USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 646 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 14 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.012) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 31 GLN : amide:sc= -0.895 K(o=-0.89,f=-0.16) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0194 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.884 K(o=-0.88,f=-8!) USER MOD Single : A 55 THR OG1 : rot -51:sc= 1.15 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -55:sc= 0.578 USER MOD Single : A 70 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.45) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00114 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -15.3! C(o=-15!,f=-18!) USER MOD Single : A 79 THR OG1 : rot 83:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.989 -0.447 -0.273 1.00 0.00 N ATOM 100 CA GLY A 10 14.627 -0.447 1.031 1.00 0.00 C ATOM 101 C GLY A 10 14.311 0.801 1.831 1.00 0.00 C ATOM 102 O GLY A 10 13.995 0.722 3.019 1.00 0.00 O ATOM 0 HA2 GLY A 10 14.304 -1.325 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.706 -0.530 0.904 1.00 0.00 H new ATOM 106 N LEU A 11 14.397 1.956 1.181 1.00 0.00 N ATOM 107 CA LEU A 11 14.119 3.227 1.841 1.00 0.00 C ATOM 108 C LEU A 11 12.632 3.367 2.149 1.00 0.00 C ATOM 109 O LEU A 11 12.211 4.312 2.819 1.00 0.00 O ATOM 110 CB LEU A 11 14.580 4.392 0.963 1.00 0.00 C ATOM 111 CG LEU A 11 13.611 4.829 -0.136 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.149 3.629 -0.948 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.419 5.561 0.464 1.00 0.00 C ATOM 0 H LEU A 11 14.657 2.039 0.198 1.00 0.00 H new ATOM 0 HA LEU A 11 14.670 3.247 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.779 5.249 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.526 4.117 0.497 1.00 0.00 H new ATOM 0 HG LEU A 11 14.134 5.514 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.460 3.959 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.012 3.147 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.644 2.919 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.740 5.865 -0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.896 4.899 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.767 6.444 1.001 1.00 0.00 H new ATOM 125 N LEU A 12 11.840 2.420 1.659 1.00 0.00 N ATOM 126 CA LEU A 12 10.398 2.435 1.885 1.00 0.00 C ATOM 127 C LEU A 12 10.079 2.720 3.349 1.00 0.00 C ATOM 128 O LEU A 12 9.409 3.702 3.670 1.00 0.00 O ATOM 129 CB LEU A 12 9.783 1.098 1.467 1.00 0.00 C ATOM 130 CG LEU A 12 9.320 0.997 0.013 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.074 1.839 -0.210 1.00 0.00 C ATOM 132 CD2 LEU A 12 10.433 1.428 -0.931 1.00 0.00 C ATOM 0 H LEU A 12 12.171 1.632 1.103 1.00 0.00 H new ATOM 0 HA LEU A 12 9.968 3.231 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.515 0.311 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.929 0.896 2.114 1.00 0.00 H new ATOM 0 HG LEU A 12 9.073 -0.043 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.759 1.755 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.274 1.485 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.294 2.882 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.087 1.350 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.711 2.460 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.300 0.783 -0.790 1.00 0.00 H new ATOM 144 N VAL A 13 10.565 1.855 4.234 1.00 0.00 N ATOM 145 CA VAL A 13 10.334 2.015 5.665 1.00 0.00 C ATOM 146 C VAL A 13 10.985 3.291 6.187 1.00 0.00 C ATOM 147 O VAL A 13 10.367 4.060 6.924 1.00 0.00 O ATOM 148 CB VAL A 13 10.878 0.812 6.459 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.238 -0.480 5.975 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.393 0.741 6.346 1.00 0.00 C ATOM 0 H VAL A 13 11.121 1.037 3.985 1.00 0.00 H new ATOM 0 HA VAL A 13 9.255 2.077 5.807 1.00 0.00 H new ATOM 0 HB VAL A 13 10.621 0.945 7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.634 -1.319 6.547 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.158 -0.425 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.462 -0.623 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.760 -0.114 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.675 0.631 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.831 1.656 6.745 1.00 0.00 H new ATOM 160 N HIS A 14 12.238 3.511 5.800 1.00 0.00 N ATOM 161 CA HIS A 14 12.973 4.695 6.229 1.00 0.00 C ATOM 162 C HIS A 14 12.155 5.960 5.986 1.00 0.00 C ATOM 163 O HIS A 14 12.266 6.936 6.729 1.00 0.00 O ATOM 164 CB HIS A 14 14.308 4.788 5.489 1.00 0.00 C ATOM 165 CG HIS A 14 15.335 3.814 5.981 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.894 3.882 7.240 1.00 0.00 N ATOM 167 CD2 HIS A 14 15.901 2.744 5.376 1.00 0.00 C ATOM 168 CE1 HIS A 14 16.761 2.896 7.387 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.784 2.191 6.271 1.00 0.00 N ATOM 0 H HIS A 14 12.765 2.885 5.191 1.00 0.00 H new ATOM 0 HA HIS A 14 13.164 4.606 7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.137 4.618 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.701 5.800 5.591 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.697 2.391 4.376 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.351 2.700 8.270 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.363 1.369 6.101 1.00 0.00 H new ATOM 178 N LYS A 15 11.335 5.937 4.942 1.00 0.00 N ATOM 179 CA LYS A 15 10.497 7.081 4.601 1.00 0.00 C ATOM 180 C LYS A 15 9.055 6.850 5.042 1.00 0.00 C ATOM 181 O LYS A 15 8.432 5.859 4.665 1.00 0.00 O ATOM 182 CB LYS A 15 10.544 7.342 3.093 1.00 0.00 C ATOM 183 CG LYS A 15 9.501 8.337 2.616 1.00 0.00 C ATOM 184 CD LYS A 15 9.329 8.283 1.107 1.00 0.00 C ATOM 185 CE LYS A 15 8.766 9.588 0.564 1.00 0.00 C ATOM 186 NZ LYS A 15 9.842 10.564 0.239 1.00 0.00 N ATOM 0 H LYS A 15 11.232 5.138 4.316 1.00 0.00 H new ATOM 0 HA LYS A 15 10.884 7.953 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.535 7.711 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.403 6.399 2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.547 8.126 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.794 9.344 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.291 8.077 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.663 