 983 CA CYS A 74 0.822 -7.202 -2.916 1.00 0.00 C ATOM 984 C CYS A 74 -0.322 -7.916 -3.612 1.00 0.00 C ATOM 985 O CYS A 74 -0.795 -7.515 -4.672 1.00 0.00 O ATOM 986 CB CYS A 74 0.276 -6.283 -1.836 1.00 0.00 C ATOM 987 SG CYS A 74 -0.068 -7.129 -0.267 1.00 0.00 S ATOM 0 H CYS A 74 1.374 -5.496 -3.990 1.00 0.00 H new ATOM 0 HA CYS A 74 1.436 -7.999 -2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.992 -5.481 -1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.641 -5.817 -2.197 1.00 0.00 H new ATOM 992 N SER A 75 -0.761 -8.981 -2.947 1.00 0.00 N ATOM 993 CA SER A 75 -1.851 -9.812 -3.396 1.00 0.00 C ATOM 994 C SER A 75 -2.945 -9.852 -2.331 1.00 0.00 C ATOM 995 O SER A 75 -2.818 -9.214 -1.287 1.00 0.00 O ATOM 996 CB SER A 75 -1.340 -11.223 -3.699 1.00 0.00 C ATOM 997 OG SER A 75 -0.051 -11.176 -4.286 1.00 0.00 O ATOM 0 H SER A 75 -0.354 -9.289 -2.064 1.00 0.00 H new ATOM 0 HA SER A 75 -2.272 -9.393 -4.310 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.305 -11.807 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.033 -11.729 -4.372 1.00 0.00 H new ATOM 0 HG SER A 75 -0.133 -11.230 -5.261 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.038 -10.592 -2.572 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.146 -10.689 -1.618 1.00 0.00 C ATOM 1005 C PRO A 76 -4.777 -11.516 -0.390 1.00 0.00 C ATOM 1006 O PRO A 76 -5.524 -11.557 0.588 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.245 -11.414 -2.407 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.793 -11.411 -3.830 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.297 -11.375 -3.784 1.00 0.00 C ATOM 0 HA PRO A 76 -5.438 -9.707 -1.245 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.382 -12.432 -2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.203 -10.906 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.147 -12.299 -4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.188 -10.547 -4.364 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.868 -12.375 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.875 -10.903 -4.671 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.625 -12.177 -0.446 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.166 -13.006 0.665 1.00 0.00 C ATOM 1019 C ASP A 77 -2.009 -12.346 1.419 1.00 0.00 C ATOM 1020 O ASP A 77 -1.894 -12.485 2.637 1.00 0.00 O ATOM 1021 CB ASP A 77 -2.738 -14.383 0.149 1.00 0.00 C ATOM 1022 CG ASP A 77 -3.587 -15.503 0.717 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -3.951 -15.424 1.909 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -3.888 -16.456 -0.031 1.00 0.00 O ATOM 0 H ASP A 77 -2.993 -12.155 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.996 -13.121 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.804 -14.397 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.693 -14.556 0.407 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.158 -11.624 0.693 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.035 -10.959 1.313 1.00 0.00 C ATOM 1031 C GLY A 78 0.851 -10.243 0.311 1.00 0.00 C ATOM 1032 O GLY A 78 0.693 -10.412 -0.898 1.00 0.00 O ATOM 0 H GLY A 78 -1.231 -11.490 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.403 -10.240 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.560 -11.692 1.858 1.00 0.00 H new ATOM 1036 N CYS A 79 1.783 -9.434 0.809 1.00 0.00 N ATOM 1037 CA CYS A 79 2.683 -8.704 -0.062 1.00 0.00 C ATOM 1038 C CYS A 79 4.035 -9.395 -0.180 1.00 0.00 C ATOM 1039 O CYS A 