USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 6 LYS NZ :NH3+ 161:sc= -0.0821 (180deg=-0.493) USER MOD Single : A 16 THR OG1 : rot -70:sc= 0.411 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0.926 (180deg=0.926) USER MOD Single : A 26 GLN : amide:sc= 0.00895 K(o=0.009,f=-0.91) USER MOD Single : A 28 TYR OH : rot -156:sc= 1.23 USER MOD Single : A 31 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 33 GLN : amide:sc= -0.866 K(o=-0.87,f=-0.035) USER MOD Single : A 34 SER OG : rot -82:sc= 1.11 USER MOD Single : A 35 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.223 K(o=-0.22,f=-6!) USER MOD Single : A 42 LYS NZ :NH3+ -117:sc= 1.1 (180deg=-0.086) USER MOD Single : A 45 SER OG : rot 140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 58 TYR OH : rot 70:sc= -0.0984 USER MOD Single : A 60 GLN : amide:sc= 1.14 K(o=1.1,f=-0.029) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 66 THR OG1 : rot 71:sc= 0.958 USER MOD Single : A 68 GLN : amide:sc= 0.214 K(o=0.21,f=-1.6!) USER MOD Single : A 71 SER OG : rot 87:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -6.561 -10.836 0.086 1.00 0.00 N ATOM 78 CA LYS A 6 -5.240 -10.334 0.334 1.00 0.00 C ATOM 79 C LYS A 6 -5.007 -9.252 -0.683 1.00 0.00 C ATOM 80 O LYS A 6 -5.411 -9.397 -1.848 1.00 0.00 O ATOM 81 CB LYS A 6 -4.176 -11.417 0.151 1.00 0.00 C ATOM 82 CG LYS A 6 -4.388 -12.674 0.965 1.00 0.00 C ATOM 83 CD LYS A 6 -3.253 -13.656 0.727 1.00 0.00 C ATOM 84 CE LYS A 6 -3.553 -15.017 1.319 1.00 0.00 C ATOM 85 NZ LYS A 6 -4.719 -15.638 0.662 1.00 0.00 N ATOM 0 HA LYS A 6 -5.166 -9.976 1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -4.136 -11.689 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.204 -10.996 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.445 -12.424 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.338 -13.134 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.078 -13.756 -0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.335 -13.264 1.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.683 -15.664 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.744 -14.918 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.714 -16.662 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.594 -15.224 1.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.673 -15.465 -0.363 1.00 0.00 H new ATOM 99 N LEU A 7 -4.396 -8.195 -0.278 1.00 0.00 N ATOM 100 CA LEU A 7 -4.165 -7.101 -1.157 1.00 0.00 C ATOM 101 C LEU A 7 -2.762 -7.193 -1.682 1.00 0.00 C ATOM 102 O LEU A 7 -1.794 -7.170 -0.913 1.00 0.00 O ATOM 103 CB LEU A 7 -4.382 -5.777 -0.428 1.00 0.00 C ATOM 104 CG LEU A 7 -5.754 -5.572 0.223 1.00 0.00 C ATOM 105 CD1 LEU A 7 -5.815 -4.224 0.908 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.879 -5.703 -0.799 1.00 0.00 C ATOM 0 H LEU A 7 -4.042 -8.063 0.670 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.868 -7.142 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.620 -5.685 0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.216 -4.966 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.891 -6.353 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.795 -4.093 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.045 -4.172 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.648 -3.435 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.839 -5.552 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.751 -4.953 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.852 -6.698 -1.244 1.00 0.00 H new ATOM 118 N VAL A 8 -2.640 -7.337 -2.968 1.00 0.00 N ATOM 119 CA VAL A 8 -1.350 -7.428 -3.572 1.00 0.00 C ATOM 120 C VAL A 8 -0.877 -6.033 -3.917 1.00 0.00 C ATOM 121 O VAL A 8 -1.465 -5.350 -4.766 1.00 0.00 O ATOM 122 CB VAL A 8 -1.364 -8.313 -4.846 1.00 0.00 C ATOM 123 CG1 VAL A 8 0.029 -8.425 -5.442 1.00 0.00 C ATOM 124 CG2 VAL A 8 -1.924 -9.699 -4.537 1.00 0.00 C ATOM 0 H VAL A 8 -3.423 -7.394 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.670 -7.899 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.013 -7.835 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.006 -9.050 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.392 -7.432 -5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.702 -8.873 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.924 -10.302 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.304 -10.182 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.944 -9.605 -4.164 1.00 0.00 H new ATOM 134 N LEU A 9 0.140 -5.610 -3.238 1.00 0.00 N ATOM 135 CA LEU A 9 0.715 -4.320 -3.444 1.00 0.00 C ATOM 136 C LEU A 9 1.857 -4.466 -4.428 1.00 0.00 C ATOM 137 O LEU A 9 2.771 -5.265 -4.207 1.00 0.00 O ATOM 138 CB LEU A 9 1.220 -3.758 -2.104 1.00 0.00 C ATOM 139 CG LEU A 9 1.768 -2.323 -2.114 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.679 -1.332 -2.493 1.00 0.00 C ATOM 141 CD2 LEU A 9 2.356 -1.973 -0.756 1.00 0.00 C ATOM 0 H LEU A 9 0.602 -6.160 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.026 -3.627 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.400 -3.803 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.004 -4.418 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 9 2.558 -2.263 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.090 -0.322 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.300 -1.570 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.135 -1.392 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.741 -0.953 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.582 -2.053 0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.168 -2.662 -0.523 1.00 0.00 H new ATOM 153 N ASP A 10 1.779 -3.756 -5.518 1.00 0.00 N ATOM 154 CA ASP A 10 2.807 -3.801 -6.539 1.00 0.00 C ATOM 155 C ASP A 10 3.940 -2.892 -6.115 1.00 0.00 C ATOM 156 O ASP A 10 3.800 -1.660 -6.113 1.00 0.00 O ATOM 157 CB ASP A 10 2.250 -3.337 -7.885 1.00 0.00 C ATOM 158 CG ASP A 10 3.195 -3.598 -9.035 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.253 -2.959 -9.128 1.00 0.00 O ATOM 160 OD2 ASP A 10 2.885 -4.472 -9.872 1.00 0.00 O ATOM 0 H ASP A 10 1.004 -3.128 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 10 3.163 -4.825 -6.653 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.305 -3.845 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.034 -2.270 -7.834 1.00 0.00 H new ATOM 165 N LEU A 11 5.051 -3.480 -5.750 1.00 0.00 N ATOM 166 CA LEU A 11 6.163 -2.722 -5.226 1.00 0.00 C ATOM 167 C LEU A 11 6.970 -2.069 -6.336 1.00 0.00 C ATOM 168 O LEU A 11 7.700 -1.123 -6.094 1.00 0.00 O ATOM 169 CB LEU A 11 7.058 -3.580 -4.338 1.00 0.00 C ATOM 170 CG LEU A 11 6.396 -4.262 -3.131 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.429 -5.025 -2.328 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.682 -3.255 -2.245 1.00 0.00 C ATOM 0 H LEU A 11 5.212 -4.486 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 11 5.743 -1.928 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.509 -4.354 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.870 -2.953 -3.970 1.00 0.00 H new ATOM 0 HG LEU A 11 5.651 -4.961 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.947 -5.503 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.890 -5.786 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.195 -4.336 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.225 -3.772 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.399 -2.522 -1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.908 -2.747 -2.821 1.00 0.00 H new ATOM 184 N GLU A 12 6.799 -2.544 -7.554 1.00 0.00 N ATOM 185 CA GLU A 12 7.494 -1.969 -8.701 1.00 0.00 C ATOM 186 C GLU A 12 6.878 -0.615 -9.011 1.00 0.00 C ATOM 187 O GLU A 12 7.582 0.378 -9.263 1.00 0.00 O ATOM 188 CB GLU A 12 7.378 -2.894 -9.902 1.00 0.00 C ATOM 189 CG GLU A 12 8.034 -4.248 -9.701 1.00 0.00 C ATOM 190 CD GLU A 12 9.536 -4.157 -9.612 1.00 0.00 C ATOM 191 OE1 GLU A 12 10.067 -3.792 -8.553 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.221 -4.478 -10.609 1.00 0.00 O ATOM 0 H GLU A 12 6.186 -3.327 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 12 8.552 -1.846 -8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.323 -3.043 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.828 -2.408 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.647 -4.704 -8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.762 -4.906 -10.527 1.00 0.00 H new ATOM 199 N ARG A 13 5.557 -0.572 -8.965 1.00 0.00 N ATOM 200 CA ARG A 13 4.828 0.672 -9.114 1.00 0.00 C ATOM 201 C ARG A 13 5.134 1.574 -7.945 1.00 0.00 C ATOM 202 O ARG A 13 5.317 2.766 -8.100 1.00 0.00 O ATOM 203 CB ARG A 13 3.326 0.439 -9.161 1.00 0.00 C ATOM 204 CG ARG A 13 2.813 -0.290 -10.364 1.00 0.00 C ATOM 205 CD ARG A 13 3.086 0.484 -11.648 1.00 0.00 C ATOM 206 NE ARG A 13 2.421 1.794 -11.641 1.00 0.00 N ATOM 207 CZ ARG A 13 3.001 2.969 -11.934 1.00 0.00 C ATOM 208 NH1 ARG A 13 4.276 3.021 -12.308 1.00 0.00 N ATOM 209 NH2 ARG A 13 2.289 4.090 -11.858 1.00 0.00 N ATOM 0 H ARG A 13 4.966 -1.391 -8.825 1.00 0.00 H new ATOM 0 HA ARG A 13 5.140 1.130 -10.053 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.037 -0.120 -8.271 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.826 1.406 -9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.283 -1.272 -10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.741 -0.456 -10.260 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.160 0.621 -11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.740 -0.096 -12.504 1.00 0.00 H new ATOM 0 HE ARG A 13 1.432 1.813 -11.392 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.823 2.163 -12.375 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.707 3.919 -12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.309 4.054 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.723 4.986 -12.079 1.00 0.00 H new ATOM 223 N LEU A 14 5.219 0.980 -6.774 1.00 0.00 N ATOM 224 CA LEU A 14 5.486 1.713 -5.551 1.00 0.00 C ATOM 225 C LEU A 14 6.872 2.362 -5.610 1.00 0.00 C ATOM 226 O LEU A 14 7.090 3.446 -5.068 1.00 0.00 O ATOM 227 CB LEU A 14 5.391 0.773 -4.350 1.00 0.00 C ATOM 228 CG LEU A 14 5.410 1.426 -2.979 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.174 2.283 -2.792 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.505 0.377 -1.891 1.00 0.00 C ATOM 0 H LEU A 14 5.105 -0.025 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 14 4.741 2.501 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.471 0.195 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.219 0.066 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 14 6.289 2.066 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.198 2.746 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.150 3.059 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.283 1.661 -2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.517 0.864 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.645 -0.290 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.421 -0.199 -2.020 1.00 0.00 H new ATOM 242 N ALA A 15 7.790 1.693 -6.288 1.00 0.00 N ATOM 243 CA ALA A 15 9.137 2.181 -6.457 1.00 0.00 C ATOM 244 C ALA A 15 9.204 3.291 -7.503 1.00 0.00 C ATOM 245 O ALA A 15 10.138 4.092 -7.501 1.00 0.00 O ATOM 246 CB ALA A 15 10.079 1.042 -6.815 1.00 0.00 C ATOM 0 H ALA A 15 7.615 0.793 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 15 9.457 2.607 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.090 1.431 -6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.071 0.299 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.753 0.579 -7.746 1.00 0.00 H new ATOM 252 N THR A 16 8.240 3.346 -8.400 1.00 0.00 N ATOM 253 CA THR A 16 8.220 4.412 -9.374 1.00 0.00 C ATOM 254 C THR A 16 7.423 5.629 -8.878 1.00 0.00 C ATOM 255 O THR A 16 7.681 6.772 -9.294 1.00 0.00 O ATOM 256 CB THR A 16 7.751 3.922 -10.758 1.00 0.00 C ATOM 257 OG1 THR A 16 6.797 2.862 -10.600 1.00 0.00 O ATOM 258 CG2 THR A 16 8.928 3.435 -11.586 1.00 0.00 C ATOM 0 H THR A 16 7.474 2.677 -8.473 1.00 0.00 H new ATOM 0 HA THR A 16 9.249 4.748 -9.500 1.00 0.00 H new ATOM 0 HB THR A 16 7.284 4.757 -11.280 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.252 2.059 -10.270 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.573 3.094 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.638 4.251 -11.725 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.419 2.610 -11.070 1.00 0.00 H new ATOM 266 N VAL A 17 6.482 5.390 -7.975 1.00 0.00 N ATOM 267 CA VAL A 17 5.734 6.467 -7.344 1.00 0.00 C ATOM 268 C VAL A 17 6.679 7.262 -6.440 1.00 0.00 C ATOM 269 O VAL A 17 7.441 6.664 -5.664 1.00 0.00 O ATOM 270 CB VAL A 17 4.520 5.934 -6.510 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.802 7.071 -5.777 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.537 5.217 -7.412 1.00 0.00 C ATOM 0 H VAL A 17 6.218 4.456 -7.662 1.00 0.00 H new ATOM 0 HA VAL A 17 5.328 7.105 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 17 4.912 5.238 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.965 6.666 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.498 7.563 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.431 7.795 -6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.698 4.852 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.171 5.907 -8.172 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.033 4.375 -7.895 1.00 0.00 H new ATOM 282 N PRO A 18 6.698 8.607 -6.590 1.00 0.00 N ATOM 283 CA PRO A 18 7.546 9.499 -5.797 1.00 0.00 C ATOM 284 C PRO A 18 7.528 9.191 -4.295 1.00 0.00 C ATOM 285 O PRO A 18 6.454 8.947 -3.681 1.00 0.00 O ATOM 286 CB PRO A 18 6.945 10.875 -6.061 1.00 0.00 C ATOM 287 CG PRO A 18 6.399 10.781 -7.437 1.00 0.00 C ATOM 288 CD PRO A 18 5.901 9.370 -7.587 1.00 0.00 C ATOM 0 HA PRO A 18 8.594 9.401 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.164 11.113 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.698 11.659 -5.985 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.592 11.498 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.166 11.005 -8.178 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.832 9.299 -7.384 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.059 8.995 -8.598 1.00 0.00 H new ATOM 296 N ALA A 19 8.712 9.248 -3.705 1.00 0.00 N ATOM 297 CA ALA A 19 8.954 8.972 -2.299 1.00 0.00 C ATOM 298 C ALA A 19 8.196 9.934 -1.394 1.00 0.00 C ATOM 299 O ALA A 19 8.035 9.663 -0.205 1.00 0.00 O ATOM 300 CB ALA A 19 10.441 8.993 -1.994 1.00 0.00 C ATOM 0 H ALA A 19 9.561 9.497 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 19 8.576 7.971 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.598 8.784 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.946 8.235 -2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.848 9.975 -2.234 1.00 0.00 H new ATOM 306 N GLU A 20 7.744 11.061 -1.972 1.00 0.00 N ATOM 307 CA GLU A 20 6.910 12.059 -1.274 1.00 0.00 C ATOM 308 C GLU A 20 5.752 11.333 -0.606 1.00 0.00 C ATOM 309 O GLU A 20 5.413 11.575 0.541 1.00 0.00 O ATOM 310 CB GLU A 20 6.217 12.974 -2.274 1.00 0.00 C ATOM 311 CG GLU A 20 7.016 13.483 -3.435 1.00 0.00 C ATOM 312 CD GLU A 20 6.082 14.146 -4.417 1.00 0.00 C ATOM 313 OE1 GLU A 20 5.127 13.481 -4.876 1.00 0.00 O ATOM 314 OE2 GLU A 20 6.255 15.333 -4.729 1.00 0.00 O ATOM 0 H GLU A 20 7.947 11.307 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 20 7.556 12.607 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.354 12.441 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.835 13.837 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.769 14.193 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.548 12.662 -3.916 1.00 0.00 H new ATOM 321 N LYS A 21 5.164 10.434 -1.369 1.00 0.00 N ATOM 322 CA LYS A 21 3.988 9.730 -0.958 1.00 0.00 C ATOM 323 C LYS A 21 4.332 8.285 -0.594 1.00 0.00 C ATOM 324 O LYS A 21 4.000 7.808 0.495 1.00 0.00 O ATOM 325 CB LYS A 21 2.967 9.738 -2.111 1.00 0.00 C ATOM 326 CG LYS A 21 2.692 11.120 -2.711 1.00 0.00 C ATOM 327 CD LYS A 21 1.643 11.048 -3.810 1.00 0.00 C ATOM 328 CE LYS A 21 1.417 12.402 -4.484 1.00 0.00 C ATOM 329 NZ LYS A 21 2.580 12.860 -5.296 1.00 0.00 N ATOM 0 H LYS A 21 5.499 10.177 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 21 3.566 10.222 -0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.326 9.079 -2.901 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.027 9.320 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.354 11.798 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.616 11.534 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.953 10.319 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.703 10.692 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.538 12.338 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.200 13.148 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.362 13.782 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.416 12.951 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.774 12.166 -6.046 1.00 0.00 H new ATOM 343 N ALA A 22 5.059 7.621 -1.483 1.00 0.00 N ATOM 344 CA ALA A 22 5.317 6.186 -1.370 1.00 0.00 C ATOM 345 C ALA A 22 6.544 5.836 -0.530 1.00 0.00 C ATOM 346 O ALA A 22 6.759 4.666 -0.226 1.00 0.00 O ATOM 347 CB ALA A 22 5.465 5.595 -2.756 1.00 0.00 C ATOM 0 H ALA A 22 5.486 8.057 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 22 4.461 5.759 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.658 4.525 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.547 5.758 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.297 6.076 -3.270 1.00 0.00 H new ATOM 353 N GLY A 23 7.312 6.837 -0.135 1.00 0.00 N ATOM 354 CA GLY A 23 8.567 6.618 0.604 1.00 0.00 C ATOM 355 C GLY A 23 8.415 5.759 1.861 1.00 0.00 C ATOM 356 O GLY A 23 8.956 4.645 1.917 1.00 0.00 O ATOM 0 H GLY A 23 7.096 7.818 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.289 6.144 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.982 7.585 0.887 1.00 0.00 H new ATOM 360 N PRO A 24 7.674 6.230 2.889 1.00 0.00 N ATOM 361 CA PRO A 24 7.449 5.457 4.126 1.00 0.00 C ATOM 362 C PRO A 24 6.741 4.118 3.860 1.00 0.00 C ATOM 363 O PRO A 24 6.926 3.147 4.597 1.00 0.00 O ATOM 364 CB PRO A 24 6.554 6.376 4.967 1.00 0.00 C ATOM 365 CG PRO A 24 6.829 7.740 4.445 1.00 0.00 C ATOM 366 CD PRO A 24 7.047 7.568 2.970 1.00 0.00 C ATOM 0 HA PRO A 24 8.387 5.192 4.613 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.502 6.114 4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.793 6.301 