7.461 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.178 9.385 -0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.089 10.025 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.417 11.440 -0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.388 10.778 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 10.473 10.158 -0.481 1.00 0.00 H new ATOM 200 N ALA A 16 8.532 7.773 5.843 1.00 0.00 N ATOM 201 CA ALA A 16 7.163 7.671 6.333 1.00 0.00 C ATOM 202 C ALA A 16 6.203 7.304 5.207 1.00 0.00 C ATOM 203 O ALA A 16 6.293 7.838 4.101 1.00 0.00 O ATOM 204 CB ALA A 16 6.738 8.978 6.986 1.00 0.00 C ATOM 0 H ALA A 16 9.035 8.599 6.166 1.00 0.00 H new ATOM 0 HA ALA A 16 7.128 6.876 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.714 8.888 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.400 9.199 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.795 9.785 6.256 1.00 0.00 H new ATOM 210 N VAL A 17 5.284 6.387 5.494 1.00 0.00 N ATOM 211 CA VAL A 17 4.306 5.948 4.505 1.00 0.00 C ATOM 212 C VAL A 17 3.329 7.068 4.165 1.00 0.00 C ATOM 213 O VAL A 17 2.727 7.074 3.091 1.00 0.00 O ATOM 214 CB VAL A 17 3.515 4.724 5.003 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.366 4.411 4.058 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.435 3.522 5.155 1.00 0.00 C ATOM 0 H VAL A 17 5.196 5.934 6.404 1.00 0.00 H new ATOM 0 HA VAL A 17 4.863 5.671 3.610 1.00 0.00 H new ATOM 0 HB VAL A 17 3.095 4.957 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.818 3.543 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.695 5.268 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.760 4.197 3.065 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.860 2.666 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.885 3.284 4.191 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.220 3.753 5.875 1.00 0.00 H new ATOM 226 N ASP A 18 3.176 8.012 5.086 1.00 0.00 N ATOM 227 CA ASP A 18 2.272 9.139 4.883 1.00 0.00 C ATOM 228 C ASP A 18 2.895 10.175 3.954 1.00 0.00 C ATOM 229 O ASP A 18 2.291 11.208 3.663 1.00 0.00 O ATOM 230 CB ASP A 18 1.919 9.785 6.224 1.00 0.00 C ATOM 231 CG ASP A 18 1.942 8.791 7.369 1.00 0.00 C ATOM 232 OD1 ASP A 18 2.976 8.114 7.546 1.00 0.00 O ATOM 233 OD2 ASP A 18 0.926 8.692 8.088 1.00 0.00 O ATOM 0 H ASP A 18 3.666 8.020 5.981 1.00 0.00 H new ATOM 0 HA ASP A 18 1.361 8.763 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.623 10.591 6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.929 10.236 6.158 1.00 0.00 H new ATOM 238 N LYS A 19 4.108 9.893 3.490 1.00 0.00 N ATOM 239 CA LYS A 19 4.815 10.800 2.593 1.00 0.00 C ATOM 240 C LYS A 19 5.029 10.157 1.227 1.00 0.00 C ATOM 241 O LYS A 19 5.558 10.786 0.311 1.00 0.00 O ATOM 242 CB LYS A 19 6.163 11.200 3.197 1.00 0.00 C ATOM 243 CG LYS A 19 6.088 12.417 4.102 1.00 0.00 C ATOM 244 CD LYS A 19 5.055 12.232 5.201 1.00 0.00 C ATOM 245 CE LYS A 19 5.170 13.316 6.262 1.00 0.00 C ATOM 246 NZ LYS A 19 4.556 14.597 5.814 1.00 0.00 N ATOM 0 H LYS A 19 4.622 9.043 3.721 1.00 0.00 H new ATOM 0 HA LYS A 19 4.203 11.692 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.561 10.359 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.868 11.401 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.066 12.601 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.837 13.297 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.055 12.250 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.185 11.254 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.684 12.981 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.221 13.481 6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.655 15.310 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.037 14.930 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.547 14.446 5.610 1.00 0.00 H new ATOM 260 N TRP A 20 4.614 8.902 1.098 1.00 0.00 N ATOM 261 CA TRP A 20 4.759 8.175 -0.158 1.00 0.00 C ATOM 262 C TRP A 20 3.922 8.817 -1.259 1.00 0.00 C ATOM 263 O TRP A 20 3.086 9.682 -0.994 1.00 0.00 O ATOM 264 CB TRP A 20 4.348 6.713 0.025 1.00 0.00 C ATOM 265 CG TRP A 20 5.253 5.952 0.945 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.282 6.459 1.687 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.212 4.548 1.220 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.882 5.454 2.406 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.244 4.272 2.138 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.402 3.496 0.782 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.486 2.990 2.622 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.644 2.224 1.263 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.679 1.979 2.176 1.00 0.00 C ATOM 0 H TRP A 20 4.175 8.367 1.847 1.00 0.00 H new ATOM 0 HA TRP A 20 5.807 8.216 -0.454 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.331 6.675 0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.335 6.222 -0.948 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.580 7.497 1.706 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.675 5.569 3.037 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.601 3.675 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.283 2.800 3.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.025 1.404 0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.843 0.973 2.534 1.00 0.00 H new ATOM 284 N THR A 21 4.152 8.390 -2.497 1.00 0.00 N ATOM 285 CA THR A 21 3.419 8.924 -3.638 1.00 0.00 C ATOM 286 C THR A 21 2.685 7.818 -4.387 1.00 0.00 C ATOM 287 O THR A 21 2.997 6.636 -4.234 1.00 0.00 O ATOM 288 CB THR A 21 4.359 9.654 -4.616 1.00 0.00 C ATOM 289 OG1 THR A 21 5.480 8.822 -4.933 1.00 0.00 O ATOM 290 CG2 THR A 21 4.847 10.966 -4.020 1.00 0.00 C ATOM 0 H THR A 21 4.840 7.676 -2.735 1.00 0.00 H new ATOM 0 HA THR A 21 2.693 9.635 -3.243 1.00 0.00 H new ATOM 0 HB THR A 21 3.801 9.872 -5.527 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.071 9.293 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.509 11.464 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.993 11.609 -3.808 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.389 10.766 -3.096 1.00 0.00 H new ATOM 298 N THR A 22 1.707 8.208 -5.199 1.00 0.00 N ATOM 299 CA THR A 22 0.928 7.249 -5.972 1.00 0.00 