USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot 167:sc= -6.76! USER MOD Set 1.2: A 34 THR OG1 : rot 86:sc= 1.78 USER MOD Single : A 2 SER OG : rot -43:sc= -9.22! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.15) USER MOD Single : A 24 SER OG : rot 180:sc= -0.431 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 38 SER OG : rot -172:sc= -1.44! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.33 K(o=-4.3,f=-2.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.00199 USER MOD Single : A 67 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.22) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 9.614 8.238 6.175 1.00 0.00 N ATOM 41 CA SER A 2 10.210 8.403 7.522 1.00 0.00 C ATOM 42 C SER A 2 11.394 7.440 7.612 1.00 0.00 C ATOM 43 O SER A 2 11.773 6.884 6.606 1.00 0.00 O ATOM 44 CB SER A 2 9.141 8.075 8.564 1.00 0.00 C ATOM 45 OG SER A 2 9.334 6.747 9.032 1.00 0.00 O ATOM 0 HA SER A 2 10.558 9.420 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.199 8.778 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.147 8.178 8.128 1.00 0.00 H new ATOM 0 HG SER A 2 9.539 6.160 8.275 1.00 0.00 H new ATOM 51 N PRO A 3 11.953 7.266 8.789 1.00 0.00 N ATOM 52 CA PRO A 3 13.100 6.347 8.980 1.00 0.00 C ATOM 53 C PRO A 3 12.692 4.867 8.760 1.00 0.00 C ATOM 54 O PRO A 3 12.732 4.079 9.682 1.00 0.00 O ATOM 55 CB PRO A 3 13.521 6.555 10.443 1.00 0.00 C ATOM 56 CG PRO A 3 12.571 7.607 11.069 1.00 0.00 C ATOM 57 CD PRO A 3 11.526 7.983 10.010 1.00 0.00 C ATOM 0 HA PRO A 3 13.898 6.555 8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 3 13.465 5.616 10.993 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.555 6.895 10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.086 7.203 11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.130 8.488 11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.525 7.681 10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.498 9.060 9.847 1.00 0.00 H new ATOM 65 N GLU A 4 12.319 4.473 7.555 1.00 0.00 N ATOM 66 CA GLU A 4 11.943 3.052 7.306 1.00 0.00 C ATOM 67 C GLU A 4 10.515 2.778 7.779 1.00 0.00 C ATOM 68 O GLU A 4 10.223 1.715 8.291 1.00 0.00 O ATOM 69 CB GLU A 4 12.918 2.122 8.034 1.00 0.00 C ATOM 70 CG GLU A 4 14.342 2.655 7.871 1.00 0.00 C ATOM 71 CD GLU A 4 15.335 1.491 7.920 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.263 0.716 8.859 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.149 1.394 7.016 1.00 0.00 O ATOM 0 H GLU A 4 12.262 5.083 6.739 1.00 0.00 H new ATOM 0 HA GLU A 4 11.994 2.864 6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.659 2.060 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.847 1.113 7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.436 3.187 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.566 3.371 8.662 1.00 0.00 H new ATOM 80 N GLU A 5 9.607 3.705 7.598 1.00 0.00 N ATOM 81 CA GLU A 5 8.210 3.437 8.029 1.00 0.00 C ATOM 82 C GLU A 5 7.429 2.864 6.848 1.00 0.00 C ATOM 83 O GLU A 5 6.577 2.013 7.009 1.00 0.00 O ATOM 84 CB GLU A 5 7.549 4.719 8.501 1.00 0.00 C ATOM 85 CG GLU A 5 7.738 4.864 10.014 1.00 0.00 C ATOM 86 CD GLU A 5 6.749 5.896 10.559 1.00 0.00 C ATOM 87 OE1 GLU A 5 7.029 7.078 10.440 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.728 5.488 11.086 1.00 0.00 O ATOM 0 H GLU A 5 9.773 4.619 7.177 1.00 0.00 H new ATOM 0 HA GLU A 5 8.218 2.724 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.983 5.576 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.487 4.705 8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.583 3.903 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.760 5.173 10.235 1.00 0.00 H new ATOM 95 N LEU A 6 7.707 3.332 5.660 1.00 0.00 N ATOM 96 CA LEU A 6 6.975 2.824 4.475 1.00 0.00 C ATOM 97 C LEU A 6 7.477 1.424 4.133 1.00 0.00 C ATOM 98 O LEU A 6 6.747 0.598 3.633 1.00 0.00 O ATOM 99 CB LEU A 6 7.246 3.718 3.271 1.00 0.00 C ATOM 100 CG LEU A 6 5.968 4.056 2.508 1.00 0.00 C ATOM 101 CD1 LEU A 6 6.220 3.906 1.006 1.00 0.00 C ATOM 102 CD2 LEU A 6 4.785 3.152 2.893 1.00 0.00 C ATOM 0 H LEU A 6 8.410 4.044 5.464 1.00 0.00 H new ATOM 0 HA LEU A 6 5.909 2.811 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.723 4.640 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.947 3.220 2.601 1.00 0.00 H new ATOM 0 HG LEU A 6 5.705 5.081 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.309 4.147 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.017 4.585 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.514 2.880 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.905 3.440 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.036 2.113 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.575 3.261 3.957 1.00 0.00 H new ATOM 114 N LYS A 7 8.727 1.160 4.379 1.00 0.00 N ATOM 115 CA LYS A 7 9.275 -0.182 4.049 1.00 0.00 C ATOM 116 C LYS A 7 8.806 -1.197 5.092 1.00 0.00 C ATOM 117 O LYS A 7 9.165 -2.357 5.045 1.00 0.00 O ATOM 118 CB LYS A 7 10.801 -0.121 4.038 1.00 0.00 C ATOM 119 CG LYS A 7 11.344 -1.173 3.069 1.00 0.00 C ATOM 120 CD LYS A 7 12.832 -1.397 3.341 1.00 0.00 C ATOM 121 CE LYS A 7 12.995 -2.461 4.429 1.00 0.00 C ATOM 122 NZ LYS A 7 14.212 -3.273 4.150 1.00 0.00 N ATOM 0 H LYS A 7 9.392 1.813 4.793 1.00 0.00 H new ATOM 0 HA LYS A 7 8.920 -0.488 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.134 0.872 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.190 -0.298 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.797 -2.108 3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.197 -0.845 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.336 -1.714 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.300 -0.464 3.656 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.077 -1.987 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.115 -3.103 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.324 -3.996 4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.116 -3.736 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.048 -2.654 4.142 1.00 0.00 H new ATOM 136 N GLY A 8 8.010 -0.774 6.035 1.00 0.00 N ATOM 137 CA GLY A 8 7.529 -1.726 7.074 1.00 0.00 C ATOM 138 C GLY A 8 6.257 -2.426 6.594 1.00 0.00 C ATOM 139 O GLY A 8 6.111 -3.623 6.740 1.00 0.00 O ATOM 0 H GLY A 8 7.674 0.184 6.131 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.302 -2.465 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.332 -1.193 8.004 1.00 0.00 H new ATOM 143 N ILE A 9 5.336 -1.702 6.015 1.00 0.00 N ATOM 144 CA ILE A 9 4.099 -2.338 5.532 1.00 0.00 C ATOM 145 C ILE A 9 4.454 -3.433 4.545 1.00 0.00 C ATOM 146 O ILE A 9 3.994 -4.542 4.631 1.00 0.00 O ATOM 147 CB ILE A 9 3.277 -1.277 4.834 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.054 -1.909 4.179 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.135 -0.569 3.783 1.00 0.00 C ATOM 150 CD1 ILE A 9 1.530 -0.963 3.117 1.00 0.00 C ATOM 0 H ILE A 9 5.397 -0.696 5.860 1.00 0.00 H new ATOM 0 HA ILE A 9 3.539 -2.772 6.360 1.00 0.00 H new ATOM 0 HB ILE A 9 2.939 -0.545 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.317 -2.869 3.734 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.284 -2.104 4.925 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.540 0.195 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.992 -0.101 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.485 -1.295 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.654 -1.402 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.255 -0.015 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.304 -0.791 2.369 1.00 0.00 H new ATOM 162 N PHE A 10 5.279 -3.132 3.606 1.00 0.00 N ATOM 163 CA PHE A 10 5.659 -4.165 2.628 1.00 0.00 C ATOM 164 C PHE A 10 5.894 -5.546 3.262 1.00 0.00 C ATOM 165 O PHE A 10 4.997 -6.348 3.346 1.00 0.00 O ATOM 166 CB PHE A 10 6.871 -3.710 1.817 1.00 0.00 C ATOM 167 CG PHE A 10 6.498 -3.582 0.373 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.224 -3.172 -0.034 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.439 -3.987 -0.568 1.00 0.00 C ATOM 170 CE1 PHE A 10 4.905 -3.181 -1.398 