6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.994 8.412 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.707 8.174 4.924 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.110 7.611 2.414 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.695 8.344 2.563 1.00 0.00 H new ATOM 374 N LEU A 25 5.981 4.059 2.780 1.00 0.00 N ATOM 375 CA LEU A 25 5.252 2.855 2.419 1.00 0.00 C ATOM 376 C LEU A 25 6.201 1.779 1.898 1.00 0.00 C ATOM 377 O LEU A 25 6.056 0.596 2.229 1.00 0.00 O ATOM 378 CB LEU A 25 4.118 3.176 1.426 1.00 0.00 C ATOM 379 CG LEU A 25 3.300 1.987 0.879 1.00 0.00 C ATOM 380 CD1 LEU A 25 2.825 1.080 2.000 1.00 0.00 C ATOM 381 CD2 LEU A 25 2.103 2.499 0.101 1.00 0.00 C ATOM 0 H LEU A 25 5.852 4.837 2.133 1.00 0.00 H new ATOM 0 HA LEU A 25 4.781 2.451 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.428 3.865 1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.552 3.706 0.578 1.00 0.00 H new ATOM 0 HG LEU A 25 3.949 1.408 0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.252 0.253 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.686 0.688 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.195 1.647 2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.530 1.655 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.472 3.098 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.446 3.113 -0.732 1.00 0.00 H new ATOM 393 N GLN A 26 7.198 2.192 1.123 1.00 0.00 N ATOM 394 CA GLN A 26 8.225 1.268 0.648 1.00 0.00 C ATOM 395 C GLN A 26 8.958 0.664 1.841 1.00 0.00 C ATOM 396 O GLN A 26 9.272 -0.530 1.863 1.00 0.00 O ATOM 397 CB GLN A 26 9.228 1.974 -0.261 1.00 0.00 C ATOM 398 CG GLN A 26 8.680 2.438 -1.596 1.00 0.00 C ATOM 399 CD GLN A 26 9.735 3.142 -2.419 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.924 2.859 -2.293 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.321 4.021 -3.280 1.00 0.00 N ATOM 0 H GLN A 26 7.318 3.156 0.811 1.00 0.00 H new ATOM 0 HA GLN A 26 7.736 0.482 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.627 2.839 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.064 1.299 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.298 1.581 -2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.839 3.111 -1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.326 4.230 -3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.991 4.502 -3.880 1.00 0.00 H new ATOM 410 N ARG A 27 9.177 1.495 2.848 1.00 0.00 N ATOM 411 CA ARG A 27 9.849 1.080 4.071 1.00 0.00 C ATOM 412 C ARG A 27 8.978 0.159 4.906 1.00 0.00 C ATOM 413 O ARG A 27 9.478 -0.788 5.499 1.00 0.00 O ATOM 414 CB ARG A 27 10.347 2.278 4.889 1.00 0.00 C ATOM 415 CG ARG A 27 11.698 2.853 4.435 1.00 0.00 C ATOM 416 CD ARG A 27 11.698 3.263 2.968 1.00 0.00 C ATOM 417 NE ARG A 27 12.974 3.836 2.550 1.00 0.00 N ATOM 418 CZ ARG A 27 13.346 4.041 1.278 1.00 0.00 C ATOM 419 NH1 ARG A 27 12.625 3.540 0.270 1.00 0.00 N ATOM 420 NH2 ARG A 27 14.468 4.698 1.023 1.00 0.00 N ATOM 0 H ARG A 27 8.895 2.475 2.841 1.00 0.00 H new ATOM 0 HA ARG A 27 10.729 0.511 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.598 3.068 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.429 1.978 5.934 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.945 3.718 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.479 2.111 4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.474 2.393 2.351 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.903 3.989 2.797 1.00 0.00 H new ATOM 0 HE ARG A 27 13.633 4.101 3.282 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.784 2.997 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.916 3.701 -0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.042 5.044 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.757 4.858 0.058 1.00 0.00 H new ATOM 434 N TYR A 28 7.681 0.429 4.939 1.00 0.00 N ATOM 435 CA TYR A 28 6.714 -0.445 5.620 1.00 0.00 C ATOM 436 C TYR A 28 6.776 -1.834 4.993 1.00 0.00 C ATOM 437 O TYR A 28 6.868 -2.845 5.694 1.00 0.00 O ATOM 438 CB TYR A 28 5.280 0.131 5.507 1.00 0.00 C ATOM 439 CG TYR A 28 4.192 -0.698 6.197 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.963 -0.573 7.558 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.395 -1.591 5.483 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.977 -1.311 8.197 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.402 -2.332 6.113 1.00 0.00 C ATOM 444 CZ TYR A 28 2.198 -2.185 7.471 1.00 0.00 C ATOM 445 OH TYR A 28 1.204 -2.912 8.110 1.00 0.00 O ATOM 0 H TYR A 28 7.264 1.250 4.501 1.00 0.00 H new ATOM 0 HA TYR A 28 6.968 -0.507 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.274 1.135 5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.026 0.229 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.565 0.114 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.552 -1.709 4.421 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.821 -1.201 9.260 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.793 -3.019 5.544 1.00 0.00 H new ATOM 0 HH TYR A 28 1.007 -3.721 7.593 1.00 0.00 H new ATOM 455 N ALA A 29 6.774 -1.857 3.671 1.00 0.00 N ATOM 456 CA ALA A 29 6.873 -3.087 2.911 1.00 0.00 C ATOM 457 C ALA A 29 8.194 -3.787 3.210 1.00 0.00 C ATOM 458 O ALA A 29 8.213 -4.977 3.496 1.00 0.00 O ATOM 459 CB ALA A 29 6.743 -2.796 1.424 1.00 0.00 C ATOM 0 H ALA A 29 6.703 -1.019 3.094 1.00 0.00 H new ATOM 0 HA ALA A 29 6.059 -3.750 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.819 -3.727 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.777 -2.332 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.540 -2.120 1.114 1.00 0.00 H new ATOM 465 N ALA A 30 9.284 -3.016 3.191 1.00 0.00 N ATOM 466 CA ALA A 30 10.635 -3.520 3.482 1.00 0.00 C ATOM 467 C ALA A 30 10.690 -4.152 4.865 1.00 0.00 C ATOM 468 O ALA A 30 11.365 -5.166 5.082 1.00 0.00 O ATOM 469 CB ALA A 30 11.654 -2.391 3.393 1.00 0.00 C ATOM 0 H ALA A 30 9.258 -2.020 2.973 1.00 0.00 H new ATOM 0 HA ALA A 30 10.878 -4.280 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.648 -2.780 3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.642 -1.968 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.402 -1.615 4.116 1.00 0.00 H new ATOM 475 N THR A 31 9.968 -3.555 5.790 1.00 0.00 N ATOM 476 CA THR A 31 9.870 -4.047 7.135 1.00 0.00 C ATOM 477 C THR A 31 9.206 -5.436 7.138 1.00 0.00 C ATOM 478 O THR A 31 9.708 -6.369 7.766 1.00 0.00 O ATOM 479 CB THR A 31 9.072 -3.053 8.010 1.00 0.00 C ATOM 480 OG1 THR A 31 9.714 -1.764 7.965 1.00 0.00 O ATOM 481 CG2 THR A 31 9.013 -3.519 9.448 1.00 0.00 C ATOM 0 H THR A 31 9.429 -2.706 5.620 1.00 0.00 H new ATOM 0 HA THR A 31 10.871 -4.142 7.555 1.00 0.00 H new ATOM 0 HB THR A 31 8.056 -2.991 7.621 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.439 -1.290 7.153 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.446 -2.801 10.040 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.526 -4.493 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.024 -3.599 9.846 1.00 0.00 H new ATOM 489 N ILE A 32 8.119 -5.571 6.385 1.00 0.00 N ATOM 490 CA ILE A 32 7.413 -6.839 6.263 1.00 0.00 C ATOM 491 C ILE A 32 8.330 -7.881 5.611 1.00 0.00 C ATOM 492 O ILE A 32 8.507 -8.985 6.142 1.00 0.00 O ATOM 493 CB ILE A 32 6.110 -6.693 5.417 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.182 -5.634 6.038 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.386 -8.041 5.299 1.00 0.00 C ATOM 496 CD1 ILE A 32 3.876 -5.428 5.300 1.00 0.00 C ATOM 0 H ILE A 32 7.706 -4.810 5.846 1.00 0.00 H new ATOM 0 HA ILE A 32 7.132 -7.162 7.265 1.00 0.00 H new ATOM 0 HB ILE A 32 6.387 -6.366 4.415 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.962 -5.921 7.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.714 -4.684 6.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.480 -7.917 4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.041 -8.765 4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.122 -8.400 6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.287 -4.665 5.809 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.082 -5.107 4.279 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.318 -6.364 5.280 1.00 0.00 H new ATOM 508 N GLN A 33 8.943 -7.487 4.491 1.00 0.00 N ATOM 509 CA GLN A 33 9.856 -8.339 3.711 1.00 0.00 C ATOM 510 C GLN A 33 10.944 -8.946 4.592 1.00 0.00 C ATOM 511 O GLN A 33 11.112 -10.170 4.632 1.00 0.00 O ATOM 512 CB GLN A 33 10.533 -7.525 2.603 1.00 0.00 C ATOM 513 CG GLN A 33 9.597 -6.935 1.560 1.00 0.00 C ATOM 514 CD GLN A 33 10.326 -6.038 0.567 1.00 0.00 C ATOM 515 OE1 GLN A 33 9.764 -5.076 0.044 1.00 0.00 O ATOM 516 NE2 GLN A 33 11.574 -6.330 0.308 1.00 0.00 N ATOM 0 H GLN A 33 8.820 -6.556 4.092 1.00 0.00 H new ATOM 0 HA GLN A 33 9.255 -9.139 3.279 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.094 -6.712 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.256 -8.164 2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.103 -7.743 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.817 -6.361 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.013 -7.134 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.108 -5.754 -0.343 1.00 0.00 H new ATOM 525 N SER A 34 11.649 -8.088 5.316 1.00 0.00 N ATOM 526 CA SER A 34 12.756 -8.499 6.156 1.00 0.00 C ATOM 