C ATOM 300 C THR A 22 1.824 6.179 -6.585 1.00 0.00 C ATOM 301 O THR A 22 1.369 5.078 -6.893 1.00 0.00 O ATOM 302 CB THR A 22 0.136 7.944 -7.095 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.346 9.214 -6.642 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.035 7.083 -7.545 1.00 0.00 C ATOM 0 H THR A 22 1.436 9.181 -5.338 1.00 0.00 H new ATOM 0 HA THR A 22 0.228 6.780 -5.280 1.00 0.00 H new ATOM 0 HB THR A 22 0.805 8.091 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.847 9.650 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.579 7.595 -8.339 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.663 6.129 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.703 6.908 -6.702 1.00 0.00 H new ATOM 312 N GLU A 23 3.100 6.510 -6.759 1.00 0.00 N ATOM 313 CA GLU A 23 4.059 5.575 -7.336 1.00 0.00 C ATOM 314 C GLU A 23 4.569 4.599 -6.280 1.00 0.00 C ATOM 315 O GLU A 23 4.380 3.389 -6.397 1.00 0.00 O ATOM 316 CB GLU A 23 5.235 6.334 -7.955 1.00 0.00 C ATOM 317 CG GLU A 23 5.867 5.618 -9.136 1.00 0.00 C ATOM 318 CD GLU A 23 6.558 6.570 -10.094 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.602 7.139 -9.714 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.054 6.744 -11.223 1.00 0.00 O ATOM 0 H GLU A 23 3.493 7.417 -6.509 1.00 0.00 H new ATOM 0 HA GLU A 23 3.551 5.007 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.892 7.317 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.995 6.496 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.590 4.889 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.098 5.062 -9.673 1.00 0.00 H new ATOM 327 N GLU A 24 5.218 5.134 -5.251 1.00 0.00 N ATOM 328 CA GLU A 24 5.757 4.310 -4.175 1.00 0.00 C ATOM 329 C GLU A 24 4.667 3.437 -3.561 1.00 0.00 C ATOM 330 O GLU A 24 4.898 2.271 -3.238 1.00 0.00 O ATOM 331 CB GLU A 24 6.389 5.191 -3.096 1.00 0.00 C ATOM 332 CG GLU A 24 7.664 5.884 -3.546 1.00 0.00 C ATOM 333 CD GLU A 24 8.487 5.035 -4.495 1.00 0.00 C ATOM 334 OE1 GLU A 24 9.209 4.137 -4.014 1.00 0.00 O ATOM 335 OE2 GLU A 24 8.407 5.269 -5.719 1.00 0.00 O ATOM 0 H GLU A 24 5.383 6.134 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 24 6.523 3.660 -4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.666 5.945 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.608 4.579 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.409 6.824 -4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.266 6.132 -2.672 1.00 0.00 H new ATOM 342 N VAL A 25 3.478 4.009 -3.401 1.00 0.00 N ATOM 343 CA VAL A 25 2.351 3.284 -2.826 1.00 0.00 C ATOM 344 C VAL A 25 2.121 1.962 -3.551 1.00 0.00 C ATOM 345 O VAL A 25 1.932 0.922 -2.921 1.00 0.00 O ATOM 346 CB VAL A 25 1.058 4.120 -2.882 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.114 3.328 -2.323 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.237 5.428 -2.128 1.00 0.00 C ATOM 0 H VAL A 25 3.270 4.973 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 25 2.601 3.085 -1.784 1.00 0.00 H new ATOM 0 HB VAL A 25 0.842 4.355 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.019 3.934 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.254 2.421 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.089 3.060 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.314 6.006 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.477 5.217 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.048 6.000 -2.579 1.00 0.00 H new ATOM 358 N VAL A 26 2.138 2.011 -4.879 1.00 0.00 N ATOM 359 CA VAL A 26 1.933 0.817 -5.690 1.00 0.00 C ATOM 360 C VAL A 26 3.176 -0.066 -5.693 1.00 0.00 C ATOM 361 O VAL A 26 3.080 -1.293 -5.746 1.00 0.00 O ATOM 362 CB VAL A 26 1.572 1.181 -7.143 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.429 -0.075 -7.989 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.296 2.008 -7.183 1.00 0.00 C ATOM 0 H VAL A 26 2.292 2.865 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 26 1.103 0.269 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 26 2.381 1.781 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.174 0.202 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.370 -0.625 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.640 -0.704 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.056 2.256 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.523 1.435 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.439 2.926 -6.613 1.00 0.00 H new ATOM 374 N LEU A 27 4.343 0.566 -5.637 1.00 0.00 N ATOM 375 CA LEU A 27 5.608 -0.162 -5.632 1.00 0.00 C ATOM 376 C LEU A 27 5.724 -1.044 -4.393 1.00 0.00 C ATOM 377 O LEU A 27 6.045 -2.228 -4.490 1.00 0.00 O ATOM 378 CB LEU A 27 6.782 0.816 -5.688 1.00 0.00 C ATOM 379 CG LEU A 27 7.281 1.186 -7.085 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.534 2.043 -6.995 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.548 -0.067 -7.906 1.00 0.00 C ATOM 0 H LEU A 27 4.440 1.580 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 27 5.634 -0.802 -6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.491 1.732 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.613 0.387 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 27 6.505 1.765 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.874 2.296 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.311 2.958 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.316 1.490 -6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.902 0.216 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.306 -0.673 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.627 -0.643 -8.001 1.00 0.00 H new ATOM 393 N TRP A 28 5.458 -0.459 -3.231 1.00 0.00 N ATOM 394 CA TRP A 28 5.531 -1.193 -1.972 1.00 0.00 C ATOM 395 C TRP A 28 4.530 -2.343 -1.954 1.00 0.00 C ATOM 396 O TRP A 28 4.828 -3.430 -1.458 1.00 0.00 O ATOM 397 CB TRP A 28 5.268 -0.253 -0.794 1.00 0.00 C ATOM 398 CG TRP A 28 4.805 -0.964 0.441 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.590 -1.569 1.381 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.451 -1.145 0.870 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.805 -2.115 2.368 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.490 -1.868 2.078 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.210 -0.765 0.351 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.335 -2.218 2.772 1.00 0.00 C ATOM 405 CZ3 TRP A 28 1.065 -1.113 1.042 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.133 -1.833 2.242 1.00 0.00 C ATOM 0 H TRP A 28 5.190 0.520 -3.134 1.00 0.00 H new ATOM 0 HA TRP A 28 6.535 -1.608 -1.879 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.181 0.298 -0.567 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.517 0.481 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.669 -1.612 1.353 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.147 -2.622 3.184 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.147 -0.210 -0.