79 4.384 -10.262 0.622 1.00 0.00 O ATOM 1040 CB CYS A 79 2.892 -7.274 0.436 1.00 0.00 C ATOM 1041 SG CYS A 79 1.373 -6.408 0.957 1.00 0.00 S ATOM 0 H CYS A 79 1.930 -9.272 1.805 1.00 0.00 H new ATOM 0 HA CYS A 79 2.215 -8.679 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.586 -7.296 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.368 -6.696 -0.356 1.00 0.00 H new ATOM 1046 N GLU A 80 4.796 -8.976 -1.182 1.00 0.00 N ATOM 1047 CA GLU A 80 6.119 -9.504 -1.429 1.00 0.00 C ATOM 1048 C GLU A 80 6.955 -8.459 -2.152 1.00 0.00 C ATOM 1049 O GLU A 80 6.431 -7.706 -2.973 1.00 0.00 O ATOM 1050 CB GLU A 80 6.045 -10.798 -2.237 1.00 0.00 C ATOM 1051 CG GLU A 80 5.551 -10.607 -3.661 1.00 0.00 C ATOM 1052 CD GLU A 80 6.523 -11.145 -4.694 1.00 0.00 C ATOM 1053 OE1 GLU A 80 6.487 -12.364 -4.963 1.00 0.00 O ATOM 1054 OE2 GLU A 80 7.317 -10.348 -5.237 1.00 0.00 O ATOM 0 H GLU A 80 4.506 -8.257 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 80 6.592 -9.738 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.034 -11.255 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.385 -11.498 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.589 -11.107 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.383 -9.546 -3.844 1.00 0.00 H new ATOM 1061 N GLU A 81 8.247 -8.388 -1.847 1.00 0.00 N ATOM 1062 CA GLU A 81 9.094 -7.406 -2.475 1.00 0.00 C ATOM 1063 C GLU A 81 9.145 -7.620 -3.974 1.00 0.00 C ATOM 1064 O GLU A 81 9.609 -8.656 -4.449 1.00 0.00 O ATOM 1065 CB GLU A 81 10.488 -7.451 -1.871 1.00 0.00 C ATOM 1066 CG GLU A 81 10.984 -8.844 -1.584 1.00 0.00 C ATOM 1067 CD GLU A 81 11.306 -9.061 -0.119 1.00 0.00 C ATOM 1068 OE1 GLU A 81 10.477 -8.680 0.734 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.388 -9.610 0.174 1.00 0.00 O ATOM 0 H GLU A 81 8.717 -8.995 -1.176 1.00 0.00 H new ATOM 0 HA GLU A 81 8.673 -6.417 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.184 -6.961 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.491 -6.877 -0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.229 -9.565 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.876 -9.038 -2.180 1.00 0.00 H new ATOM 1076 N ASP A 82 8.653 -6.633 -4.709 1.00 0.00 N ATOM 1077 CA ASP A 82 8.617 -6.700 -6.147 1.00 0.00 C ATOM 1078 C ASP A 82 9.810 -5.965 -6.760 1.00 0.00 C ATOM 1079 O ASP A 82 9.875 -4.741 -6.755 1.00 0.00 O ATOM 1080 CB ASP A 82 7.297 -6.119 -6.658 1.00 0.00 C ATOM 1081 CG ASP A 82 7.056 -4.712 -6.176 1.00 0.00 C ATOM 1082 OD1 ASP A 82 7.990 -4.122 -5.611 1.00 0.00 O ATOM 1083 OD2 ASP A 82 5.941 -4.188 -6.382 1.00 0.00 O ATOM 0 H ASP A 82 8.271 -5.771 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 82 8.683 -7.745 -6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.298 -6.130 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.474 -6.756 -6.333 1.00 0.00 H new ATOM 1088 N PRO A 83 10.776 -6.726 -7.292 1.00 0.00 N ATOM 1089 CA PRO A 83 11.969 -6.187 -7.917 1.00 0.00 C ATOM 1090 C PRO A 83 11.599 -5.219 -9.009 1.00 0.00 C ATOM 1091 O PRO A 83 12.405 -4.436 -9.496 1.00 0.00 O ATOM 1092 CB PRO A 83 12.662 -7.425 -8.483 1.00 0.00 C ATOM 1093 CG PRO A 83 12.180 -8.531 -7.622 1.00 0.00 C ATOM 1094 CD PRO A 83 10.760 -8.170 -7.312 1.00 0.00 C ATOM 0 HA PRO A 83 12.605 -5.629 -7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.397 -7.588 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.747 -7.330 -8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.243 -9.491 