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.129 -3.975 -1.913 1.00 0.00 C ATOM 172 CZ PHE A 10 5.869 -3.584 -2.335 1.00 0.00 C ATOM 0 H PHE A 10 5.708 -2.217 3.470 1.00 0.00 H new ATOM 0 HA PHE A 10 4.811 -4.290 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.234 -2.754 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.685 -4.427 1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.494 -2.852 0.695 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.417 -4.312 -0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.922 -2.879 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.872 -4.272 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.628 -3.589 -3.388 1.00 0.00 H new ATOM 182 N GLU A 11 7.076 -5.845 3.694 1.00 0.00 N ATOM 183 CA GLU A 11 7.345 -7.201 4.293 1.00 0.00 C ATOM 184 C GLU A 11 6.264 -7.570 5.322 1.00 0.00 C ATOM 185 O GLU A 11 6.111 -8.713 5.706 1.00 0.00 O ATOM 186 CB GLU A 11 8.711 -7.184 4.981 1.00 0.00 C ATOM 187 CG GLU A 11 9.769 -7.745 4.030 1.00 0.00 C ATOM 188 CD GLU A 11 10.743 -8.630 4.810 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.337 -9.169 5.827 1.00 0.00 O ATOM 190 OE2 GLU A 11 11.875 -8.756 4.376 1.00 0.00 O ATOM 0 H GLU A 11 7.880 -5.218 3.665 1.00 0.00 H new ATOM 0 HA GLU A 11 7.332 -7.943 3.495 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.971 -6.166 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.677 -7.777 5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.291 -8.322 3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.309 -6.930 3.548 1.00 0.00 H new ATOM 197 N LYS A 12 5.531 -6.601 5.761 1.00 0.00 N ATOM 198 CA LYS A 12 4.445 -6.828 6.772 1.00 0.00 C ATOM 199 C LYS A 12 3.167 -7.276 6.061 1.00 0.00 C ATOM 200 O LYS A 12 2.873 -8.451 5.959 1.00 0.00 O ATOM 201 CB LYS A 12 4.186 -5.524 7.535 1.00 0.00 C ATOM 202 CG LYS A 12 3.039 -5.727 8.526 1.00 0.00 C ATOM 203 CD LYS A 12 3.422 -5.114 9.876 1.00 0.00 C ATOM 204 CE LYS A 12 2.603 -5.767 10.991 1.00 0.00 C ATOM 205 NZ LYS A 12 3.158 -5.367 12.317 1.00 0.00 N ATOM 0 H LYS A 12 5.631 -5.631 5.462 1.00 0.00 H new ATOM 0 HA LYS A 12 4.753 -7.604 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.087 -5.216 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.939 -4.725 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.129 -5.261 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.828 -6.790 8.643 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.486 -5.257 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.243 -4.039 9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.559 -5.463 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.628 -6.852 10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.601 -5.811 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.148 -5.678 12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.112 -4.333 12.415 1.00 0.00 H new ATOM 219 N TYR A 13 2.418 -6.336 5.548 1.00 0.00 N ATOM 220 CA TYR A 13 1.174 -6.680 4.819 1.00 0.00 C ATOM 221 C TYR A 13 1.607 -7.238 3.475 1.00 0.00 C ATOM 222 O TYR A 13 1.099 -8.245 3.025 1.00 0.00 O ATOM 223 CB TYR A 13 0.322 -5.422 4.628 1.00 0.00 C ATOM 224 CG TYR A 13 0.193 -4.713 5.950 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.193 -3.833 6.369 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.924 -4.942 6.759 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.081 -3.178 7.596 1.00 0.00 C ATOM 228 CE2 TYR A 13 -1.039 -4.286 7.988 1.00 0.00 C ATOM 229 CZ TYR A 13 -0.036 -3.404 8.407 1.00 0.00 C ATOM 230 OH TYR A 13 -0.144 -2.760 9.619 1.00 0.00 O ATOM 0 H TYR A 13 2.621 -5.338 5.606 1.00 0.00 H new ATOM 0 HA TYR A 13 0.573 -7.406 5.367 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.782 -4.764 3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.663 -5.689 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.055 -3.659 5.742 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.696 -5.624 6.435 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.855 -2.498 7.919 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.902 -4.460 8.614 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.058 -2.856 9.960 1.00 0.00 H new ATOM 240 N ALA A 14 2.609 -6.657 2.862 1.00 0.00 N ATOM 241 CA ALA A 14 3.098 -7.270 1.611 1.00 0.00 C ATOM 242 C ALA A 14 3.767 -8.553 2.072 1.00 0.00 C ATOM 243 O ALA A 14 4.748 -8.510 2.781 1.00 0.00 O ATOM 244 CB ALA A 14 4.129 -6.366 0.890 1.00 0.00 C ATOM 0 H ALA A 14 3.090 -5.812 3.169 1.00 0.00 H new ATOM 0 HA ALA A 14 2.290 -7.430 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.463 -6.854 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.666 -5.411 0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.984 -6.196 1.544 1.00 0.00 H new ATOM 250 N ASP A 15 3.232 -9.690 1.740 1.00 0.00 N ATOM 251 CA ASP A 15 3.850 -10.967 2.213 1.00 0.00 C ATOM 252 C ASP A 15 2.900 -12.139 1.908 1.00 0.00 C ATOM 253 O ASP A 15 2.885 -13.126 2.615 1.00 0.00 O ATOM 254 CB ASP A 15 4.043 -10.911 3.733 1.00 0.00 C ATOM 255 CG ASP A 15 5.288 -11.708 4.124 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.293 -11.572 3.445 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.216 -12.440 5.098 1.00 0.00 O ATOM 0 H ASP A 15 2.397 -9.797 1.164 1.00 0.00 H new ATOM 0 HA ASP A 15 4.807 -11.103 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.145 -9.876 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.166 -11.318 4.236 1.00 0.00 H new ATOM 262 N LYS A 16 2.084 -12.032 0.891 1.00 0.00 N ATOM 263 CA LYS A 16 1.119 -13.133 0.594 1.00 0.00 C ATOM 264 C LYS A 16 1.855 -14.395 0.136 1.00 0.00 C ATOM 265 O LYS A 16 1.384 -15.497 0.331 1.00 0.00 O ATOM 266 CB LYS A 16 0.150 -12.681 -0.500 1.00 0.00 C ATOM 267 CG LYS A 16 -1.286 -12.967 -0.053 1.00 0.00 C ATOM 268 CD LYS A 16 -1.780 -11.829 0.843 1.00 0.00 C ATOM 269 CE LYS A 16 -3.299 -11.705 0.720 1.00 0.00 C ATOM 270 NZ LYS A 16 -3.831 -10.948 1.889 1.00 0.00 N ATOM 0 H LYS A 16 2.044 -11.234 0.256 1.00 0.00 H new ATOM 0 HA LYS A 16 0.568 -13.366 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.277 -11.616 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.365 -13.205 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.935 -13.067 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.328 -13.913 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.503 -12.022 1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.304 -10.892 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.559 -11.194 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.753 -12.695 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.864 -10.863 1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.594 -11.453 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.406 -9.999 1.910 1.00 0.00 H new ATOM 284 N GLU A 17 2.999 -14.254 -0.467 1.00 0.00 N ATOM 285 CA GLU A 17 3.738 -15.465 -0.926 1.00 0.00 C ATOM 286 C GLU A 17 5.113 -15.502 -0.263 1.00 0.00 C ATOM 287 O GLU A 17 6.068 -16.009 -0.815 1.00 0.00 O ATOM 288 CB GLU A 17 3.901 -15.441 -2.451 1.00 0.00 C ATOM 289 CG GLU A 17 3.925 -13.996 -2.961 1.00 0.00 C ATOM 290 CD GLU A 17 3.685 -13.987 -4.471 1.00 0.00 C ATOM 291 OE1 GLU A 17 4.120 -14.919 -5.126 1.00 0.00 O ATOM 292 OE2 GLU A 17 3.066 -13.049 -4.946 1.00 0.00 O ATOM 0 H GLU A 17 3.454 -13.362 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 17 3.172 -16.354 -0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.823 -15.949 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.081 -15.986 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.159 -13.408 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.885 -13.533 -2.731 1.00 0.00 H new ATOM 299 N GLY A 18 5.219 -14.967 0.922 1.00 0.00 N ATOM 300 CA GLY A 18 6.532 -14.969 1.627 1.00 0.00 C ATOM 301 C GLY A 18 7.365 -13.769 1.167 1.00 0.00 C ATOM 302 O GLY A 18 8.063 -13.156 1.950 1.00 0.00 O ATOM 0 H GLY A 18 4.453 -14.528 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.377 -14.925 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.066 -15.896 1.419 1.00 0.00 H new ATOM 306 N ASP A 19 7.311 -13.440 -0.098 1.00 0.00 N ATOM 307 CA ASP A 19 8.113 -12.287 -0.615 1.00 0.00 C ATOM 308 C ASP A 19 8.073 -11.139 0.384 1.00 0.00 C ATOM 309 O ASP A 19 9.039 -10.826 1.051 1.00 0.00 O ATOM 310 CB ASP A 19 7.533 -11.763 -1.945 1.00 0.00 C ATOM 311 CG ASP A 19 8.674 -11.480 -2.925 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.771 -11.205 -2.466 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.431 -11.543 -4.119 1.00 0.00 O ATOM 0 H ASP A 19 6.745 -13.920 -0.798 1.00 0.00 H new ATOM 0 HA ASP A 19 9.133 -12.639 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.849 -12.498 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.957 -10.855 -1.770 1.00 0.00 H new ATOM 318 N GLY A 20 6.965 -10.478 0.424 1.00 0.00 N ATOM 319 CA GLY A 20 6.804 -9.287 1.291 1.00 0.00 C ATOM 320 C GLY A 20 7.371 -8.131 0.500 1.00 0.00 C ATOM 321 O GLY A 20 7.851 -7.151 1.034 1.00 0.00 O ATOM 0 H GLY A 20 6.138 -10.717 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.755 -9.118 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.334 -9.414 2.235 1.00 0.00 H new ATOM 325 N ASN A 21 7.334 -8.272 -0.802 1.00 0.00 N ATOM 326 CA ASN A 21 7.876 -7.242 -1.676 1.00 0.00 C ATOM 327 C ASN A 21 6.794 -6.755 -2.661 1.00 0.00 C ATOM 328 O ASN A 21 7.043 -5.930 -3.515 1.00 0.00 O ATOM 329 CB ASN A 21 9.052 -7.857 -2.428 1.00 0.00 C ATOM 330 CG ASN A 21 10.283 -7.850 -1.525 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.147 -7.005 -1.656 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.398 -8.767 -0.604 1.00 0.00 N ATOM 0 H ASN A 21 6.939 -9.080 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 21 8.205 -6.378 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.813 -8.877 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.251 -7.293 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.214 -8.776 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.672 -9.475 -0.496 1.00 0.00 H new ATOM 339 N GLN A 22 5.590 -7.257 -2.545 1.00 0.00 N ATOM 340 CA GLN A 22 4.488 -6.807 -3.452 1.00 0.00 C ATOM 341 C GLN A 22 3.189 -6.765 -2.642 1.00 0.00 C ATOM 342 O GLN A 22 3.031 -7.473 -1.669 1.00 0.00 O ATOM 343 CB GLN A 22 4.311 -7.739 -4.660 1.00 0.00 C ATOM 344 CG GLN A 22 5.566 -8.583 -4.922 1.00 0.00 C ATOM 345 CD GLN A 22 5.189 -10.064 -4.897 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.610 -10.825 -5.746 1.00 0.00 O ATOM 347 NE2 GLN A 22 4.405 -10.508 -3.953 1.00 0.00 N ATOM 0 H GLN A 22 5.321 -7.962 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 22 4.742 -5.822 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.460 -8.398 -4.488 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.081 -7.146 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.000 -8.322 -5.887 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.323 -8.375 -4.166 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.052 -9.869 -3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.145 -11.494 -3.927 1.00 0.00 H new ATOM 356 N LEU A 23 2.275 -5.913 -3.011 1.00 0.00 N ATOM 357 CA LEU A 23 1.011 -5.790 -2.231 1.00 0.00 C ATOM 358 C LEU A 23 -0.216 -5.915 -3.142 1.00 0.00 C ATOM 359 O LEU A 23 -0.130 -6.378 -4.255 1.00 0.00 O ATOM 360 CB LEU A 23 1.032 -4.409 -1.563 1.00 0.00 C ATOM 361 CG LEU A 23 1.566 -4.571 -0.155 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.893 -3.199 0.434 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.519 -5.270 0.714 1.00 0.00 C ATOM 0 H LEU A 23 2.348 -5.295 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 23 0.944 -6.588 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.660 -3.722 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.029 -3.982 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 23 2.473 -5.175 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.277 -3.320 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.646 -2.708 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.990 -2.589 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.905 -5.386 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.392 -4.671 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.296 -6.252 0.296 1.00 0.00 H new ATOM 375 N SER A 24 -1.358 -5.513 -2.653 1.00 0.00 N ATOM 376 CA SER A 24 -2.597 -5.569 -3.421 1.00 0.00 C ATOM 377 C SER A 24 -3.527 -4.538 -2.772 1.00 0.00 C ATOM 378 O SER A 24 -3.128 -3.832 -1.867 1.00 0.00 O ATOM 379 CB SER A 24 -3.182 -6.968 -3.315 1.00 0.00 C ATOM 380 OG SER A 24 -2.164 -7.870 -2.898 1.00 0.00 O ATOM 0 H SER A 24 -1.468 -5.135 -1.712 1.00 0.00 H new ATOM 0 HA SER A 24 -2.449 -5.352 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.007 -6.977 -2.603 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.588 -7.279 -4.277 1.00 0.00 H new ATOM 0 HG SER A 24 -2.537 -8.774 -2.827 1.00 0.00 H new ATOM 386 N LYS A 25 -4.740 -4.424 -3.205 1.00 0.00 N ATOM 387 CA LYS A 25 -5.641 -3.413 -2.577 1.00 0.00 C ATOM 388 C LYS A 25 -6.197 -3.951 -1.253 1.00 0.00 C ATOM 389 O LYS A 25 -6.645 -3.199 -0.410 1.00 0.00 O ATOM 390 CB LYS A 25 -6.795 -3.082 -3.522 1.00 0.00 C ATOM 391 CG LYS A 25 -7.057 -1.573 -3.471 1.00 0.00 C ATOM 392 CD LYS A 25 -8.339 -1.228 -4.237 1.00 0.00 C ATOM 393 CE LYS A 25 -8.303 -1.862 -5.629 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.669 -1.820 -6.225 1.00 0.00 N ATOM 0 H LYS A 25 -5.152 -4.976 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.067 -2.507 -2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.550 -3.388 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.691 -3.631 -3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.146 -1.248 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.212 -1.036 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.209 -1.587 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.441 -0.146 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.599 -1.327 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.954 -2.893 -5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.648 -2.250 -7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.329 -2.348 -5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.984 -0.832 -6.301 1.00 0.00 H new ATOM 408 N GLU A 26 -6.173 -5.241 -1.058 1.00 0.00 N ATOM 409 CA GLU A 26 -6.700 -5.811 0.214 1.00 0.00 C ATOM 410 C GLU A 26 -5.647 -5.671 1.318 1.00 0.00 C ATOM 411 O GLU A 26 -5.828 -6.147 2.421 1.00 0.00 O ATOM 412 CB GLU A 26 -7.035 -7.291 0.010 1.00 0.00 C ATOM 413 CG GLU A 26 -8.029 -7.745 1.084 1.00 0.00 C ATOM 414 CD GLU A 26 -8.708 -9.043 0.637 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.715 -9.305 -0.555 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.210 -9.751 1.494 1.00 0.00 O ATOM 0 H GLU A 26 -5.812 -5.924 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.601 -5.271 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.460 -7.445 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.126 -7.891 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.512 -7.900 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.777 -6.970 1.253 1.00 0.00 H new ATOM 423 N GLU A 27 -4.546 -5.025 1.034 1.00 0.00 N ATOM 424 CA GLU A 27 -3.494 -4.870 2.081 1.00 0.00 C ATOM 425 C GLU A 27 -2.881 -3.469 2.015 1.00 0.00 C ATOM 426 O GLU A 27 -1.844 -3.210 2.592 1.00 0.00 O ATOM 427 CB GLU A 27 -2.399 -5.918 1.871 1.00 0.00 C ATOM 428 CG GLU A 27 -2.949 -7.303 2.212 1.00 0.00 C ATOM 429 CD GLU A 27 -2.299 -7.809 3.503 1.00 0.00 C ATOM 430 OE1 GLU A 27 -1.097 -7.655 3.637 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.016 -8.343 4.332 1.00 0.00 O ATOM 0 H GLU A 27 -4.331 -4.602 0.131 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.951 -5.011 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.053 -5.896 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.538 -5.692 2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.031 -7.256 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.748 -7.997 1.395 1.00 0.00 H new ATOM 438 N LEU A 28 -3.524 -2.554 1.346 1.00 0.00 N ATOM 439 CA LEU A 28 -3.001 -1.175 1.277 1.00 0.00 C ATOM 440 C LEU A 28 -3.712 -0.410 2.388 1.00 