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.386 -2.774 3.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.101 -0.825 0.650 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.220 -2.089 2.759 1.00 0.00 H new ATOM 417 N LEU A 29 3.343 -2.097 -2.496 1.00 0.00 N ATOM 418 CA LEU A 29 2.298 -3.113 -2.542 1.00 0.00 C ATOM 419 C LEU A 29 2.596 -4.153 -3.618 1.00 0.00 C ATOM 420 O LEU A 29 2.132 -5.290 -3.541 1.00 0.00 O ATOM 421 CB LEU A 29 0.938 -2.464 -2.807 1.00 0.00 C ATOM 422 CG LEU A 29 -0.177 -3.404 -3.265 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.824 -4.086 -2.070 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.217 -2.643 -4.075 1.00 0.00 C ATOM 0 H LEU A 29 3.080 -1.203 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 29 2.272 -3.615 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.613 -1.964 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.068 -1.691 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 29 0.260 -4.172 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.615 -4.751 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.074 -4.664 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.248 -3.332 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.003 -3.328 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.650 -1.853 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.744 -2.202 -4.952 1.00 0.00 H new ATOM 436 N GLU A 30 3.374 -3.754 -4.620 1.00 0.00 N ATOM 437 CA GLU A 30 3.734 -4.652 -5.711 1.00 0.00 C ATOM 438 C GLU A 30 4.850 -5.602 -5.286 1.00 0.00 C ATOM 439 O GLU A 30 5.371 -6.365 -6.099 1.00 0.00 O ATOM 440 CB GLU A 30 4.172 -3.849 -6.938 1.00 0.00 C ATOM 441 CG GLU A 30 3.023 -3.468 -7.856 1.00 0.00 C ATOM 442 CD GLU A 30 3.493 -3.057 -9.239 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.913 -1.892 -9.400 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.440 -3.900 -10.158 1.00 0.00 O ATOM 0 H GLU A 30 3.766 -2.816 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 30 2.855 -5.243 -5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.678 -2.942 -6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.900 -4.432 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.339 -4.312 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.462 -2.648 -7.408 1.00 0.00 H new ATOM 451 N GLN A 31 5.212 -5.548 -4.009 1.00 0.00 N ATOM 452 CA GLN A 31 6.267 -6.402 -3.477 1.00 0.00 C ATOM 453 C GLN A 31 5.687 -7.486 -2.575 1.00 0.00 C ATOM 454 O GLN A 31 6.271 -8.559 -2.421 1.00 0.00 O ATOM 455 CB GLN A 31 7.286 -5.567 -2.700 1.00 0.00 C ATOM 456 CG GLN A 31 8.272 -4.828 -3.590 1.00 0.00 C ATOM 457 CD GLN A 31 9.114 -3.827 -2.823 1.00 0.00 C ATOM 458 OE1 GLN A 31 10.206 -4.148 -2.352 1.00 0.00 O ATOM 459 NE2 GLN A 31 8.610 -2.605 -2.692 1.00 0.00 N ATOM 0 H GLN A 31 4.790 -4.922 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 31 6.768 -6.883 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.755 -4.844 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.838 -6.220 -2.024 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.927 -5.550 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.726 -4.310 -4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.701 -2.382 -3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.132 -1.890 -2.185 1.00 0.00 H new ATOM 468 N LEU A 32 4.534 -7.199 -1.980 1.00 0.00 N ATOM 469 CA LEU A 32 3.873 -8.150 -1.092 1.00 0.00 C ATOM 470 C LEU A 32 3.475 -9.414 -1.847 1.00 0.00 C ATOM 471 O LEU A 32 3.370 -10.491 -1.262 1.00 0.00 O ATOM 472 CB LEU A 32 2.637 -7.511 -0.457 1.00 0.00 C ATOM 473 CG LEU A 32 2.774 -6.043 -0.052 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.592 -5.613 0.804 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.083 -5.814 0.690 1.00 0.00 C ATOM 0 H LEU A 32 4.037 -6.316 -2.096 1.00 0.00 H new ATOM 0 HA LEU A 32 4.577 -8.425 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.807 -7.598 -1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.368 -8.088 0.428 1.00 0.00 H new ATOM 0 HG LEU A 32 2.781 -5.436 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.707 -4.566 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.669 -5.739 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.553 -6.226 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.163 -4.764 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.105 -6.432 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.919 -6.082 0.044 1.00 0.00 H new ATOM 487 N GLY A 33 3.257 -9.275 -3.151 1.00 0.00 N ATOM 488 CA GLY A 33 2.875 -10.414 -3.965 1.00 0.00 C ATOM 489 C GLY A 33 2.572 -10.026 -5.399 1.00 0.00 C ATOM 490 O GLY A 33 2.365 -8.855 -5.717 1.00 0.00 O ATOM 0 H GLY A 33 3.338 -8.394 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.678 -11.151 -3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.998 -10.891 -3.528 1.00 0.00 H new ATOM 494 N PRO A 34 2.546 -11.026 -6.293 1.00 0.00 N ATOM 495 CA PRO A 34 2.268 -10.808 -7.716 1.00 0.00 C ATOM 496 C PRO A 34 0.818 -10.411 -7.969 1.00 0.00 C ATOM 497 O PRO A 34 0.493 -9.845 -9.013 1.00 0.00 O ATOM 498 CB PRO A 34 2.569 -12.169 -8.349 1.00 0.00 C ATOM 499 CG PRO A 34 2.371 -13.151 -7.246 1.00 0.00 C ATOM 500 CD PRO A 34 2.784 -12.446 -5.984 1.00 0.00 C ATOM 0 HA PRO A 34 2.862 -9.991 -8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.901 -12.373 -9.186 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.587 -12.209 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.331 -13.472 -7.191 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.972 -14.046 -7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.194 -12.775 