527 C SER A 34 12.319 -9.437 7.288 1.00 0.00 C ATOM 528 O SER A 34 13.018 -10.399 7.603 1.00 0.00 O ATOM 529 CB SER A 34 13.512 -7.269 6.676 1.00 0.00 C ATOM 530 OG SER A 34 12.613 -6.303 7.210 1.00 0.00 O ATOM 0 H SER A 34 11.466 -7.085 5.335 1.00 0.00 H new ATOM 0 HA SER A 34 13.442 -9.083 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.223 -7.573 7.445 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.090 -6.824 5.866 1.00 0.00 H new ATOM 0 HG SER A 34 12.243 -5.763 6.481 1.00 0.00 H new ATOM 536 N GLN A 35 11.144 -9.183 7.865 1.00 0.00 N ATOM 537 CA GLN A 35 10.615 -10.032 8.938 1.00 0.00 C ATOM 538 C GLN A 35 10.298 -11.418 8.422 1.00 0.00 C ATOM 539 O GLN A 35 10.613 -12.408 9.065 1.00 0.00 O ATOM 540 CB GLN A 35 9.359 -9.435 9.558 1.00 0.00 C ATOM 541 CG GLN A 35 9.581 -8.120 10.263 1.00 0.00 C ATOM 542 CD GLN A 35 8.303 -7.497 10.781 1.00 0.00 C ATOM 543 OE1 GLN A 35 8.186 -6.286 10.849 1.00 0.00 O ATOM 544 NE2 GLN A 35 7.339 -8.302 11.144 1.00 0.00 N ATOM 0 H GLN A 35 10.541 -8.400 7.610 1.00 0.00 H new ATOM 0 HA GLN A 35 11.389 -10.095 9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.613 -9.293 8.776 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.943 -10.150 10.269 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.266 -8.273 11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.064 -7.425 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.465 -9.312 11.076 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.461 -7.920 11.495 1.00 0.00 H new ATOM 553 N ARG A 36 9.711 -11.479 7.240 1.00 0.00 N ATOM 554 CA ARG A 36 9.301 -12.755 6.644 1.00 0.00 C ATOM 555 C ARG A 36 10.510 -13.489 6.068 1.00 0.00 C ATOM 556 O ARG A 36 10.486 -14.709 5.869 1.00 0.00 O ATOM 557 CB ARG A 36 8.273 -12.521 5.521 1.00 0.00 C ATOM 558 CG ARG A 36 7.069 -11.676 5.919 1.00 0.00 C ATOM 559 CD ARG A 36 6.311 -12.269 7.086 1.00 0.00 C ATOM 560 NE ARG A 36 5.235 -11.381 7.553 1.00 0.00 N ATOM 561 CZ ARG A 36 4.205 -11.764 8.330 1.00 0.00 C ATOM 562 NH1 ARG A 36 4.000 -13.055 8.596 1.00 0.00 N ATOM 563 NH2 ARG A 36 3.359 -10.857 8.812 1.00 0.00 N ATOM 0 H ARG A 36 9.504 -10.662 6.666 1.00 0.00 H new ATOM 0 HA ARG A 36 8.848 -13.362 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.776 -12.039 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.918 -13.488 5.166 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.403 -10.671 6.179 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.398 -11.578 5.065 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.887 -13.229 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.002 -12.463 7.906 1.00 0.00 H new ATOM 0 HE ARG A 36 5.272 -10.403 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.626 -13.761 8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.217 -13.336 9.186 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.491 -9.870 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.579 -11.149 9.401 1.00 0.00 H new ATOM 577 N GLY A 37 11.559 -12.735 5.802 1.00 0.00 N ATOM 578 CA GLY A 37 12.741 -13.290 5.187 1.00 0.00 C ATOM 579 C GLY A 37 12.512 -13.466 3.710 1.00 0.00 C ATOM 580 O GLY A 37 13.173 -14.269 3.045 1.00 0.00 O ATOM 0 H GLY A 37 11.613 -11.737 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.593 -12.632 5.356 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.983 -14.250 5.644 1.00 0.00 H new ATOM 584 N ASP A 38 11.581 -12.701 3.196 1.00 0.00 N ATOM 585 CA ASP A 38 11.190 -12.797 1.819 1.00 0.00 C ATOM 586 C ASP A 38 11.567 -11.568 1.072 1.00 0.00 C ATOM 587 O ASP A 38 11.027 -10.496 1.322 1.00 0.00 O ATOM 588 CB ASP A 38 9.672 -13.017 1.650 1.00 0.00 C ATOM 589 CG ASP A 38 9.182 -14.381 2.069 1.00 0.00 C ATOM 590 OD1 ASP A 38 9.866 -15.382 1.787 1.00 0.00 O ATOM 591 OD2 ASP A 38 8.082 -14.480 2.670 1.00 0.00 O ATOM 0 H ASP A 38 11.074 -11.993 3.726 1.00 0.00 H new ATOM 0 HA ASP A 38 11.717 -13.663 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.142 -12.262 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.410 -12.857 0.604 1.00 0.00 H new ATOM 596 N TYR A 39 12.494 -11.694 0.176 1.00 0.00 N ATOM 597 CA TYR A 39 12.793 -10.610 -0.697 1.00 0.00 C ATOM 598 C TYR A 39 12.117 -10.911 -2.015 1.00 0.00 C ATOM 599 O TYR A 39 12.733 -11.355 -2.985 1.00 0.00 O ATOM 600 CB TYR A 39 14.300 -10.358 -0.862 1.00 0.00 C ATOM 601 CG TYR A 39 14.619 -9.047 -1.572 1.00 0.00 C ATOM 602 CD1 TYR A 39 14.662 -7.850 -0.865 1.00 0.00 C ATOM 603 CD2 TYR A 39 14.870 -9.004 -2.940 1.00 0.00 C ATOM 604 CE1 TYR A 39 14.943 -6.653 -1.499 1.00 0.00 C ATOM 605 CE2 TYR A 39 15.151 -7.813 -3.579 1.00 0.00 C ATOM 606 CZ TYR A 39 15.185 -6.641 -2.856 1.00 0.00 C ATOM 607 OH TYR A 39 15.469 -5.445 -3.497 1.00 0.00 O ATOM 0 H TYR A 39 13.054 -12.534 0.032 1.00 0.00 H new ATOM 0 HA TYR A 39 12.416 -9.681 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.770 -10.354 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 39 14.740 -11.183 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 39 14.473 -7.855 0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.845 -9.919 -3.513 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.973 -5.733 -0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.343 -7.800 -4.642 1.00 0.00 H new ATOM 0 HH TYR A 39 15.615 -5.612 -4.451 1.00 0.00 H new ATOM 617 N ASN A 40 10.824 -10.792 -1.983 1.00 0.00 N ATOM 618 CA ASN A 40 9.981 -11.034 -3.127 1.00 0.00 C ATOM 619 C ASN A 40 10.028 -9.829 -4.039 1.00 0.00 C ATOM 620 O ASN A 40 10.005 -9.968 -5.257 1.00 0.00 O ATOM 621 CB ASN A 40 8.545 -11.434 -2.685 1.00 0.00 C ATOM 622 CG ASN A 40 7.866 -10.440 -1.741 1.00 0.00 C ATOM 623 OD1 ASN A 40 8.524 -9.683 -1.023 1.00 0.00 O ATOM 624 ND2 ASN A 40 6.570 -10.490 -1.675 1.00 0.00 N ATOM 0 H ASN A 40 10.310 -10.518 -1.146 1.00 0.00 H new ATOM 0 HA ASN A 40 10.351 -11.885 -3.698 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.925 -11.551 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.588 -12.407 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.069 -9.893 -1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.053 -11.126 -2.282 1.00 0.00 H new ATOM 631 N GLY A 41 10.069 -8.649 -3.420 1.00 0.00 N ATOM 632 CA GLY A 41 10.402 -7.385 -4.091 1.00 0.00 C ATOM 633 C GLY A 41 9.409 -6.832 -5.105 1.00 0.00 C ATOM 634 O GLY A 41 9.139 -5.653 -5.103 1.00 0.00 O ATOM 0 H GLY A 41 9.870 -8.539 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.551 -6.627 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.358 -7.517 -4.597 1.00 0.00 H new ATOM 638 N LYS A 42 8.909 -7.657 -5.974 1.00 0.00 N ATOM 639 CA LYS A 42 8.036 -7.217 -7.061 1.00 0.00 C ATOM 640 C LYS A 42 6.650 -6.831 -6.567 1.00 0.00 C ATOM 641 O LYS A 42 6.036 -5.865 -7.051 1.00 0.00 O ATOM 642 CB LYS A 42 7.933 -8.318 -8.111 1.00 0.00 C ATOM 643 CG LYS A 42 9.273 -8.727 -8.708 1.00 0.00 C ATOM 644 CD LYS A 42 9.933 -7.564 -9.418 1.00 0.00 C ATOM 645 CE LYS A 42 11.259 -7.947 -10.039 1.00 0.00 C ATOM 646 NZ LYS A 42 11.844 -6.823 -10.804 1.00 0.00 N ATOM 0 H LYS A 42 9.085 -8.662 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 42 8.479 -6.324 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.464 -9.193 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.276 -7.982 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.929 -9.094 -7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.126 -9.549 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.266 -7.189 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 42 10.088 -6.750 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.952 -8.256 -9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.119 -8.804 -10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.916 -7.086 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.236 -5.985 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.792 -6.607 -10.434 1.00 0.00 H new ATOM 660 N VAL A 43 6.172 -7.571 -5.617 1.00 0.00 N ATOM 661 CA VAL A 43 4.860 -7.391 -5.042 1.00 0.00 C ATOM 662 C VAL A 43 4.955 -7.721 -3.581 1.00 0.00 C ATOM 663 O VAL A 43 6.004 -8.152 -3.129 1.00 0.00 O ATOM 664 CB VAL A 43 3.790 -8.333 -5.691 1.00 0.00 C ATOM 665 CG1 VAL A 43 3.498 -7.955 -7.134 1.00 0.00 C ATOM 666 CG2 VAL A 43 4.236 -9.788 -5.612 1.00 0.00 C ATOM 0 H VAL A 43 6.694 -8.343 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 43 4.546 -6.362 -5.217 1.00 0.00 H new ATOM 0 HB VAL A 43 2.868 -8.210 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.751 -8.634 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.120 -6.933 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.414 -8.026 -7.721 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.479 -10.426 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.180 -9.909 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.368 -10.072 -4.568 1.00 0.00 H new ATOM 676 N LEU A 44 3.899 -7.504 -2.859 1.00 0.00 N ATOM 677 CA LEU A 44 3.825 -7.882 -1.475 1.00 0.00 C ATOM 678 C LEU A 44 2.381 -8.168 -1.143 1.00 0.00 C ATOM 679 O LEU A 44 1.485 -7.481 -1.640 1.00 0.00 O ATOM 680 CB LEU A 44 4.358 -6.766 -0.569 1.00 0.00 C ATOM 681 CG LEU A 44 4.482 -7.107 0.919 1.00 0.00 C ATOM 682 CD1 LEU A 44 5.536 -8.179 1.150 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.801 -5.873 1.719 