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.776 -8.616 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.074 -8.553 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.441 -8.581 -6.354 1.00 0.00 H new ATOM 1102 N ALA A 84 10.346 -5.279 -9.357 1.00 0.00 N ATOM 1103 CA ALA A 84 9.780 -4.424 -10.331 1.00 0.00 C ATOM 1104 C ALA A 84 9.633 -3.017 -9.772 1.00 0.00 C ATOM 1105 O ALA A 84 9.614 -2.034 -10.512 1.00 0.00 O ATOM 1106 CB ALA A 84 8.433 -5.000 -10.693 1.00 0.00 C ATOM 0 H ALA A 84 9.684 -5.943 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 84 10.417 -4.358 -11.213 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.958 -4.370 -11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.563 -6.006 -11.092 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.804 -5.041 -9.804 1.00 0.00 H new ATOM 1112 N CYS A 85 9.450 -2.944 -8.455 1.00 0.00 N ATOM 1113 CA CYS A 85 9.218 -1.681 -7.790 1.00 0.00 C ATOM 1114 C CYS A 85 10.378 -1.090 -6.942 1.00 0.00 C ATOM 1115 O CYS A 85 10.419 0.136 -6.830 1.00 0.00 O ATOM 1116 CB CYS A 85 7.940 -1.765 -6.956 1.00 0.00 C ATOM 1117 SG CYS A 85 6.652 -0.558 -7.398 1.00 0.00 S ATOM 0 H CYS A 85 9.460 -3.752 -7.833 1.00 0.00 H new ATOM 0 HA CYS A 85 9.126 -0.969 -8.610 1.00 0.00 H new ATOM 0 HB2 CYS A 85 7.525 -2.768 -7.054 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.200 -1.629 -5.906 1.00 0.00 H new ATOM 1122 N ASP A 86 11.308 -1.866 -6.302 1.00 0.00 N ATOM 1123 CA ASP A 86 12.337 -1.140 -5.477 1.00 0.00 C ATOM 1124 C ASP A 86 13.379 -1.892 -4.598 1.00 0.00 C ATOM 1125 O ASP A 86 14.407 -1.290 -4.278 1.00 0.00 O ATOM 1126 CB ASP A 86 11.596 -0.288 -4.453 1.00 0.00 C ATOM 1127 CG ASP A 86 12.441 0.842 -3.893 1.00 0.00 C ATOM 1128 OD1 ASP A 86 13.367 0.556 -3.104 1.00 0.00 O ATOM 1129 OD2 ASP A 86 12.173 2.013 -4.234 1.00 0.00 O ATOM 0 H ASP A 86 11.373 -2.884 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 86 12.915 -0.670 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.702 0.130 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.262 -0.924 -3.633 1.00 0.00 H new ATOM 1134 N PRO A 87 13.137 -3.099 -4.060 1.00 0.00 N ATOM 1135 CA PRO A 87 14.048 -3.727 -3.103 1.00 0.00 C ATOM 1136 C PRO A 87 14.821 -4.851 -3.711 1.00 0.00 C ATOM 1137 O PRO A 87 16.014 -4.748 -4.001 1.00 0.00 O ATOM 1138 CB PRO A 87 13.050 -4.258 -2.056 1.00 0.00 C ATOM 1139 CG PRO A 87 11.705 -4.136 -2.711 1.00 0.00 C ATOM 1140 CD PRO A 87 11.973 -3.933 -4.175 1.00 0.00 C ATOM 0 HA PRO A 87 14.810 -3.051 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.268 -5.292 -1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.096 -3.676 -1.135 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.107 -5.032 -2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.144 -3.298 -2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.170 -4.866 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.149 -3.442 -4.693 1.00 0.00 H new ATOM 1148 N GLU A 88 14.083 -5.898 -3.968 1.00 0.00 N ATOM 1149 CA GLU A 88 14.603 -7.056 -4.630 1.00 0.00 C ATOM 1150 C GLU A 88 14.856 -6.636 -6.080 1.00 0.00 C ATOM 1151 O GLU A 88 15.424 -7.365 -6.895 1.00 0.00 O ATOM 1152 CB GLU A 88 13.569 -8.190 -4.520 1.00 0.00 C ATOM 1153 CG GLU A 88 14.115 -9.574 -4.832 1.00 0.00 C ATOM 1154 CD GLU A 88 13.105 -10.670 -4.547 1.00 0.00 C ATOM 1155 OE1 GLU A 88 12.947 -11.041 -3.365 1.00 0.00 O ATOM 1156 OE2 GLU A 88 12.469 -11.157 -5.507 1.00 0.00 O ATOM 0 H GLU A 88 13.096 -5.968 -3.720 1.00 0.00 