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.830 -12.635 -5.742 1.00 0.00 H new ATOM 508 N TRP A 35 -0.049 -10.712 -7.009 1.00 0.00 N ATOM 509 CA TRP A 35 -1.466 -10.386 -7.129 1.00 0.00 C ATOM 510 C TRP A 35 -1.695 -8.887 -6.965 1.00 0.00 C ATOM 511 O TRP A 35 -2.772 -8.378 -7.273 1.00 0.00 O ATOM 512 CB TRP A 35 -2.278 -11.156 -6.087 1.00 0.00 C ATOM 513 CG TRP A 35 -1.693 -11.085 -4.708 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.097 -12.101 -4.018 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.653 -9.938 -3.853 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.687 -11.655 -2.785 1.00 0.00 N ATOM 517 CE2 TRP A 35 -1.016 -10.331 -2.659 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.090 -8.617 -3.979 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.808 -9.449 -1.602 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.884 -7.743 -2.929 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.247 -8.162 -1.753 1.00 0.00 C ATOM 0 H TRP A 35 0.204 -11.181 -6.139 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.798 -10.678 -8.125 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.294 -10.761 -6.064 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.349 -12.200 -6.391 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.967 -13.108 -4.387 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.214 -12.218 -2.078 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.581 -8.285 -4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.317 -9.769 -0.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.219 -6.720 -3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.100 -7.455 -0.950 1.00 0.00 H new ATOM 532 N ALA A 36 -0.676 -8.187 -6.477 1.00 0.00 N ATOM 533 CA ALA A 36 -0.767 -6.747 -6.274 1.00 0.00 C ATOM 534 C ALA A 36 -1.124 -6.031 -7.573 1.00 0.00 C ATOM 535 O ALA A 36 -1.724 -4.956 -7.555 1.00 0.00 O ATOM 536 CB ALA A 36 0.542 -6.209 -5.716 1.00 0.00 C ATOM 0 H ALA A 36 0.222 -8.594 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.562 -6.556 -5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.460 -5.132 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.756 -6.690 -4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.350 -6.419 -6.417 1.00 0.00 H new ATOM 542 N SER A 37 -0.751 -6.633 -8.697 1.00 0.00 N ATOM 543 CA SER A 37 -1.028 -6.050 -10.005 1.00 0.00 C ATOM 544 C SER A 37 -2.525 -6.067 -10.301 1.00 0.00 C ATOM 545 O SER A 37 -2.996 -5.388 -11.214 1.00 0.00 O ATOM 546 CB SER A 37 -0.273 -6.811 -11.096 1.00 0.00 C ATOM 547 OG SER A 37 -0.822 -6.547 -12.376 1.00 0.00 O ATOM 0 H SER A 37 -0.256 -7.524 -8.729 1.00 0.00 H new ATOM 0 HA SER A 37 -0.689 -5.014 -9.993 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.779 -6.525 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.315 -7.881 -10.893 1.00 0.00 H new ATOM 0 HG SER A 37 -0.321 -7.044 -13.056 1.00 0.00 H new ATOM 553 N LEU A 38 -3.267 -6.846 -9.522 1.00 0.00 N ATOM 554 CA LEU A 38 -4.711 -6.952 -9.699 1.00 0.00 C ATOM 555 C LEU A 38 -5.432 -5.812 -8.986 1.00 0.00 C ATOM 556 O LEU A 38 -6.620 -5.580 -9.210 1.00 0.00 O ATOM 557 CB LEU A 38 -5.212 -8.297 -9.171 1.00 0.00 C ATOM 558 CG LEU A 38 -4.574 -9.541 -9.790 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.962 -10.786 -9.007 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.981 -9.679 -11.250 1.00 0.00 C ATOM 0 H LEU A 38 -2.893 -7.414 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.928 -6.884 -10.765 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.047 -8.326 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.289 -8.348 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.491 -9.431 -9.744 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.499 -11.661 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.620 -10.689 -7.977 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.046 -10.901 -9.020 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.518 -10.570 -11.674 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.065 -9.766 -11.319 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.652 -8.800 -11.804 1.00 0.00 H new ATOM 572 N TYR A 39 -4.705 -5.104 -8.129 1.00 0.00 N ATOM 573 CA TYR A 39 -5.275 -3.988 -7.383 1.00 0.00 C ATOM 574 C TYR A 39 -4.568 -2.682 -7.732 1.00 0.00 C ATOM 575 O TYR A 39 -5.168 -1.608 -7.689 1.00 0.00 O ATOM 576 CB TYR A 39 -5.176 -4.249 -5.879 1.00 0.00 C ATOM 577 CG TYR A 39 -5.837 -5.537 -5.444 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.166 -6.751 -5.536 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.132 -5.542 -4.941 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.766 -7.930 -5.140 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.739 -6.716 -4.541 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.052 -7.908 -4.643 1.00 0.00 C ATOM 583 OH TYR A 39 -7.654 -9.080 -4.247 1.00 0.00 O ATOM 0 H TYR A 39 -3.720 -5.283 -7.934 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.325 -3.897 -7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.125 -4.275 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.633 -3.417 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.158 -6.772 -5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.674 -4.611 -4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.231 -8.865 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.746 -6.701 -4.151 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.558 -8.889 -3.921 1.00 0.00 H new ATOM 593 N ARG A 40 -3.289 -2.783 -8.077 1.00 0.00 N ATOM 594 CA ARG A 40 -2.498 -1.611 -8.432 1.00 0.00 C ATOM 595 C ARG A 40 -3.314 -0.643 -9.286 1.00 0.00 C ATOM 596 O ARG A 40 -3.300 0.566 -9.056 1.00 0.00 O ATOM 597 CB ARG A 40 -1.234 -2.030 -9.185 1.00 0.00 C ATOM 598 CG ARG A 40 -1.490 -2.428 -10.630 1.00 0.00 C ATOM 599 CD ARG A 40 -0.217 -2.910 -11.308 1.00 0.00 C ATOM 600 NE ARG A 40 0.536 -1.809 -11.903 1.00 0.00 N ATOM 601 CZ ARG A 40 1.652 -1.976 -12.605 1.00 0.00 C ATOM 602 NH1 ARG A 40 2.140 -3.193 -12.799 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.280 -0.925 -13.115 1.00 0.00 N ATOM 0 H ARG A 40 -2.778 -3.665 -8.118 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.212 -1.104 -7.510 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.519 -1.207 