1.00 0.00 C ATOM 0 H LEU A 44 3.055 -7.055 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 44 4.440 -8.766 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.340 -6.467 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.703 -5.901 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 44 3.522 -7.500 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.602 -8.401 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.260 -9.083 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.502 -7.822 0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.885 -6.135 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.744 -5.449 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.005 -5.140 1.590 1.00 0.00 H new ATOM 695 N SER A 45 2.150 -9.174 -0.359 1.00 0.00 N ATOM 696 CA SER A 45 0.823 -9.524 0.042 1.00 0.00 C ATOM 697 C SER A 45 0.543 -8.890 1.396 1.00 0.00 C ATOM 698 O SER A 45 1.175 -9.240 2.398 1.00 0.00 O ATOM 699 CB SER A 45 0.698 -11.058 0.112 1.00 0.00 C ATOM 700 OG SER A 45 -0.606 -11.480 0.482 1.00 0.00 O ATOM 0 H SER A 45 2.878 -9.778 0.022 1.00 0.00 H new ATOM 0 HA SER A 45 0.093 -9.156 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.953 -11.485 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.420 -11.446 0.831 1.00 0.00 H new ATOM 0 HG SER A 45 -0.858 -12.265 -0.048 1.00 0.00 H new ATOM 706 N ILE A 46 -0.339 -7.929 1.423 1.00 0.00 N ATOM 707 CA ILE A 46 -0.713 -7.300 2.661 1.00 0.00 C ATOM 708 C ILE A 46 -2.172 -7.589 2.933 1.00 0.00 C ATOM 709 O ILE A 46 -2.914 -7.983 2.027 1.00 0.00 O ATOM 710 CB ILE A 46 -0.451 -5.758 2.673 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.270 -5.037 1.586 1.00 0.00 C ATOM 712 CG2 ILE A 46 1.041 -5.466 2.521 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.104 -3.527 1.569 1.00 0.00 C ATOM 0 H ILE A 46 -0.814 -7.563 0.598 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.085 -7.718 3.448 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.780 -5.371 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.984 -5.432 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.325 -5.272 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.204 -4.388 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.587 -5.924 3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.398 -5.878 1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.716 -3.103 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.419 -3.115 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.057 -3.278 1.394 1.00 0.00 H new ATOM 725 N ARG A 47 -2.585 -7.428 4.144 1.00 0.00 N ATOM 726 CA ARG A 47 -3.943 -7.690 4.507 1.00 0.00 C ATOM 727 C ARG A 47 -4.747 -6.414 4.368 1.00 0.00 C ATOM 728 O ARG A 47 -4.175 -5.321 4.223 1.00 0.00 O ATOM 729 CB ARG A 47 -3.985 -8.168 5.937 1.00 0.00 C ATOM 730 CG ARG A 47 -3.076 -9.343 6.200 1.00 0.00 C ATOM 731 CD ARG A 47 -3.141 -9.719 7.636 1.00 0.00 C ATOM 732 NE ARG A 47 -2.115 -10.696 8.005 1.00 0.00 N ATOM 733 CZ ARG A 47 -1.244 -10.535 9.012 1.00 0.00 C ATOM 734 NH1 ARG A 47 -1.205 -9.391 9.691 1.00 0.00 N ATOM 735 NH2 ARG A 47 -0.392 -11.499 9.314 1.00 0.00 N ATOM 0 H ARG A 47 -1.994 -7.111 4.913 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.365 -8.456 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.705 -7.346 6.596 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.008 -8.445 6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.372 -10.189 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.052 -9.090 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.024 -8.825 8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.126 -10.130 7.857 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.059 -11.556 7.460 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.840 -8.631 9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.540 -9.274 10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.396 -12.368 8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.269 -11.374 10.080 1.00 0.00 H new ATOM 749 N GLN A 48 -6.057 -6.527 4.454 1.00 0.00 N ATOM 750 CA GLN A 48 -6.935 -5.361 4.374 1.00 0.00 C ATOM 751 C GLN A 48 -6.711 -4.505 5.603 1.00 0.00 C ATOM 752 O GLN A 48 -6.833 -3.282 5.577 1.00 0.00 O ATOM 753 CB GLN A 48 -8.395 -5.795 4.322 1.00 0.00 C ATOM 754 CG GLN A 48 -8.734 -6.718 3.172 1.00 0.00 C ATOM 755 CD GLN A 48 -10.162 -7.189 3.244 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.061 -6.571 2.697 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.380 -8.275 3.934 1.00 0.00 N ATOM 0 H GLN A 48 -6.545 -7.414 4.580 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.707 -4.798 3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.646 -6.294 5.258 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.023 -4.907 4.256 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.568 -6.200 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.065 -7.578 3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.601 -8.763 4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.329 -8.636 4.031 1.00 0.00 H new ATOM 766 N ASP A 49 -6.344 -5.170 6.678 1.00 0.00 N ATOM 767 CA ASP A 49 -6.066 -4.504 7.924 1.00 0.00 C ATOM 768 C ASP A 49 -4.737 -3.751 7.866 1.00 0.00 C ATOM 769 O ASP A 49 -4.573 -2.725 8.526 1.00 0.00 O ATOM 770 CB ASP A 49 -6.110 -5.476 9.089 1.00 0.00 C ATOM 771 CG ASP A 49 -5.923 -4.788 10.414 1.00 0.00 C ATOM 772 OD1 ASP A 49 -6.728 -3.884 10.755 1.00 0.00 O ATOM 773 OD2 ASP A 49 -5.006 -5.169 11.163 1.00 0.00 O ATOM 0 H ASP A 49 -6.232 -6.183 6.709 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.850 -3.765 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.066 -6.000 9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.333 -6.229 8.960 1.00 0.00 H new ATOM 778 N ASP A 50 -3.796 -4.233 7.043 1.00 0.00 N ATOM 779 CA ASP A 50 -2.528 -3.504 6.838 1.00 0.00 C ATOM 780 C ASP A 50 -2.841 -2.177 6.203 1.00 0.00 C ATOM 781 O ASP A 50 -2.367 -1.145 6.646 1.00 0.00 O ATOM 782 CB ASP A 50 -1.513 -4.258 5.945 1.00 0.00 C ATOM 783 CG ASP A 50 -0.848 -5.446 6.605 1.00 0.00 C ATOM 784 OD1 ASP A 50 0.125 -5.260 7.372 1.00 0.00 O ATOM 785 OD2 ASP A 50 -1.267 -6.584 6.362 1.00 0.00 O ATOM 0 H ASP A 50 -3.880 -5.103 6.518 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.061 -3.392 7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.025 -4.599 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.741 -3.558 5.626 1.00 0.00 H new ATOM 790 N LEU A 51 -3.718 -2.221 5.204 1.00 0.00 N ATOM 791 CA LEU A 51 -4.197 -1.038 4.472 1.00 0.00 C ATOM 792 C LEU A 51 -4.748 -0.002 5.480 1.00 0.00 C ATOM 793 O LEU A 51 -4.434 1.191 5.413 1.00 0.00 O ATOM 794 CB LEU A 51 -5.303 -1.509 3.475 1.00 0.00 C ATOM 795 CG LEU A 51 -5.810 -0.553 2.359 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.515 0.688 2.892 1.00 0.00 C ATOM 797 CD2 LEU A 51 -4.685 -0.185 1.410 1.00 0.00 C ATOM 0 H LEU A 51 -4.127 -3.093 4.869 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.390 -0.562 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.934 -2.410 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.169 -1.801 4.068 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.568 -1.107 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.841 1.308 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.381 0.389 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.828 1.256 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.065 0.484 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.890 0.314 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.291 -1.089 0.945 1.00 0.00 H new ATOM 809 N ARG A 52 -5.522 -0.489 6.436 1.00 0.00 N ATOM 810 CA ARG A 52 -6.132 0.352 7.465 1.00 0.00 C ATOM 811 C ARG A 52 -5.067 0.962 8.380 1.00 0.00 C ATOM 812 O ARG A 52 -5.203 2.102 8.837 1.00 0.00 O ATOM 813 CB ARG A 52 -7.098 -0.464 8.309 1.00 0.00 C ATOM 814 CG ARG A 52 -8.200 -1.147 7.527 1.00 0.00 C ATOM 815 CD ARG A 52 -9.087 -1.952 8.452 1.00 0.00 C ATOM 816 NE ARG A 52 -9.781 -1.094 9.404 1.00 0.00 N ATOM 817 CZ ARG A 52 -9.670 -1.156 10.738 1.00 0.00 C ATOM 818 NH1 ARG A 52 -8.813 -2.021 11.322 1.00 0.00 N ATOM 819 NH2 ARG A 52 -10.396 -0.334 11.483 1.00 0.00 N ATOM 0 H ARG A 52 -5.748 -1.480 6.525 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.669 1.155 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.534 -1.222 8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.551 0.191 9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.796 -0.402 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.766 -1.801 6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.816 -2.510 7.865 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.485 -2.683 8.991 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.406 -0.384 9.021 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.240 -2.638 10.746 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.739 -2.057 12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.027 0.333 11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.323 -0.369 12.500 1.00 0.00 H new ATOM 833 N THR A 53 -4.024 0.200 8.633 1.00 0.00 N ATOM 834 CA THR A 53 -2.931 0.620 9.479 1.00 0.00 C ATOM 835 C THR A 53 -2.127 1.744 8.788 1.00 0.00 C ATOM 836 O THR A 53 -1.745 2.724 9.426 1.00 