H new ATOM 0 HA GLU A 88 15.529 -7.425 -4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.159 -8.194 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.743 -7.978 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.409 -9.618 -5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.014 -9.749 -4.241 1.00 0.00 H new ATOM 1163 N ALA A 89 14.408 -5.403 -6.333 1.00 0.00 N ATOM 1164 CA ALA A 89 14.503 -4.699 -7.589 1.00 0.00 C ATOM 1165 C ALA A 89 15.896 -4.151 -7.850 1.00 0.00 C ATOM 1166 O ALA A 89 16.889 -4.610 -7.287 1.00 0.00 O ATOM 1167 CB ALA A 89 13.531 -3.532 -7.513 1.00 0.00 C ATOM 0 H ALA A 89 13.943 -4.847 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 89 14.274 -5.392 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.567 -2.967 -8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.521 -3.910 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.808 -2.882 -6.683 1.00 0.00 H new ATOM 1173 N ALA A 90 15.922 -3.110 -8.675 1.00 0.00 N ATOM 1174 CA ALA A 90 17.126 -2.388 -9.006 1.00 0.00 C ATOM 1175 C ALA A 90 17.623 -1.713 -7.748 1.00 0.00 C ATOM 1176 O ALA A 90 16.988 -1.837 -6.700 1.00 0.00 O ATOM 1177 CB ALA A 90 16.814 -1.330 -10.054 1.00 0.00 C ATOM 0 H ALA A 90 15.088 -2.745 -9.136 1.00 0.00 H new ATOM 0 HA ALA A 90 17.880 -3.068 -9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 90 17.725 -0.785 -10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 90 16.422 -1.810 -10.950 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.072 -0.636 -9.660 1.00 0.00 H new ATOM 1183 N PHE A 91 18.711 -0.964 -7.832 1.00 0.00 N ATOM 1184 CA PHE A 91 19.189 -0.253 -6.657 1.00 0.00 C ATOM 1185 C PHE A 91 18.236 0.916 -6.429 1.00 0.00 C ATOM 1186 O PHE A 91 18.609 2.085 -6.522 1.00 0.00 O ATOM 1187 CB PHE A 91 20.621 0.246 -6.875 1.00 0.00 C ATOM 1188 CG PHE A 91 21.597 -0.259 -5.852 1.00 0.00 C ATOM 1189 CD1 PHE A 91 21.394 -0.014 -4.505 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.716 -0.978 -6.240 1.00 0.00 C ATOM 1191 CE1 PHE A 91 22.288 -0.480 -3.560 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.614 -1.446 -5.300 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.400 -1.196 -3.959 1.00 0.00 C ATOM 0 H PHE A 91 19.267 -0.834 -8.677 1.00 0.00 H new ATOM 0 HA PHE A 91 19.209 -0.909 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 91 20.956 -0.060 -7.866 1.00 0.00 H new ATOM 0 HB3 PHE A 91 20.623 1.336 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 91 20.527 0.548 -4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.888 -1.175 -7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 91 22.118 -0.285 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 91 24.482 -2.007 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.101 -1.560 -3.223 1.00 0.00 H new ATOM 1203 N SER A 92 16.980 0.558 -6.164 1.00 0.00 N ATOM 1204 CA SER A 92 15.909 1.512 -5.956 1.00 0.00 C ATOM 1205 C SER A 92 15.590 1.679 -4.474 1.00 0.00 C ATOM 1206 O SER A 92 15.047 2.740 -4.101 1.00 0.00 O ATOM 1207 CB SER A 92 14.670 1.039 -6.734 1.00 0.00 C ATOM 1208 OG SER A 92 13.490 1.636 -6.233 1.00 0.00 O ATOM 1209 OXT SER A 92 15.882 0.744 -3.699 1.00 0.00 O ATOM 0 H SER A 92 16.682 -0.415 -6.088 1.00 0.00 H new ATOM 0 HA SER A 92 16.224 2.489 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.785 1.285 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.588 -0.046 -6.667 1.00 0.00 H new ATOM 0 HG SER A 92 13.699 2.141 -5.419 1.00 0.00 H new TER 1215 SER A 92