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.771 -2.867 -8.663 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.242 -3.216 -10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.895 -1.577 -11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.409 -3.426 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.470 -3.636 -12.081 1.00 0.00 H new ATOM 0 HE ARG A 40 0.186 -0.860 -11.773 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.659 -4.004 -12.409 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.997 -3.319 -13.338 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.907 0.013 -12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.136 -1.055 -13.654 1.00 0.00 H new ATOM 617 N ASP A 41 -4.022 -1.185 -10.270 1.00 0.00 N ATOM 618 CA ASP A 41 -4.844 -0.370 -11.158 1.00 0.00 C ATOM 619 C ASP A 41 -5.774 0.537 -10.358 1.00 0.00 C ATOM 620 O ASP A 41 -5.977 1.699 -10.709 1.00 0.00 O ATOM 621 CB ASP A 41 -5.662 -1.263 -12.092 1.00 0.00 C ATOM 622 CG ASP A 41 -4.842 -1.794 -13.251 1.00 0.00 C ATOM 623 OD1 ASP A 41 -3.723 -2.291 -13.007 1.00 0.00 O ATOM 624 OD2 ASP A 41 -5.319 -1.711 -14.403 1.00 0.00 O ATOM 0 H ASP A 41 -4.044 -2.184 -10.473 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.180 0.256 -11.755 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.069 -2.100 -11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.510 -0.698 -12.479 1.00 0.00 H new ATOM 629 N ARG A 42 -6.336 -0.003 -9.281 1.00 0.00 N ATOM 630 CA ARG A 42 -7.246 0.757 -8.432 1.00 0.00 C ATOM 631 C ARG A 42 -6.486 1.803 -7.620 1.00 0.00 C ATOM 632 O ARG A 42 -7.054 2.812 -7.202 1.00 0.00 O ATOM 633 CB ARG A 42 -8.004 -0.181 -7.493 1.00 0.00 C ATOM 634 CG ARG A 42 -8.626 -1.376 -8.197 1.00 0.00 C ATOM 635 CD ARG A 42 -9.757 -1.979 -7.378 1.00 0.00 C ATOM 636 NE ARG A 42 -10.774 -2.600 -8.223 1.00 0.00 N ATOM 637 CZ ARG A 42 -10.634 -3.796 -8.783 1.00 0.00 C ATOM 638 NH1 ARG A 42 -9.525 -4.497 -8.589 1.00 0.00 N ATOM 639 NH2 ARG A 42 -11.604 -4.294 -9.539 1.00 0.00 N ATOM 0 H ARG A 42 -6.177 -0.963 -8.976 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.960 1.270 -9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.322 -0.539 -6.722 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.789 0.381 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.005 -1.069 -9.172 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.862 -2.132 -8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.351 -2.723 -6.693 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.218 -1.202 -6.768 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.639 -2.087 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.777 -4.118 -8.008 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.420 -5.415 -9.020 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.459 -3.758 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.495 -5.213 -9.969 1.00 0.00 H new ATOM 653 N PHE A 43 -5.200 1.554 -7.401 1.00 0.00 N ATOM 654 CA PHE A 43 -4.363 2.472 -6.638 1.00 0.00 C ATOM 655 C PHE A 43 -3.978 3.685 -7.480 1.00 0.00 C ATOM 656 O PHE A 43 -3.985 4.818 -6.997 1.00 0.00 O ATOM 657 CB PHE A 43 -3.102 1.758 -6.146 1.00 0.00 C ATOM 658 CG PHE A 43 -3.340 0.869 -4.959 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.342 -0.089 -4.984 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.563 0.990 -3.819 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.564 -0.907 -3.893 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.781 0.174 -2.724 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.781 -0.777 -2.762 1.00 0.00 C ATOM 0 H PHE A 43 -4.714 0.724 -7.741 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.937 2.816 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.691 1.161 -6.960 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.350 2.503 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.956 -0.197 -5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.777 1.730 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.349 -1.648 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.170 0.281 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.951 -1.418 -1.910 1.00 0.00 H new ATOM 673 N LEU A 44 -3.643 3.439 -8.741 1.00 0.00 N ATOM 674 CA LEU A 44 -3.255 4.510 -9.652 1.00 0.00 C ATOM 675 C LEU A 44 -4.464 5.347 -10.056 1.00 0.00 C ATOM 676 O LEU A 44 -4.468 6.568 -9.896 1.00 0.00 O ATOM 677 CB LEU A 44 -2.584 3.929 -10.898 1.00 0.00 C ATOM 678 CG LEU A 44 -1.186 3.342 -10.697 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.292 4.333 -9.966 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.264 2.028 -9.933 1.00 0.00 C ATOM 0 H LEU A 44 -3.632 2.507 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.547 5.155 -9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.229 3.149 -11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.522 4.714 -11.652 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.751 3.144 -11.677 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.699 3.899 -9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.210 5.249 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.723 4.562 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.260 1.625 -9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.719 2.201 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.869 1.316 -10.494 1.00 0.00 H new ATOM 692 N SER A 45 -5.490 4.682 -10.578 1.00 0.00 N ATOM 693 CA SER A 45 -6.705 5.365 -11.005 1.00 0.00 C ATOM 694 C SER A 45 -7.254 6.248 -9.889 1.00 0.00 C ATOM 695 O SER A 45 -7.643 7.392 -10.123 1.00 0.00 O ATOM 696 CB SER A 45 -7.764 4.347 -11.433 1.00 0.00 C ATOM 697 OG SER A 45 -8.643 4.899 -12.398 1.00 0.00 O ATOM 0 H SER A 45 -5.504 3.671 -10.715 1.00 0.00 H new ATOM 0 HA SER A 45 -6.455 5.999 -11.856 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.277 3.463 -11.844 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.333 4.022 -10.562 1.00 0.00 H new ATOM 0 HG SER A 45 -9.309 4.228 -12.656 1.00 0.00 H new ATOM 703 N GLU A 46 -7.281 5.707 -8.675 1.00 0.00 N ATOM 704 CA GLU A 46 -7.783 6.446 -7.521 1.00 0.00 C ATOM 705 C GLU A 46 -6.684 7.309 -6.908 1.00 0.00 C ATOM 706 O GLU A 46 -6.836 7.834 -5.805 1.00 0.00 O ATOM 707 CB GLU A 46 -8.335 5.480 -6.471 1.00 0.00 C ATOM 