0.00 C ATOM 441 O LEU A 28 -3.119 0.323 3.151 1.00 0.00 O ATOM 442 CB LEU A 28 -3.318 -0.619 -0.118 1.00 0.00 C ATOM 443 CG LEU A 28 -3.824 0.823 -0.043 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.682 1.749 0.375 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.351 1.252 -1.415 1.00 0.00 C ATOM 0 H LEU A 28 -4.397 -2.710 0.842 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.923 -1.101 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.424 -0.660 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.070 -1.245 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.627 0.885 0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.046 2.775 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.308 1.446 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.877 1.687 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.711 2.279 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.548 1.187 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.169 0.596 -1.712 1.00 0.00 H new ATOM 457 N LYS A 29 -4.982 -0.650 2.502 1.00 0.00 N ATOM 458 CA LYS A 29 -5.805 -0.059 3.544 1.00 0.00 C ATOM 459 C LYS A 29 -5.197 -0.383 4.907 1.00 0.00 C ATOM 460 O LYS A 29 -4.980 0.487 5.728 1.00 0.00 O ATOM 461 CB LYS A 29 -7.140 -0.741 3.419 1.00 0.00 C ATOM 462 CG LYS A 29 -8.076 -0.085 4.388 1.00 0.00 C ATOM 463 CD LYS A 29 -9.510 -0.331 3.947 1.00 0.00 C ATOM 464 CE LYS A 29 -10.444 -0.317 5.178 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.863 -0.385 4.723 1.00 0.00 N ATOM 0 H LYS A 29 -5.494 -1.268 1.873 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.883 1.024 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.520 -0.655 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.048 -1.805 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.918 -0.484 5.390 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.877 0.986 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.818 0.435 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.583 -1.290 3.434 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.218 -1.161 5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.281 0.589 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.494 -0.376 5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.073 0.434 4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.013 -1.261 4.183 1.00 0.00 H new ATOM 479 N LEU A 30 -4.919 -1.638 5.149 1.00 0.00 N ATOM 480 CA LEU A 30 -4.325 -2.032 6.456 1.00 0.00 C ATOM 481 C LEU A 30 -3.204 -1.058 6.809 1.00 0.00 C ATOM 482 O LEU A 30 -2.943 -0.794 7.959 1.00 0.00 O ATOM 483 CB LEU A 30 -3.764 -3.455 6.358 1.00 0.00 C ATOM 484 CG LEU A 30 -4.808 -4.379 5.724 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.390 -5.836 5.923 1.00 0.00 C ATOM 486 CD2 LEU A 30 -6.170 -4.150 6.386 1.00 0.00 C ATOM 0 H LEU A 30 -5.079 -2.405 4.496 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.090 -2.004 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.852 -3.456 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.496 -3.820 7.350 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.880 -4.161 4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.134 -6.493 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.422 -6.005 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.316 -6.051 6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.910 -4.809 5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.097 -4.365 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.473 -3.113 6.245 1.00 0.00 H new ATOM 498 N LEU A 31 -2.538 -0.525 5.828 1.00 0.00 N ATOM 499 CA LEU A 31 -1.436 0.441 6.119 1.00 0.00 C ATOM 500 C LEU A 31 -2.014 1.730 6.721 1.00 0.00 C ATOM 501 O LEU A 31 -1.834 2.019 7.888 1.00 0.00 O ATOM 502 CB LEU A 31 -0.711 0.788 4.818 1.00 0.00 C ATOM 503 CG LEU A 31 0.305 1.904 5.074 1.00 0.00 C ATOM 504 CD1 LEU A 31 1.578 1.310 5.678 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.642 2.595 3.751 1.00 0.00 C ATOM 0 H LEU A 31 -2.704 -0.712 4.839 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.743 -0.014 6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.205 -0.094 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.431 1.105 4.063 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.119 2.630 5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.300 2.106 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.338 0.816 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.005 0.584 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.365 3.390 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.066 1.868 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.265 3.020 3.321 1.00 0.00 H new ATOM 517 N LEU A 32 -2.686 2.512 5.919 1.00 0.00 N ATOM 518 CA LEU A 32 -3.266 3.792 6.395 1.00 0.00 C ATOM 519 C LEU A 32 -3.828 3.653 7.806 1.00 0.00 C ATOM 520 O LEU A 32 -3.738 4.554 8.603 1.00 0.00 O ATOM 521 CB LEU A 32 -4.362 4.198 5.432 1.00 0.00 C ATOM 522 CG LEU A 32 -3.873 4.060 3.984 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.350 4.223 3.882 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.290 2.702 3.435 1.00 0.00 C ATOM 0 H LEU A 32 -2.858 2.309 4.934 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.487 4.554 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.242 3.574 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.663 5.228 5.625 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.330 4.855 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.042 4.119 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.064 5.209 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.861 3.457 4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.943 2.603 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.850 1.913 4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.376 2.617 3.461 1.00 0.00 H new ATOM 536 N GLN A 33 -4.422 2.541 8.101 1.00 0.00 N ATOM 537 CA GLN A 33 -5.004 2.329 9.485 1.00 0.00 C ATOM 538 C GLN A 33 -3.918 1.920 10.476 1.00 0.00 C ATOM 539 O GLN A 33 -3.624 2.650 11.399 1.00 0.00 O ATOM 540 CB GLN A 33 -6.078 1.235 9.438 1.00 0.00 C ATOM 541 CG GLN A 33 -7.202 1.645 8.482 1.00 0.00 C ATOM 542 CD GLN A 33 -8.345 0.634 8.573 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.356 0.895 9.194 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.227 -0.520 7.974 1.00 0.00 N ATOM 0 H GLN A 33 -4.540 1.758 7.458 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.446 3.270 9.814 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.636 0.294 9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.482 1.067 10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.563 2.642 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.825 1.693 7.460 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.378 -0.739 7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.984 -1.202 8.027 1.00 0.00 H new ATOM 553 N THR A 34 -3.343 0.762 10.315 1.00 0.00 N ATOM 554 CA THR A 34 -2.289 0.306 11.274 1.00 0.00 C ATOM 555 C THR A 34 -1.428 1.493 11.703 1.00 0.00 C ATOM 556 O THR A 34 -0.912 1.536 12.802 1.00 0.00 O ATOM 557 CB THR A 34 -1.405 -0.751 10.616 1.00 0.00 C ATOM 558 OG1 THR A 34 -2.192 -1.895 10.313 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.282 -1.134 11.580 1.00 0.00 C ATOM 0 H THR A 34 -3.555 0.108 9.561 1.00 0.00 H new ATOM 0 HA THR A 34 -2.774 -0.125 12.150 1.00 0.00 H new ATOM 0 HB THR A 34 -0.973 -0.357 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.625 -1.773 9.442 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.354 -1.889 11.117 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.314 -0.252 11.814 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.712 -1.535 12.498 1.00 0.00 H new ATOM 567 N GLU A 35 -1.281 2.464 10.849 1.00 0.00 N ATOM 568 CA GLU A 35 -0.473 3.655 11.210 1.00 0.00 C ATOM 569 C GLU A 35 -1.413 4.800 11.592 1.00 0.00 C ATOM 570 O GLU A 35 -1.144 5.555 12.503 1.00 0.00 O ATOM 571 CB GLU A 35 0.375 4.071 10.012 1.00 0.00 C ATOM 572 CG GLU A 35 1.416 2.990 9.721 1.00 0.00 C ATOM 573 CD GLU A 35 