0.00 O ATOM 837 CB THR A 53 -2.025 -0.593 9.813 1.00 0.00 C ATOM 838 OG1 THR A 53 -2.851 -1.658 10.352 1.00 0.00 O ATOM 839 CG2 THR A 53 -0.957 -0.220 10.836 1.00 0.00 C ATOM 0 H THR A 53 -3.912 -0.739 8.252 1.00 0.00 H new ATOM 0 HA THR A 53 -3.329 1.015 10.414 1.00 0.00 H new ATOM 0 HB THR A 53 -1.525 -0.917 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.389 -2.051 9.633 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.338 -1.091 11.050 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.333 0.579 10.436 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.436 0.119 11.755 1.00 0.00 H new ATOM 847 N LEU A 54 -1.932 1.605 7.472 1.00 0.00 N ATOM 848 CA LEU A 54 -1.248 2.615 6.644 1.00 0.00 C ATOM 849 C LEU A 54 -1.886 3.981 6.802 1.00 0.00 C ATOM 850 O LEU A 54 -1.192 4.990 6.959 1.00 0.00 O ATOM 851 CB LEU A 54 -1.279 2.211 5.166 1.00 0.00 C ATOM 852 CG LEU A 54 -0.128 1.346 4.637 1.00 0.00 C ATOM 853 CD1 LEU A 54 0.110 0.128 5.484 1.00 0.00 C ATOM 854 CD2 LEU A 54 -0.412 0.932 3.213 1.00 0.00 C ATOM 0 H LEU A 54 -2.243 0.788 6.946 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.214 2.669 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.211 1.676 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.314 3.123 4.570 1.00 0.00 H new ATOM 0 HG LEU A 54 0.778 1.951 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.935 -0.450 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.359 0.434 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.791 -0.485 5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.409 0.318 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.339 0.359 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.511 1.820 2.589 1.00 0.00 H new ATOM 866 N ALA A 55 -3.206 3.999 6.799 1.00 0.00 N ATOM 867 CA ALA A 55 -3.968 5.228 6.943 1.00 0.00 C ATOM 868 C ALA A 55 -3.631 5.930 8.261 1.00 0.00 C ATOM 869 O ALA A 55 -3.508 7.145 8.310 1.00 0.00 O ATOM 870 CB ALA A 55 -5.451 4.930 6.860 1.00 0.00 C ATOM 0 H ALA A 55 -3.781 3.163 6.697 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.698 5.900 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -6.015 5.856 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.678 4.478 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.729 4.240 7.657 1.00 0.00 H new ATOM 876 N VAL A 56 -3.409 5.149 9.296 1.00 0.00 N ATOM 877 CA VAL A 56 -3.085 5.687 10.607 1.00 0.00 C ATOM 878 C VAL A 56 -1.687 6.296 10.573 1.00 0.00 C ATOM 879 O VAL A 56 -1.462 7.402 11.076 1.00 0.00 O ATOM 880 CB VAL A 56 -3.141 4.588 11.708 1.00 0.00 C ATOM 881 CG1 VAL A 56 -2.830 5.163 13.086 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.496 3.904 11.718 1.00 0.00 C ATOM 0 H VAL A 56 -3.447 4.130 9.258 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.825 6.449 10.851 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.377 3.848 11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.878 4.369 13.831 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.830 5.597 13.082 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.560 5.935 13.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.512 3.140 12.495 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.274 4.641 11.917 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.676 3.439 10.749 1.00 0.00 H new ATOM 892 N ILE A 57 -0.774 5.595 9.927 1.00 0.00 N ATOM 893 CA ILE A 57 0.622 6.009 9.847 1.00 0.00 C ATOM 894 C ILE A 57 0.759 7.351 9.132 1.00 0.00 C ATOM 895 O ILE A 57 1.390 8.266 9.643 1.00 0.00 O ATOM 896 CB ILE A 57 1.512 4.962 9.109 1.00 0.00 C ATOM 897 CG1 ILE A 57 1.318 3.571 9.715 1.00 0.00 C ATOM 898 CG2 ILE A 57 2.990 5.372 9.181 1.00 0.00 C ATOM 899 CD1 ILE A 57 2.127 2.475 9.043 1.00 0.00 C ATOM 0 H ILE A 57 -0.976 4.721 9.441 1.00 0.00 H new ATOM 0 HA ILE A 57 0.967 6.097 10.877 1.00 0.00 H new ATOM 0 HB ILE A 57 1.209 4.929 8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.586 3.608 10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.261 3.310 9.663 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.599 4.632 8.662 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.121 6.345 8.708 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.301 5.430 10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.929 1.523 9.535 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.844 2.406 7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.189 2.709 9.118 1.00 0.00 H new ATOM 911 N TYR A 58 0.115 7.488 7.987 1.00 0.00 N ATOM 912 CA TYR A 58 0.298 8.689 7.164 1.00 0.00 C ATOM 913 C TYR A 58 -0.722 9.765 7.519 1.00 0.00 C ATOM 914 O TYR A 58 -0.755 10.833 6.891 1.00 0.00 O ATOM 915 CB TYR A 58 0.196 8.343 5.669 1.00 0.00 C ATOM 916 CG TYR A 58 0.915 7.064 5.282 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.189 6.764 5.755 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.288 6.132 4.484 1.00 0.00 C ATOM 919 CE1 TYR A 58 2.799 5.574 5.431 1.00 0.00 C ATOM 920 CE2 TYR A 58 0.890 4.940 4.167 1.00 0.00 C ATOM 921 CZ TYR A 58 2.142 4.669 4.644 1.00 0.00 C ATOM 922 OH TYR A 58 2.738 3.481 4.337 1.00 0.00 O ATOM 0 H TYR A 58 -0.532 6.799 7.603 1.00 0.00 H new ATOM 0 HA TYR A 58 1.294 9.080 7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.856 8.253 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.605 9.168 5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.705 7.474 6.384 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.699 6.344 4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.792 5.356 5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.378 4.221 3.545 1.00 0.00 H new ATOM 0 HH TYR A 58 2.783 2.921 5.140 1.00 0.00 H new ATOM 932 N ASP A 59 -1.531 9.481 8.537 1.00 0.00 N ATOM 933 CA ASP A 59 -2.603 10.360 8.996 1.00 0.00 C ATOM 934 C ASP A 59 -3.570 10.655 7.874 1.00 0.00 C ATOM 935 O ASP A 59 -3.684 11.789 7.401 1.00 0.00 O ATOM 936 CB ASP A 59 -2.096 11.661 9.645 1.00 0.00 C ATOM 937 CG ASP A 59 -1.394 11.455 10.960 1.00 0.00 C ATOM 938 OD1 ASP A 59 -2.072 11.437 12.017 1.00 0.00 O ATOM 939 OD2 ASP A 59 -0.154 11.312 10.984 1.00 0.00 O ATOM 0 H ASP A 59 -1.458 8.618 9.076 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.127 9.817 9.783 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.414 12.158 8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.941 12.333 9.797 1.00 0.00 H new ATOM 944 N GLN A 60 -4.192 9.615 7.405 1.00 0.00 N ATOM 945 CA GLN A 60 -5.138 9.655 6.314 1.00 0.00 C ATOM 946 C GLN A 60 -6.336 8.803 6.681 1.00 0.00 C ATOM 947 O GLN A 60 -6.313 8.092 7.684 1.00 0.00 O ATOM 948 CB GLN A 60 -4.497 9.070 5.039 1.00 0.00 C ATOM 949 CG GLN A 60 -3.330 9.866 4.468 1.00 0.00 C ATOM 950 CD GLN A 60 -3.756 11.199 3.884 1.00 0.00 C ATOM 951 OE1 GLN A 60 -4.076 11.291 2.710 1.00 0.00 O ATOM 952 NE2 GLN A 60 -3.778 12.221 4.684 1.00 0.00 N ATOM 0 H GLN A 60 -4.054 8.677 7.781 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.436 10.688 6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.153 8.059 5.257 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.267 8.986 4.272 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.594 10.038 5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.838 9.276 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.504 12.110 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.069 13.135 4.336 1.00 0.00 H new ATOM 961 N SER A 61 -7.359 8.873 5.888 1.00 0.00 N ATOM 962 CA SER A 61 -8.516 8.043 6.071 1.00 0.00 C ATOM 963 C SER A 61 -8.327 6.770 5.232 1.00 0.00 C ATOM 964 O SER A 61 -7.736 6.841 4.140 1.00 0.00 O ATOM 965 CB SER A 61 -9.746 8.806 5.599 1.00 0.00 C ATOM 966 OG SER A 61 -9.767 10.100 6.178 1.00 0.00 O ATOM 0 H SER A 61 -7.419 9.508 5.092 1.00 0.00 H new ATOM 0 HA SER A 61 -8.645 7.776 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.740 8.885 4.512 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.649 8.261 5.874 1.00 0.00 H new ATOM 0 HG SER A 61 -10.560 10.584 5.868 1.00 0.00 H new ATOM 972 N PRO A 62 -8.797 5.594 5.715 1.00 0.00 N ATOM 973 CA PRO A 62 -8.669 4.318 4.982 1.00 0.00 C ATOM 974 C PRO A 62 -9.186 4.421 3.547 1.00 0.00 C ATOM 975 O PRO A 62 -8.586 3.863 2.618 1.00 0.00 O ATOM 976 CB PRO A 62 -9.533 3.355 5.800 1.00 0.00 C ATOM 977 CG PRO A 62 -9.480 3.902 7.181 1.00 0.00 C ATOM 978 CD PRO A 62 -9.459 5.399 7.028 1.00 0.00 C ATOM 0 HA PRO A 62 -7.631 4.001 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -10.556 3.320 5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.144 2.338 5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.344 3.580 7.762 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.593 3.550 7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.465 5.819 7.039 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.904 5.879 7.834 1.00 0.00 H new ATOM 986 N SER A 63 -10.270 5.163 3.377 1.00 0.00 N ATOM 987 CA SER A 63 -10.877 5.391 2.093 1.00 0.00 C ATOM 988 C SER A 63 -9.888 6.037 1.102 1.00 0.00 C ATOM 989 O SER A 63 -9.569 5.443 0.071 1.00 0.00 O ATOM 990 CB SER A 63 -12.071 6.292 2.295 1.00 0.00 C ATOM 991 OG SER A 63 -12.851 5.844 3.390 1.00 0.00 O ATOM 0 H SER A 63 -10.753 5.627 4.146 1.00 0.00 H new ATOM 0 HA SER A 63 -11.181 4.435 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.737 