708 CG GLU A 46 -9.614 4.781 -6.899 1.00 0.00 C ATOM 709 CD GLU A 46 -10.753 5.750 -7.151 1.00 0.00 C ATOM 710 OE1 GLU A 46 -11.247 6.353 -6.175 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.150 5.906 -8.325 1.00 0.00 O ATOM 0 H GLU A 46 -6.962 4.761 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.586 7.100 -7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.578 4.729 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.522 6.028 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.424 4.207 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.911 4.070 -6.128 1.00 0.00 H new ATOM 718 N ARG A 47 -5.577 7.449 -7.630 1.00 0.00 N ATOM 719 CA ARG A 47 -4.452 8.245 -7.156 1.00 0.00 C ATOM 720 C ARG A 47 -4.217 8.023 -5.665 1.00 0.00 C ATOM 721 O ARG A 47 -3.821 8.939 -4.944 1.00 0.00 O ATOM 722 CB ARG A 47 -4.701 9.730 -7.428 1.00 0.00 C ATOM 723 CG ARG A 47 -4.998 10.041 -8.886 1.00 0.00 C ATOM 724 CD ARG A 47 -3.723 10.317 -9.667 1.00 0.00 C ATOM 725 NE ARG A 47 -3.316 11.717 -9.575 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.104 12.153 -9.898 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.184 11.303 -10.334 1.00 0.00 N ATOM 728 NH2 ARG A 47 -1.810 13.442 -9.787 1.00 0.00 N ATOM 0 H ARG A 47 -5.435 7.021 -8.545 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.561 7.927 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.537 10.068 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.826 10.300 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.528 9.202 -9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.658 10.906 -8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.922 9.681 -9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.874 10.052 -10.713 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.001 12.397 -9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.407 10.311 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.254 11.641 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.515 14.099 -9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.879 13.776 -10.035 1.00 0.00 H new ATOM 742 N VAL A 48 -4.464 6.799 -5.209 1.00 0.00 N ATOM 743 CA VAL A 48 -4.279 6.455 -3.804 1.00 0.00 C ATOM 744 C VAL A 48 -2.832 6.663 -3.373 1.00 0.00 C ATOM 745 O VAL A 48 -1.957 5.859 -3.693 1.00 0.00 O ATOM 746 CB VAL A 48 -4.682 4.994 -3.526 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.590 4.689 -2.039 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.083 4.719 -4.050 1.00 0.00 C ATOM 0 H VAL A 48 -4.793 6.029 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.925 7.118 -3.228 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.988 4.337 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.878 3.653 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.566 4.844 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.259 5.351 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.351 3.683 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.793 5.382 -3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.110 4.895 -5.125 1.00 0.00 H new ATOM 758 N ASN A 49 -2.587 7.747 -2.645 1.00 0.00 N ATOM 759 CA ASN A 49 -1.244 8.061 -2.169 1.00 0.00 C ATOM 760 C ASN A 49 -0.989 7.429 -0.805 1.00 0.00 C ATOM 761 O ASN A 49 -1.884 6.834 -0.207 1.00 0.00 O ATOM 762 CB ASN A 49 -1.052 9.577 -2.086 1.00 0.00 C ATOM 763 CG ASN A 49 -1.799 10.191 -0.918 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.298 10.223 0.206 1.00 0.00 O ATOM 765 ND2 ASN A 49 -3.005 10.682 -1.180 1.00 0.00 N ATOM 0 H ASN A 49 -3.300 8.423 -2.372 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.527 7.649 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.011 9.801 -1.993 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.394 10.035 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.556 11.107 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.381 10.634 -2.127 1.00 0.00 H new ATOM 772 N GLY A 50 0.241 7.563 -0.317 1.00 0.00 N ATOM 773 CA GLY A 50 0.593 7.001 0.974 1.00 0.00 C ATOM 774 C GLY A 50 -0.317 7.487 2.085 1.00 0.00 C ATOM 775 O GLY A 50 -0.957 6.686 2.767 1.00 0.00 O ATOM 0 H GLY A 50 1.000 8.051 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.545 5.913 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.624 7.263 1.212 1.00 0.00 H new ATOM 779 N ARG A 51 -0.373 8.801 2.270 1.00 0.00 N ATOM 780 CA ARG A 51 -1.208 9.392 3.308 1.00 0.00 C ATOM 781 C ARG A 51 -2.602 8.771 3.304 1.00 0.00 C ATOM 782 O ARG A 51 -3.208 8.571 4.357 1.00 0.00 O ATOM 783 CB ARG A 51 -1.311 10.906 3.110 1.00 0.00 C ATOM 784 CG ARG A 51 -1.498 11.678 4.405 1.00 0.00 C ATOM 785 CD ARG A 51 -2.905 11.509 4.957 1.00 0.00 C ATOM 786 NE ARG A 51 -3.249 12.560 5.911 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.644 13.776 5.554 1.00 0.00 C ATOM 788 NH1 ARG A 51 -3.746 14.093 4.270 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.940 14.679 6.481 1.00 0.00 N ATOM 0 H ARG A 51 0.150 9.477 1.714 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.742 9.190 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.409 11.261 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.147 11.121 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.773 11.334 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.299 12.735 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.620 11.518 4.135 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.989 10.537 5.443 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.182 12.348 6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.521 13.402 3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.050 15.028 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.864 14.439 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.243 15.613 6.205 1.00 0.00 H new ATOM 803 N LEU A 52 -3.105 8.469 2.112 1.00 0.00 N ATOM 804 CA LEU A 52 -4.428 7.871 1.969 1.00 0.00 C ATOM 805 C LEU A 52 -4.375 6.367 2.217 1.00 0.00 C ATOM 806 O LEU A 52 -5.325 5.779 2.736 1.00 0.00 O ATOM 807 CB LEU A 52 -4.987 8.150 0.573 1.00 0.00 C ATOM 808 CG LEU A 52 -6.369 7.566 0.275 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.447 8.339 1.018 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.639 7.575 -1.223 1.00 0.00 C ATOM 0 H LEU A 52 -2.617 