2.817 3.597 9.811 1.00 0.00 C ATOM 574 OE1 GLU A 35 3.077 4.546 9.091 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.606 3.101 10.599 1.00 0.00 O ATOM 0 H GLU A 35 -1.688 2.483 9.914 1.00 0.00 H new ATOM 0 HA GLU A 35 0.179 3.419 12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.260 4.223 9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.869 5.021 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.316 2.172 10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.253 2.570 8.729 1.00 0.00 H new ATOM 582 N PHE A 36 -2.511 4.942 10.896 1.00 0.00 N ATOM 583 CA PHE A 36 -3.453 6.033 11.210 1.00 0.00 C ATOM 584 C PHE A 36 -4.851 5.669 10.709 1.00 0.00 C ATOM 585 O PHE A 36 -5.182 6.069 9.618 1.00 0.00 O ATOM 586 CB PHE A 36 -3.014 7.321 10.494 1.00 0.00 C ATOM 587 CG PHE A 36 -1.569 7.232 10.049 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.237 6.486 8.910 1.00 0.00 C ATOM 589 CD2 PHE A 36 -0.568 7.902 10.761 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.095 6.407 8.487 1.00 0.00 C ATOM 591 CE2 PHE A 36 0.765 7.824 10.336 1.00 0.00 C ATOM 592 CZ PHE A 36 1.096 7.078 9.199 1.00 0.00 C ATOM 0 H PHE A 36 -2.789 4.340 10.121 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.463 6.183 12.290 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.654 7.496 9.629 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.140 8.173 11.162 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.010 5.972 8.358 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.823 8.479 11.638 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.350 5.828 7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.538 8.340 10.886 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.123 7.020 8.871 1.00 0.00 H new ATOM 602 N PRO A 37 -5.640 4.973 11.546 1.00 0.00 N ATOM 603 CA PRO A 37 -7.022 4.579 11.271 1.00 0.00 C ATOM 604 C PRO A 37 -7.516 5.369 10.119 1.00 0.00 C ATOM 605 O PRO A 37 -8.260 6.327 10.190 1.00 0.00 O ATOM 606 CB PRO A 37 -7.703 4.818 12.598 1.00 0.00 C ATOM 607 CG PRO A 37 -6.574 4.588 13.633 1.00 0.00 C ATOM 608 CD PRO A 37 -5.243 4.558 12.851 1.00 0.00 C ATOM 0 HA PRO A 37 -7.194 3.548 10.961 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.108 5.828 12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.534 4.130 12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.566 5.384 14.378 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.727 3.651 14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.504 5.232 13.283 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.800 3.562 12.843 1.00 0.00 H new ATOM 616 N SER A 38 -6.943 4.958 9.069 1.00 0.00 N ATOM 617 CA SER A 38 -7.106 5.586 7.753 1.00 0.00 C ATOM 618 C SER A 38 -8.459 6.228 7.643 1.00 0.00 C ATOM 619 O SER A 38 -9.493 5.647 7.903 1.00 0.00 O ATOM 620 CB SER A 38 -6.972 4.522 6.675 1.00 0.00 C ATOM 621 OG SER A 38 -8.261 4.026 6.340 1.00 0.00 O ATOM 0 H SER A 38 -6.319 4.151 9.059 1.00 0.00 H new ATOM 0 HA SER A 38 -6.339 6.351 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.491 4.942 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.337 3.709 7.028 1.00 0.00 H new ATOM 0 HG SER A 38 -8.170 3.256 5.741 1.00 0.00 H new ATOM 627 N LEU A 39 -8.420 7.454 7.257 1.00 0.00 N ATOM 628 CA LEU A 39 -9.643 8.239 7.099 1.00 0.00 C ATOM 629 C LEU A 39 -10.266 7.877 5.747 1.00 0.00 C ATOM 630 O LEU A 39 -11.226 8.480 5.309 1.00 0.00 O ATOM 631 CB LEU A 39 -9.267 9.725 7.185 1.00 0.00 C ATOM 632 CG LEU A 39 -8.181 9.960 8.274 1.00 0.00 C ATOM 633 CD1 LEU A 39 -8.263 8.903 9.393 1.00 0.00 C ATOM 634 CD2 LEU A 39 -6.781 9.896 7.647 1.00 0.00 C ATOM 0 H LEU A 39 -7.561 7.958 7.038 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.375 8.028 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.898 10.068 6.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.153 10.316 7.416 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.361 10.946 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.490 9.099 10.136 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.243 8.951 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.115 7.910 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.029 10.062 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.629 8.915 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.690 10.665 6.880 1.00 0.00 H new ATOM 646 N LEU A 40 -9.730 6.865 5.095 1.00 0.00 N ATOM 647 CA LEU A 40 -10.287 6.424 3.793 1.00 0.00 C ATOM 648 C LEU A 40 -11.742 6.015 4.019 1.00 0.00 C ATOM 649 O LEU A 40 -12.524 5.922 3.094 1.00 0.00 O ATOM 650 CB LEU A 40 -9.499 5.209 3.263 1.00 0.00 C ATOM 651 CG LEU A 40 -7.982 5.331 3.545 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.206 4.637 2.422 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.560 6.807 3.599 1.00 0.00 C ATOM 0 H LEU A 40 -8.925 6.330 5.421 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.217 7.233 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.881 4.299 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.661 5.113 2.189 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.765 4.863 4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.136 4.719 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.488 3.585 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.441 5.112 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.490 6.873 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.781 7.284 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.109 7.313 4.393 1.00 0.00 H new ATOM 767 N GLU A 48 -8.641 5.634 -5.687 1.00 0.00 N ATOM 768 CA GLU A 48 -7.924 6.484 -6.667 1.00 0.00 C ATOM 769 C GLU A 48 -6.438 6.387 -6.371 1.00 0.00 C ATOM 770 O GLU A 48 -5.605 6.875 -7.110 1.00 0.00 O ATOM 771 CB GLU A 48 -8.380 7.933 -6.556 1.00 0.00 C ATOM 772 CG GLU A 48 -8.865 8.393 -7.927 1.00 0.00 C ATOM 773 CD GLU A 48 -9.554 9.752 -7.795 1.00 0.00 C ATOM 774 OE1 GLU A 48 -9.400 10.373 -6.757 1.00 0.00 O ATOM 775 OE2 GLU A 48 -10.226 10.147 -8.733 1.00 0.00 O ATOM 0 HA GLU A 48 -8.137 6.142 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.180 8.023 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.559 8.563 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.024 8.465 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.557 7.661 -8.344 1.00 0.00 H new ATOM 782 N LEU A 49 -6.105 5.717 -5.310 1.00 0.00 N ATOM 783 CA LEU A 49 -4.683 5.525 -4.964 1.00 0.00 C ATOM 784 C LEU A 49 -4.204 4.334 -5.776 1.00 0.00 C ATOM 785 O LEU A 49 -3.032 4.157 -6.043 1.00 0.00 O ATOM 786 CB LEU A 49 -4.572 5.220 -3.473 1.00 0.00 C ATOM 787 CG LEU A 49 -3.161 5.572 -2.986 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.031 7.089 -2.827 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.894 4.896 -1.639 1.00 0.00 C ATOM 0 H LEU A 49 -6.768 5.291 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.086 6.411 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.314 5.793 -2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.780 4.166 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.435 5.220 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.027 7.334 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.212 7.572 -3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.762 7.443 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.890 5.149 -1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.624 5.242 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.977 3.815 -1.752 1.00 0.00 H new ATOM 801 N PHE A 50 -5.143 3.523 -6.173 1.00 0.00 N ATOM 802 CA PHE A 50 -4.842 2.316 -6.982 1.00 0.00 C ATOM 803 C PHE A 50 -4.533 2.729 -8.426 1.00 0.00 C ATOM 804 O PHE A 50 -3.614 2.231 -9.044 1.00 0.00 O ATOM 805 CB PHE A 50 -6.080 1.420 -6.950 1.00 0.00 C ATOM 806 CG PHE A 50 -5.960 0.311 -7.968 1.00 0.00 C ATOM 807 CD1 PHE A 50 -6.172 0.581 -9.325 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.654 -0.991 -7.553 1.00 0.00 C ATOM 809 CE1 PHE A 50 -6.077 -0.449 -10.267 1.00 0.00 C ATOM 810 CE2 PHE A 50 -5.556 -2.021 -8.497 1.00 0.00 C ATOM 811 CZ PHE A 50 -5.769 -1.750 -9.853 