7.314 2.473 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.679 6.308 1.390 1.00 0.00 H new ATOM 0 HG SER A 63 -13.620 6.439 3.509 1.00 0.00 H new ATOM 997 N VAL A 64 -9.334 7.201 1.466 1.00 0.00 N ATOM 998 CA VAL A 64 -8.436 7.926 0.567 1.00 0.00 C ATOM 999 C VAL A 64 -7.123 7.165 0.383 1.00 0.00 C ATOM 1000 O VAL A 64 -6.478 7.254 -0.664 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.176 9.403 1.029 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -7.396 9.479 2.331 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.499 10.221 -0.067 1.00 0.00 C ATOM 0 H VAL A 64 -9.491 7.654 2.366 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.939 7.990 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.155 9.842 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.244 10.523 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.955 8.975 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.429 8.993 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -7.334 11.238 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.542 9.766 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.137 10.244 -0.951 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.765 6.380 1.386 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.567 5.573 1.334 1.00 0.00 C ATOM 1015 C LEU A 65 -5.750 4.503 0.237 1.00 0.00 C ATOM 1016 O LEU A 65 -4.843 4.250 -0.559 1.00 0.00 O ATOM 1017 CB LEU A 65 -5.304 4.953 2.737 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.889 4.399 3.054 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.547 3.167 2.249 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.836 5.472 2.850 1.00 0.00 C ATOM 0 H LEU A 65 -7.296 6.288 2.252 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.693 6.172 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.536 5.713 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.016 4.140 2.878 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.900 4.100 4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.546 2.826 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.268 2.379 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.579 3.406 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.851 5.063 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.858 5.811 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.041 6.314 3.512 1.00 0.00 H new ATOM 1032 N THR A 66 -6.954 3.938 0.166 1.00 0.00 N ATOM 1033 CA THR A 66 -7.272 2.956 -0.857 1.00 0.00 C ATOM 1034 C THR A 66 -7.277 3.655 -2.231 1.00 0.00 C ATOM 1035 O THR A 66 -6.687 3.155 -3.207 1.00 0.00 O ATOM 1036 CB THR A 66 -8.669 2.307 -0.616 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.793 1.854 0.752 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.866 1.110 -1.534 1.00 0.00 C ATOM 0 H THR A 66 -7.721 4.146 0.806 1.00 0.00 H new ATOM 0 HA THR A 66 -6.520 2.168 -0.821 1.00 0.00 H new ATOM 0 HB THR A 66 -9.424 3.065 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.868 2.629 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.846 0.669 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.801 1.434 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.092 0.368 -1.336 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.889 4.852 -2.259 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.026 5.661 -3.469 1.00 0.00 C ATOM 1048 C GLU A 67 -6.677 5.933 -4.100 1.00 0.00 C ATOM 1049 O GLU A 67 -6.485 5.682 -5.295 1.00 0.00 O ATOM 1050 CB GLU A 67 -8.717 6.997 -3.166 1.00 0.00 C ATOM 1051 CG GLU A 67 -10.150 6.881 -2.684 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.767 8.229 -2.380 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.056 8.987 -3.326 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -10.992 8.550 -1.200 1.00 0.00 O ATOM 0 H GLU A 67 -8.304 5.283 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.639 5.091 -4.167 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.137 7.526 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.701 7.610 -4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.746 6.375 -3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.180 6.260 -1.789 1.00 0.00 H new ATOM 1061 N GLN A 68 -5.747 6.428 -3.293 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.406 6.737 -3.738 1.00 0.00 C ATOM 1063 C GLN A 68 -3.730 5.518 -4.337 1.00 0.00 C ATOM 1064 O GLN A 68 -3.306 5.547 -5.487 1.00 0.00 O ATOM 1065 CB GLN A 68 -3.575 7.274 -2.579 1.00 0.00 C ATOM 1066 CG GLN A 68 -3.939 8.682 -2.124 1.00 0.00 C ATOM 1067 CD GLN A 68 -3.674 9.760 -3.178 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -2.770 9.648 -4.014 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -4.438 10.812 -3.130 1.00 0.00 N ATOM 0 H GLN A 68 -5.909 6.625 -2.306 1.00 0.00 H new ATOM 0 HA GLN A 68 -4.479 7.501 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.680 6.596 -1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.524 7.262 -2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.994 8.704 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.373 8.921 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.176 10.875 -2.428 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.299 11.574 -3.794 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.707 4.428 -3.594 1.00 0.00 N ATOM 1079 CA LEU A 69 -3.007 3.228 -4.034 1.00 0.00 C ATOM 1080 C LEU A 69 -3.573 2.666 -5.342 1.00 0.00 C ATOM 1081 O LEU A 69 -2.812 2.261 -6.246 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.973 2.158 -2.943 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.358 2.572 -1.597 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -2.124 1.373 -0.732 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -1.069 3.333 -1.773 1.00 0.00 C ATOM 0 H LEU A 69 -4.162 4.345 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.979 3.530 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.994 1.822 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.417 1.301 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.074 3.235 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.688 1.688 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.072 0.868 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.441 0.689 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.671 3.605 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.347 2.708 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.256 4.237 -2.353 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.880 2.670 -5.470 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.521 2.209 -6.692 1.00 0.00 C ATOM 1099 C ILE A 70 -5.195 3.151 -7.856 1.00 0.00 C ATOM 1100 O ILE A 70 -4.891 2.700 -8.961 1.00 0.00 O ATOM 1101 CB ILE A 70 -7.059 2.055 -6.515 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.349 0.944 -5.497 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.749 1.753 -7.852 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.817 0.782 -5.158 1.00 0.00 C ATOM 0 H ILE A 70 -5.525 2.986 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.123 1.221 -6.922 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.461 2.999 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.971 -0.000 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.797 1.153 -4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.822 1.651 -7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.561 2.568 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.354 0.824 -8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.936 -0.023 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.197 1.712 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.375 0.541 -6.063 1.00 0.00 H new ATOM 1116 N SER A 71 -5.176 4.441 -7.581 1.00 0.00 N ATOM 1117 CA SER A 71 -4.904 5.440 -8.600 1.00 0.00 C ATOM 1118 C SER A 71 -3.445 5.384 -9.086 1.00 0.00 C ATOM 1119 O SER A 71 -3.173 5.610 -10.270 1.00 0.00 O ATOM 1120 CB SER A 71 -5.262 6.832 -8.083 1.00 0.00 C ATOM 1121 OG SER A 71 -6.633 6.872 -7.675 1.00 0.00 O ATOM 0 H SER A 71 -5.347 4.826 -6.652 1.00 0.00 H new ATOM 0 HA SER A 71 -5.531 5.217 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.618 7.092 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.085 7.573 -8.862 1.00 0.00 H new ATOM 0 HG SER A 71 -6.706 6.573 -6.745 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.509 5.050 -8.190 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.098 4.957 -8.591 1.00 0.00 C ATOM 1129 C TRP A 72 -0.866 3.666 -9.365 1.00 0.00 C ATOM 1130 O TRP A 72 0.136 3.508 -10.059 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.160 4.928 -7.383 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.306 6.031 -6.384 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -0.913 7.249 -6.540 1.00 0.00 C ATOM 1134 CD2 TRP A 72 0.208 6.008 -5.056 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -0.839 7.956 -5.367 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.143 7.217 -4.445 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.928 5.065 -4.324 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 0.204 7.509 -3.127 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 1.278 5.359 -3.024 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.913 6.572 -2.436 1.00 0.00 C ATOM 0 H TRP A 72 -2.693 4.844 -7.208 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.885 5.837 -9.198 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.304 3.980 -6.865 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.866 4.937 -7.750 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.379 7.600 -7.449 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.237 8.881 -5.206 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.207 4.121 -4.