1.00 0.00 C ATOM 0 H PHE A 50 -6.133 3.653 -5.963 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.977 1.787 -6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.202 0.995 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.971 2.014 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.409 1.585 -9.645 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.494 -1.201 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.241 -0.240 -11.314 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.316 -3.025 -8.178 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.696 -2.545 -10.580 1.00 0.00 H new ATOM 821 N GLU A 51 -5.300 3.637 -8.966 1.00 0.00 N ATOM 822 CA GLU A 51 -5.062 4.083 -10.369 1.00 0.00 C ATOM 823 C GLU A 51 -3.919 5.102 -10.406 1.00 0.00 C ATOM 824 O GLU A 51 -3.118 5.116 -11.321 1.00 0.00 O ATOM 825 CB GLU A 51 -6.336 4.730 -10.915 1.00 0.00 C ATOM 826 CG GLU A 51 -6.021 5.457 -12.225 1.00 0.00 C ATOM 827 CD GLU A 51 -7.326 5.822 -12.935 1.00 0.00 C ATOM 828 OE1 GLU A 51 -8.377 5.551 -12.376 1.00 0.00 O ATOM 829 OE2 GLU A 51 -7.253 6.366 -14.024 1.00 0.00 O ATOM 0 H GLU A 51 -6.083 4.090 -8.495 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.793 3.221 -10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.099 3.970 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.741 5.432 -10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.441 6.357 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.411 4.822 -12.867 1.00 0.00 H new ATOM 836 N GLU A 52 -3.839 5.960 -9.426 1.00 0.00 N ATOM 837 CA GLU A 52 -2.751 6.979 -9.418 1.00 0.00 C ATOM 838 C GLU A 52 -1.390 6.280 -9.433 1.00 0.00 C ATOM 839 O GLU A 52 -0.384 6.866 -9.783 1.00 0.00 O ATOM 840 CB GLU A 52 -2.870 7.854 -8.164 1.00 0.00 C ATOM 841 CG GLU A 52 -2.341 7.099 -6.941 1.00 0.00 C ATOM 842 CD GLU A 52 -0.832 7.321 -6.819 1.00 0.00 C ATOM 843 OE1 GLU A 52 -0.347 8.285 -7.389 1.00 0.00 O ATOM 844 OE2 GLU A 52 -0.187 6.525 -6.158 1.00 0.00 O ATOM 0 H GLU A 52 -4.478 6.000 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.842 7.608 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.308 8.778 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.911 8.135 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.845 7.447 -6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.556 6.035 -7.036 1.00 0.00 H new ATOM 851 N LEU A 53 -1.347 5.032 -9.054 1.00 0.00 N ATOM 852 CA LEU A 53 -0.047 4.307 -9.049 1.00 0.00 C ATOM 853 C LEU A 53 0.268 3.802 -10.459 1.00 0.00 C ATOM 854 O LEU A 53 -0.365 4.182 -11.423 1.00 0.00 O ATOM 855 CB LEU A 53 -0.125 3.114 -8.096 1.00 0.00 C ATOM 856 CG LEU A 53 -0.369 3.601 -6.668 1.00 0.00 C ATOM 857 CD1 LEU A 53 -1.081 2.503 -5.872 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.970 3.919 -6.001 1.00 0.00 C ATOM 0 H LEU A 53 -2.153 4.486 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 53 0.738 4.988 -8.720 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.929 2.445 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.801 2.541 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.987 4.498 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.256 2.848 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.035 2.271 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.459 1.608 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.796 4.266 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.587 3.021 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.483 4.697 -6.567 1.00 0.00 H new ATOM 870 N ASP A 54 1.246 2.946 -10.583 1.00 0.00 N ATOM 871 CA ASP A 54 1.610 2.412 -11.925 1.00 0.00 C ATOM 872 C ASP A 54 0.567 1.385 -12.373 1.00 0.00 C ATOM 873 O ASP A 54 -0.445 1.192 -11.727 1.00 0.00 O ATOM 874 CB ASP A 54 2.984 1.744 -11.844 1.00 0.00 C ATOM 875 CG ASP A 54 3.783 2.061 -13.110 1.00 0.00 C ATOM 876 OD1 ASP A 54 3.165 2.312 -14.131 1.00 0.00 O ATOM 877 OD2 ASP A 54 5.001 2.048 -13.036 1.00 0.00 O ATOM 0 H ASP A 54 1.810 2.593 -9.810 1.00 0.00 H new ATOM 0 HA ASP A 54 1.640 3.229 -12.646 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.521 2.099 -10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.870 0.666 -11.734 1.00 0.00 H new ATOM 882 N LYS A 55 0.805 0.723 -13.477 1.00 0.00 N ATOM 883 CA LYS A 55 -0.172 -0.291 -13.963 1.00 0.00 C ATOM 884 C LYS A 55 -0.602 -1.181 -12.796 1.00 0.00 C ATOM 885 O LYS A 55 -0.067 -1.096 -11.709 1.00 0.00 O ATOM 886 CB LYS A 55 0.474 -1.150 -15.053 1.00 0.00 C ATOM 887 CG LYS A 55 1.556 -2.041 -14.437 1.00 0.00 C ATOM 888 CD LYS A 55 1.961 -3.124 -15.446 1.00 0.00 C ATOM 889 CE LYS A 55 0.805 -4.140 -15.621 1.00 0.00 C ATOM 890 NZ LYS A 55 1.374 -5.493 -15.880 1.00 0.00 N ATOM 0 H LYS A 55 1.633 0.842 -14.060 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.044 0.215 -14.376 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.283 -1.765 -15.540 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.910 -0.512 -15.822 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.424 -1.441 -14.163 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.185 -2.502 -13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.204 -2.667 -16.405 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.859 -3.637 -15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.184 -4.159 -14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.163 -3.839 -16.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.601 -6.178 -15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.949 -5.468 -16.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.970 -5.779 -15.077 1.00 0.00 H new ATOM 904 N ASN A 56 -1.560 -2.036 -13.012 1.00 0.00 N ATOM 905 CA ASN A 56 -2.019 -2.927 -11.927 1.00 0.00 C ATOM 906 C ASN A 56 -2.803 -4.074 -12.547 1.00 0.00 C ATOM 907 O ASN A 56 -3.720 -4.606 -11.958 1.00 0.00 O ATOM 908 CB ASN A 56 -2.902 -2.152 -10.953 1.00 0.00 C ATOM 909 CG ASN A 56 -2.545 -2.559 -9.524 1.00 0.00 C ATOM 910 OD1 ASN A 56 -2.701 -1.786 -8.599 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.062 -3.750 -9.308 1.00 0.00 N ATOM 0 H ASN A 56 -2.045 -2.152 -13.902 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.163 -3.317 -11.376 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.758 -1.080 -11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.953 -2.359 -11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.814 -4.036 -8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.932 -4.397 -10.086 1.00 0.00 H new ATOM 918 N GLY A 57 -2.438 -4.468 -13.737 1.00 0.00 N ATOM 919 CA GLY A 57 -3.148 -5.597 -14.390 1.00 0.00 C ATOM 920 C GLY A 57 -2.734 -6.889 -13.695 1.00 0.00 C ATOM 921 O GLY A 57 -3.222 -7.961 -13.997 1.00 0.00 O ATOM 0 H GLY A 57 -1.680 -4.056 -14.282 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.227 -5.458 -14.321 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.899 -5.640 -15.450 1.00 0.00 H new ATOM 925 N ASP A 58 -1.851 -6.786 -12.738 1.00 0.00 N ATOM 926 CA ASP A 58 -1.418 -7.989 -11.987 1.00 0.00 C ATOM 927 C ASP A 58 -2.158 -7.997 -10.656 1.00 0.00 C ATOM 928 O ASP A 58 -2.133 -8.962 -9.919 1.00 0.00 O ATOM 929 CB ASP A 58 0.090 -7.952 -11.733 1.00 0.00 C ATOM 930 CG ASP A 58 0.830 -8.495 -12.955 1.00 0.00 C ATOM 931 OD1 ASP A 58 0.194 -9.147 -13.765 1.00 0.00 O ATOM 932 OD2 ASP A 58 2.021 -8.250 -13.059 1.00 0.00 O ATOM 0 H ASP A 58 -1.411 -5.913 -12.446 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.643 -8.886 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.409 -6.930 -11.527 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.335 -8.547 -10.853 1.00 0.00 H new ATOM 937 N GLY A 59 -2.829 -6.919 -10.353 1.00 0.00 N ATOM 938 CA GLY A 59 -3.586 -6.851 -9.081 1.00 0.00 C ATOM 939 C GLY A 59 -2.611 -6.766 -7.905 1.00 0.00 C ATOM 940 O GLY A 59 -2.911 -7.198 -6.809 1.00 0.00 O ATOM 0 H GLY A 59 -2.883 -6.084 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.244 -5.982 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.221 -7.731 -8.977 1.00 0.00 H new ATOM 944 N GLU A 60 -1.442 -6.222 -8.119 1.00 0.00 N ATOM 945 CA GLU A 60 -0.459 -6.132 -7.006 1.00 0.00 C ATOM 946 C GLU A 60 0.321 -4.812 -7.097 1.00 0.00 C ATOM 947 O GLU A 60 0.473 -4.234 -8.156 1.00 0.00 O ATOM 948 CB GLU A 60 0.503 -7.324 -7.114 1.00 0.00 C ATOM 949 CG GLU A 60 1.808 -7.044 -6.366 1.00 0.00 C ATOM 950 CD GLU A 60 2.833 -6.458 -7.341 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.799 -5.258 -7.556 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.636 -7.220 -7.853 1.00 0.00 O ATOM 0 H GLU A 60 -1.129 -5.839 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.976 -6.157 -6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.029 -8.216 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.717 -7.529 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.629 -6.348 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.193 -7.964 -5.925 1.00 0.00 H new ATOM 959 N VAL A 61 0.827 -4.347 -5.986 1.00 0.00 N ATOM 960 CA VAL A 61 1.612 -3.083 -5.968 1.00 0.00 C ATOM 961 C VAL A 61 3.044 -3.415 -5.549 1.00 0.00 C ATOM 962 O VAL A 61 3.326 -3.660 -4.396 1.00 0.00 O ATOM 963 CB VAL A 61 0.976 -2.100 -4.967 1.00 0.00 C ATOM 964 CG1 VAL A 61 2.052 -1.249 -4.278 1.00 0.00 C ATOM 965 CG2 VAL A 61 0.025 -1.174 -5.719 1.00 0.00 C ATOM 0 H VAL A 61 0.727 -4.799 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 61 1.616 -2.619 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 61 0.440 -2.671 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.579 -0.563 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.742 -1.900 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.601 -0.679 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.431 -0.474 -5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.580 -0.620 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.754 -1.765 -6.200 1.00 0.00 H new ATOM 975 N SER A 62 3.950 -3.413 -6.470 1.00 0.00 N ATOM 976 CA SER A 62 5.354 -3.728 -6.120 1.00 0.00 C ATOM 977 C SER A 62 5.965 -2.508 -5.430 1.00 0.00 C ATOM 978 O SER A 62 5.366 -1.453 -5.365 1.00 0.00 O ATOM 979 CB SER A 62 6.130 -4.060 -7.401 1.00 0.00 C ATOM 980 OG SER A 62 6.201 -2.897 -8.225 1.00 0.00 O ATOM 0 H SER A 62 3.782 -3.207 -7.455 1.00 0.00 H new ATOM 0 HA SER A 62 5.400 -4.586 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.134 -4.405 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.638 -4.871 -7.938 1.00 0.00 H new ATOM 0 HG SER A 62 6.698 -3.106 -9.043 1.00 0.00 H new ATOM 986 N PHE A 63 7.142 -2.647 -4.903 1.00 0.00 N ATOM 987 CA PHE A 63 7.793 -1.506 -4.199 1.00 0.00 C ATOM 988 C PHE A 63 8.205 -0.446 -5.228 1.00 0.00 C ATOM 989 O PHE A 63 8.678 0.616 -4.883 1.00 0.00 O ATOM 990 CB PHE A 63 9.027 -2.029 -3.457 1.00 0.00 C ATOM 991 CG PHE A 63 9.335 -1.189 -2.228 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.367 -0.997 -1.229 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.602 -0.613 -2.083 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.669 -0.232 -0.095 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.903 0.154 -0.947 1.00 0.00 C ATOM 996 CZ PHE A 63 9.936 0.343 0.046 1.00 0.00 C ATOM 0 H PHE A 63 7.689 -3.507 -4.927 1.00 0.00 H new ATOM 0 HA PHE A 63 7.103 -1.056 -3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.862 -3.065 -3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.886 -2.023 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.388 -1.440 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.351 -0.759 -2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.922 -0.086 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.881 0.598 -0.839 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.168 0.932 0.921 1.00 0.00 H new ATOM 1006 N GLU A 64 8.021 -0.723 -6.492 1.00 0.00 N ATOM 1007 CA GLU A 64 8.393 0.273 -7.540 1.00 0.00 C ATOM 1008 C GLU A 64 7.314 1.358 -7.603 1.00 0.00 C ATOM 1009 O GLU A 64 7.602 2.526 -7.777 1.00 0.00 O ATOM 1010 CB GLU A 64 8.498 -0.423 -8.900 1.00 0.00 C ATOM 1011 CG GLU A 64 9.461 0.350 -9.801 1.00 0.00 C ATOM 1012 CD GLU A 64 8.784 1.634 -10.284 1.00 0.00 C ATOM 1013 OE1 GLU A 64 7.566 1.648 -10.354 1.00 0.00 O ATOM 1014 OE2 GLU A 64 9.495 2.580 -10.575 1.00 0.00 O ATOM 0 H GLU A 64 7.629 -1.596 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 64 9.355 0.722 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.849 -1.447 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.515 -0.481 -9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.374 0.590 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.751 -0.264 -10.653 1.00 0.00 H new ATOM 1021 N GLU A 65 6.073 0.980 -7.442 1.00 0.00 N ATOM 1022 CA GLU A 65 4.973 1.987 -7.468 1.00 0.00 C ATOM 1023 C GLU A 65 4.629 2.354 -6.023 1.00 0.00 C ATOM 1024 O GLU A 65 4.055 3.388 -5.743 1.00 0.00 O ATOM 1025 CB GLU A 65 3.747 1.395 -8.163 1.00 0.00 C ATOM 1026 CG GLU A 65 3.185 0.254 -7.319 1.00 0.00 C ATOM 1027 CD GLU A 65 1.875 0.704 -6.673 1.00 0.00 C ATOM 1028 OE1 GLU A 65 0.861 0.664 -7.347 1.00 0.00 O ATOM 1029 OE2 GLU A 65 1.909 1.082 -5.513 1.00 0.00 O ATOM 0 H GLU A 65 5.774 0.016 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 65 5.286 2.876 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.988 2.165 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.018 1.030 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.014 -0.625 -7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.903 -0.034 -6.551 1.00 0.00 H new ATOM 1036 N PHE A 66 5.010 1.505 -5.106 1.00 0.00 N ATOM 1037 CA PHE A 66 4.765 1.750 -3.653 1.00 0.00 C ATOM 1038 C PHE A 66 5.650 2.917 -3.160 1.00 0.00 C ATOM 1039 O PHE A 66 5.685 3.228 -1.986 1.00 0.00 O ATOM 1040 CB PHE A 66 5.153 0.466 -2.906 1.00 0.00 C ATOM 1041 CG PHE A 66 4.553 0.443 -1.521 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.195 0.148 -1.358 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.347 0.722 -0.399 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.625 0.139 -0.082 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.777 0.706 0.877 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.418 0.420 1.035 1.00 0.00 C ATOM 0 H PHE A 66 5.493 0.630 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 66 3.721 2.009 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.812 -0.403 -3.468 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.239 0.395 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.585 -0.074 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.396 0.949 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.576 -0.084 0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.388 0.915 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.979 0.416 2.022 1.00 0.00 H new ATOM 1056 N GLN A 67 6.368 3.553 -4.052 1.00 0.00 N ATOM 1057 CA GLN A 67 7.263 4.693 -3.655 1.00 0.00 C ATOM 1058 C GLN A 67 6.462 5.980 -3.552 1.00 0.00 C ATOM 1059 O GLN A 67 6.710 6.822 -2.716 1.00 0.00 O ATOM 1060 CB GLN A 67 8.370 4.885 -4.692 1.00 0.00 C ATOM 1061 CG GLN A 67 9.109 3.569 -4.912 1.00 0.00 C ATOM 1062 CD GLN A 67 10.130 3.349 -3.782 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.984 4.185 -3.564 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.090 2.260 -3.044 1.00 0.00 N ATOM 0 H GLN A 67 6.375 3.332 -5.048 1.00 0.00 H new ATOM 0 HA GLN A 67 7.704 4.456 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.943 5.234 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.067 5.652 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.399 2.743 -4.939 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.617 3.584 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.377 1.552 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.772 2.124 -2.298 1.00 0.00 H new ATOM 1073 N VAL A 68 5.518 6.146 -4.415 1.00 0.00 N ATOM 1074 CA VAL A 68 4.694 7.388 -4.379 1.00 0.00 C ATOM 1075 C VAL A 68 4.105 7.549 -2.976 1.00 0.00 C ATOM 1076 O VAL A 68 3.728 8.626 -2.560 1.00 0.00 O ATOM 1077 CB VAL A 68 3.569 7.285 -5.404 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.109 8.689 -5.783 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.088 6.562 -6.650 1.00 0.00 C ATOM 0 H VAL A 68 