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.079 8.445 -2.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.844 4.640 -2.451 1.00 0.00 H new ATOM 0 HH2 TRP A 72 1.198 6.772 -1.414 1.00 0.00 H new ATOM 1151 N GLY A 73 -1.796 2.746 -9.227 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.700 1.478 -9.908 1.00 0.00 C ATOM 1153 C GLY A 73 -0.942 0.462 -9.096 1.00 0.00 C ATOM 1154 O GLY A 73 -0.662 -0.638 -9.567 1.00 0.00 O ATOM 0 H GLY A 73 -2.628 2.855 -8.647 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.701 1.102 -10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.204 1.618 -10.869 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.623 0.820 -7.863 1.00 0.00 N ATOM 1159 CA VAL A 74 0.128 -0.068 -6.985 1.00 0.00 C ATOM 1160 C VAL A 74 -0.818 -1.096 -6.358 1.00 0.00 C ATOM 1161 O VAL A 74 -0.392 -2.133 -5.873 1.00 0.00 O ATOM 1162 CB VAL A 74 0.890 0.703 -5.853 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.839 1.733 -6.408 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -0.059 1.371 -4.930 1.00 0.00 C ATOM 0 H VAL A 74 -0.871 1.717 -7.446 1.00 0.00 H new ATOM 0 HA VAL A 74 0.878 -0.567 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 74 1.467 -0.044 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.344 2.242 -5.587 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.578 1.243 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.282 2.461 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.497 1.898 -4.155 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.668 2.083 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.705 0.624 -4.469 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.097 -0.785 -6.375 1.00 0.00 N ATOM 1175 CA LEU A 75 -3.104 -1.655 -5.847 1.00 0.00 C ATOM 1176 C LEU A 75 -4.193 -1.810 -6.897 1.00 0.00 C ATOM 1177 O LEU A 75 -4.452 -0.869 -7.671 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.663 -1.062 -4.546 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.700 -1.890 -3.786 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -4.122 -3.239 -3.371 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.187 -1.123 -2.565 1.00 0.00 C ATOM 0 H LEU A 75 -2.461 0.087 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.690 -2.636 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.825 -0.872 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.109 -0.095 -4.780 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.546 -2.075 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.879 -3.809 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.815 -3.792 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.258 -3.082 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.925 -1.721 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.344 -0.914 -1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.641 -0.184 -2.882 1.00 0.00 H new ATOM 1193 N ASP A 76 -4.793 -2.980 -6.955 1.00 0.00 N ATOM 1194 CA ASP A 76 -5.835 -3.268 -7.934 1.00 0.00 C ATOM 1195 C ASP A 76 -7.141 -2.642 -7.490 1.00 0.00 C ATOM 1196 O ASP A 76 -7.384 -2.480 -6.284 1.00 0.00 O ATOM 1197 CB ASP A 76 -6.024 -4.786 -8.113 1.00 0.00 C ATOM 1198 CG ASP A 76 -6.941 -5.140 -9.282 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -8.187 -5.091 -9.147 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -6.426 -5.450 -10.376 1.00 0.00 O ATOM 0 H ASP A 76 -4.578 -3.758 -6.331 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.530 -2.845 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.051 -5.252 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.436 -5.206 -7.195 1.00 0.00 H new ATOM 1205 N ALA A 77 -7.973 -2.299 -8.450 1.00 0.00 N ATOM 1206 CA ALA A 77 -9.247 -1.671 -8.201 1.00 0.00 C ATOM 1207 C ALA A 77 -10.169 -2.522 -7.343 1.00 0.00 C ATOM 1208 O ALA A 77 -10.922 -1.985 -6.572 1.00 0.00 O ATOM 1209 CB ALA A 77 -9.933 -1.324 -9.501 1.00 0.00 C ATOM 0 H ALA A 77 -7.778 -2.452 -9.439 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.036 -0.759 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.892 -0.851 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.307 -0.637 -10.071 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.095 -2.233 -10.081 1.00 0.00 H new ATOM 1215 N ASP A 78 -10.075 -3.850 -7.440 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.983 -4.765 -6.690 1.00 0.00 C ATOM 1217 C ASP A 78 -10.917 -4.533 -5.171 1.00 0.00 C ATOM 1218 O ASP A 78 -11.867 -4.842 -4.435 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.751 -6.265 -7.032 1.00 0.00 C ATOM 1220 CG ASP A 78 -9.693 -6.994 -6.201 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -8.490 -6.894 -6.506 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -10.073 -7.743 -5.253 1.00 0.00 O ATOM 0 H ASP A 78 -9.388 -4.328 -8.023 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.990 -4.514 -7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.698 -6.792 -6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.470 -6.337 -8.083 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.828 -3.922 -4.722 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.633 -3.597 -3.319 1.00 0.00 C ATOM 1229 C ALA A 79 -10.679 -2.589 -2.807 1.00 0.00 C ATOM 1230 O ALA A 79 -11.065 -2.646 -1.640 1.00 0.00 O ATOM 1231 CB ALA A 79 -8.237 -3.062 -3.092 1.00 0.00 C ATOM 0 H ALA A 79 -9.055 -3.638 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.762 -4.519 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.106 -2.823 -2.037 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.506 -3.815 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.091 -2.162 -3.689 1.00 0.00 H new ATOM 1237 N ARG A 80 -11.175 -1.710 -3.701 1.00 0.00 N ATOM 1238 CA ARG A 80 -12.170 -0.665 -3.330 1.00 0.00 C ATOM 1239 C ARG A 80 -13.447 -1.323 -2.803 1.00 0.00 C ATOM 1240 O ARG A 80 -14.093 -0.836 -1.869 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.490 0.256 -4.553 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.211 -0.442 -5.712 1.00 0.00 C ATOM 1243 CD ARG A 80 -13.080 0.306 -7.041 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.801 1.586 -7.080 1.00 0.00 N ATOM 1245 CZ ARG A 80 -14.279 2.174 -8.193 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -14.231 1.552 -9.366 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.822 3.375 -8.129 1.00 0.00 N ATOM 0 H ARG A 80 -10.908 -1.697 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.744 -0.043 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.103 1.090 -4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.557 0.679 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -12.809 -1.449 -5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.267 -0.547 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.024 0.489 -7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.450 -0.332 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 80 -13.951 2.067 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.828 0.617 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -14.597 2.009 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.881 3.861 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -15.183 3.817 -8.974 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.762 -2.457 -3.380 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.933 -3.205 -3.036 1.00 0.00 C ATOM 1263 C ARG A 81 -14.652 -4.087 -1.826 1.00 0.00 C ATOM 1264 O ARG A 81 -15.461 -4.169 -0.896 1.00 0.00 O ATOM 1265 CB ARG A 81 -15.334 -4.047 -4.239 1.00 0.00 C ATOM 1266 CG ARG A 81 -16.571 -4.897 -4.060 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.841 -5.656 -5.332 1.00 0.00 C ATOM 1268 NE ARG A 81 -18.006 -6.524 -5.250 1.00 0.00 N ATOM 1269 CZ ARG A 81 -18.322 -7.438 -6.176 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -17.556 -7.584 -7.256 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -19.401 -8.200 -6.031 1.00 0.00 N ATOM 0 H ARG A 81 -13.199 -2.888 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.749 -2.532 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -15.492 -3.382 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.500 -4.700 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -16.433 -5.591 -3.231 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.425 -4.268 -3.810 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.982 -4.946 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.966 -6.257 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.618 -6.431 -4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.729 -7.000 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.797 -8.280 -7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.996 -8.091 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.635 -8.894 -6.741 1.00 0.00 H new