5.273 5.481 -5.148 1.00 0.00 H new ATOM 0 HA VAL A 68 5.313 8.252 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 68 2.732 6.728 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.305 8.623 -6.516 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.748 9.206 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.945 9.243 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.288 6.486 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.920 7.123 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.426 5.562 -6.376 1.00 0.00 H new ATOM 1089 N LEU A 69 4.039 6.472 -2.247 1.00 0.00 N ATOM 1090 CA LEU A 69 3.495 6.509 -0.858 1.00 0.00 C ATOM 1091 C LEU A 69 4.634 6.803 0.102 1.00 0.00 C ATOM 1092 O LEU A 69 4.434 7.333 1.169 1.00 0.00 O ATOM 1093 CB LEU A 69 2.957 5.114 -0.523 1.00 0.00 C ATOM 1094 CG LEU A 69 1.503 5.134 0.002 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.517 5.011 1.522 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.773 6.426 -0.384 1.00 0.00 C ATOM 0 H LEU A 69 4.344 5.550 -2.559 1.00 0.00 H new ATOM 0 HA LEU A 69 2.715 7.266 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.006 4.489 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.601 4.653 0.226 1.00 0.00 H new ATOM 0 HG LEU A 69 0.973 4.296 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.494 5.025 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.996 4.074 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.072 5.846 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.245 6.399 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.300 7.282 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.745 6.517 -1.470 1.00 0.00 H new ATOM 1108 N VAL A 70 5.820 6.421 -0.259 1.00 0.00 N ATOM 1109 CA VAL A 70 6.980 6.647 0.637 1.00 0.00 C ATOM 1110 C VAL A 70 7.005 8.120 1.052 1.00 0.00 C ATOM 1111 O VAL A 70 7.217 8.447 2.200 1.00 0.00 O ATOM 1112 CB VAL A 70 8.280 6.250 -0.090 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.825 7.432 -0.900 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.328 5.813 0.934 1.00 0.00 C ATOM 0 H VAL A 70 6.038 5.959 -1.142 1.00 0.00 H new ATOM 0 HA VAL A 70 6.894 6.032 1.533 1.00 0.00 H new ATOM 0 HB VAL A 70 8.061 5.426 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.743 7.134 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.085 7.738 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.035 8.266 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.246 5.533 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.533 6.636 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.953 4.958 1.497 1.00 0.00 H new ATOM 1124 N LYS A 71 6.749 9.016 0.137 1.00 0.00 N ATOM 1125 CA LYS A 71 6.727 10.463 0.500 1.00 0.00 C ATOM 1126 C LYS A 71 5.362 10.804 1.109 1.00 0.00 C ATOM 1127 O LYS A 71 4.873 11.909 0.982 1.00 0.00 O ATOM 1128 CB LYS A 71 6.954 11.310 -0.755 1.00 0.00 C ATOM 1129 CG LYS A 71 5.813 11.072 -1.750 1.00 0.00 C ATOM 1130 CD LYS A 71 5.048 12.379 -1.976 1.00 0.00 C ATOM 1131 CE LYS A 71 4.795 12.571 -3.474 1.00 0.00 C ATOM 1132 NZ LYS A 71 5.817 13.499 -4.037 1.00 0.00 N ATOM 0 H LYS A 71 6.555 8.810 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 71 7.516 10.674 1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.004 12.366 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.909 11.051 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.212 10.704 -2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.139 10.305 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.101 12.356 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.619 13.220 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.839 11.610 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.795 12.973 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.645 13.629 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.754 14.418 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.766 13.098 -3.895 1.00 0.00 H new ATOM 1146 N LYS A 72 4.748 9.860 1.771 1.00 0.00 N ATOM 1147 CA LYS A 72 3.422 10.105 2.389 1.00 0.00 C ATOM 1148 C LYS A 72 3.490 9.766 3.885 1.00 0.00 C ATOM 1149 O LYS A 72 2.499 9.818 4.585 1.00 0.00 O ATOM 1150 CB LYS A 72 2.370 9.216 1.719 1.00 0.00 C ATOM 1151 CG LYS A 72 2.266 9.580 0.237 1.00 0.00 C ATOM 1152 CD LYS A 72 2.064 11.090 0.097 1.00 0.00 C ATOM 1153 CE LYS A 72 1.323 11.389 -1.207 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.267 12.409 -0.953 1.00 0.00 N ATOM 0 H LYS A 72 5.117 8.919 1.909 1.00 0.00 H new ATOM 0 HA LYS A 72 3.150 11.152 2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.642 8.166 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.404 9.347 2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.170 9.273 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.434 9.047 -0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.496 11.471 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.028 11.598 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.022 11.753 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.876 10.477 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.238 12.614 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.405 12.045 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.706 13.281 -0.595 1.00 0.00 H new ATOM 1168 N ILE A 73 4.649 9.397 4.376 1.00 0.00 N ATOM 1169 CA ILE A 73 4.769 9.029 5.818 1.00 0.00 C ATOM 1170 C ILE A 73 5.466 10.090 6.604 1.00 0.00 C ATOM 1171 O ILE A 73 5.094 10.415 7.714 1.00 0.00 O ATOM 1172 CB ILE A 73 5.703 7.843 5.992 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.708 6.984 4.753 1.00 0.00 C ATOM 1174 CG2 ILE A 73 5.303 7.059 7.223 1.00 0.00 C ATOM 1175 CD1 ILE A 73 4.312 6.414 4.505 1.00 0.00 C ATOM 0 H ILE A 73 5.514 9.336 3.840 1.00 0.00 H new ATOM 0 HA ILE A 73 3.747 8.849 6.150 1.00 0.00 H new ATOM 0 HB ILE A 73 6.723 8.201 6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.027 7.574 3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.426 6.172 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.974 6.209 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.367 7.702 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.280 6.701 7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.326 5.795 3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.009 5.808 5.359 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.604 7.232 4.371 1.00 0.00 H new ATOM 1187 N SER A 74 6.573 10.506 6.090 1.00 0.00 N ATOM 1188 CA SER A 74 7.421 11.408 6.852 1.00 0.00 C ATOM 1189 C SER A 74 6.592 12.432 7.636 1.00 0.00 C ATOM 1190 O SER A 74 6.973 12.859 8.707 1.00 0.00 O ATOM 1191 CB SER A 74 8.401 12.127 5.928 1.00 0.00 C ATOM 1192 OG SER A 74 7.919 13.436 5.658 1.00 0.00 O ATOM 0 H SER A 74 6.922 10.252 5.166 1.00 0.00 H new ATOM 0 HA SER A 74 7.980 10.807 7.569 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.386 12.178 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.516 11.571 4.998 1.00 0.00 H new ATOM 0 HG SER A 74 8.547 13.900 5.066 1.00 0.00 H new ATOM 1198 N GLN A 75 5.467 12.831 7.112 1.00 0.00 N ATOM 1199 CA GLN A 75 4.630 13.829 7.833 1.00 0.00 C ATOM 1200 C GLN A 75 5.441 15.109 8.048 1.00 0.00 C ATOM 1201 O GLN A 75 5.443 15.607 9.162 1.00 0.00 O ATOM 1202 CB GLN A 75 4.203 13.254 9.187 1.00 0.00 C ATOM 1203 CG GLN A 75 2.676 13.273 9.289 1.00 0.00 C ATOM 1204 CD GLN A 75 2.264 13.837 10.650 1.00 0.00 C ATOM 1205 OE1 GLN A 75 2.853 13.506 11.660 1.00 0.00 O ATOM 1206 NE2 GLN A 75 1.270 14.679 10.722 1.00 0.00 N ATOM 1207 OXT GLN A 75 6.045 15.569 7.093 1.00 0.00 O ATOM 0 H GLN A 75 5.092 12.511 6.219 1.00 0.00 H new ATOM 0 HA GLN A 75 3.742 14.058 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.573 12.234 9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.640 13.838 9.997 1.00 0.00 H new ATOM 0 HG2 GLN A 75 2.255 13.881 8.489 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.280 12.265 9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.775 14.957 9.875 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.988 15.059 11.626 1.00 0.00 H new