8.628 1.231 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.085 8.320 2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.032 9.230 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.284 7.761 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.389 6.533 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.423 7.909 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.263 8.281 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.429 9.382 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.626 7.156 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.600 8.599 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.884 6.976 -1.732 1.00 0.00 H new ATOM 822 N LEU A 53 -3.259 5.750 1.846 1.00 0.00 N ATOM 823 CA LEU A 53 -3.081 4.314 2.030 1.00 0.00 C ATOM 824 C LEU A 53 -3.166 3.939 3.506 1.00 0.00 C ATOM 825 O LEU A 53 -3.704 2.890 3.862 1.00 0.00 O ATOM 826 CB LEU A 53 -1.734 3.869 1.456 1.00 0.00 C ATOM 827 CG LEU A 53 -1.403 2.383 1.596 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.341 1.545 0.741 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.047 2.121 1.213 1.00 0.00 C ATOM 0 H LEU A 53 -2.463 6.222 1.416 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.883 3.803 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.709 4.128 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.946 4.444 1.943 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.540 2.096 2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.091 0.490 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.370 1.710 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.236 1.834 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.265 1.058 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.211 2.424 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.705 2.693 1.867 1.00 0.00 H new ATOM 841 N LEU A 54 -2.634 4.805 4.362 1.00 0.00 N ATOM 842 CA LEU A 54 -2.652 4.566 5.801 1.00 0.00 C ATOM 843 C LEU A 54 -4.059 4.737 6.364 1.00 0.00 C ATOM 844 O LEU A 54 -4.500 3.959 7.211 1.00 0.00 O ATOM 845 CB LEU A 54 -1.688 5.521 6.508 1.00 0.00 C ATOM 846 CG LEU A 54 -0.204 5.335 6.189 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.621 6.445 6.821 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.277 3.972 6.665 1.00 0.00 C ATOM 0 H LEU A 54 -2.185 5.678 4.085 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.332 3.539 5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.969 6.543 6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.824 5.412 7.584 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.075 5.386 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.674 6.296 6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.294 7.409 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.487 6.427 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.335 3.857 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.134 3.892 7.743 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.293 3.190 6.164 1.00 0.00 H new ATOM 860 N THR A 55 -4.762 5.760 5.887 1.00 0.00 N ATOM 861 CA THR A 55 -6.119 6.033 6.341 1.00 0.00 C ATOM 862 C THR A 55 -7.042 4.854 6.054 1.00 0.00 C ATOM 863 O THR A 55 -7.892 4.504 6.874 1.00 0.00 O ATOM 864 CB THR A 55 -6.693 7.295 5.670 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.976 7.031 4.292 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.718 8.457 5.780 1.00 0.00 C ATOM 0 H THR A 55 -4.413 6.413 5.186 1.00 0.00 H new ATOM 0 HA THR A 55 -6.065 6.196 7.417 1.00 0.00 H new ATOM 0 HB THR A 55 -7.615 7.566 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.186 6.637 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.145 9.337 5.299 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.528 8.674 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.781 8.194 5.289 1.00 0.00 H new ATOM 874 N LEU A 56 -6.870 4.245 4.886 1.00 0.00 N ATOM 875 CA LEU A 56 -7.688 3.104 4.491 1.00 0.00 C ATOM 876 C LEU A 56 -7.612 1.992 5.533 1.00 0.00 C ATOM 877 O LEU A 56 -6.526 1.549 5.907 1.00 0.00 O ATOM 878 CB LEU A 56 -7.235 2.573 3.129 1.00 0.00 C ATOM 879 CG LEU A 56 -7.427 3.519 1.943 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.570 3.079 0.766 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.894 3.582 1.543 1.00 0.00 C ATOM 0 H LEU A 56 -6.172 4.522 4.196 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.723 3.439 4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.178 2.315 3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.776 1.650 2.923 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.110 4.518 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.719 3.764 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.520 3.086 1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.856 2.071 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.012 4.260 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.237 2.587 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.485 3.945 2.384 1.00 0.00 H new ATOM 893 N THR A 57 -8.774 1.543 5.998 1.00 0.00 N ATOM 894 CA THR A 57 -8.840 0.483 6.995 1.00 0.00 C ATOM 895 C THR A 57 -9.402 -0.801 6.397 1.00 0.00 C ATOM 896 O THR A 57 -9.871 -0.813 5.259 1.00 0.00 O ATOM 897 CB THR A 57 -9.708 0.897 8.199 1.00 0.00 C ATOM 898 OG1 THR A 57 -11.074 1.037 7.793 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.215 2.206 8.796 1.00 0.00 C ATOM 0 H THR A 57 -9.682 1.898 5.699 1.00 0.00 H new ATOM 0 HA THR A 57 -7.820 0.306 7.335 1.00 0.00 H new ATOM 0 HB THR A 57 -9.633 0.118 8.958 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.619 1.299 8.564 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.843 2.478 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.184 2.088 9.130 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.264 2.991 8.042 1.00 0.00 H new ATOM 907 N GLU A 58 -9.350 -1.881 7.170 1.00 0.00 N ATOM 908 CA GLU A 58 -9.854 -3.171 6.714 1.00 0.00 C ATOM 909 C GLU A 58 -11.162 -3.004 5.947 1.00 0.00 C ATOM 910 O GLU A 58 -11.355 -3.605 4.890 1.00 0.00 O ATOM 911 CB GLU A 58 -10.064 -4.111 7.903 1.00 0.00 C ATOM 912 CG GLU A 58 -10.582 -5.484 7.510 1.00 0.00 C ATOM 913 CD GLU A 58 -11.025 -6.305 8.705 1.00 0.00 C ATOM 914 OE1 GLU A 58 -11.977 -5.882 9.395 1.00 0.00 O ATOM 915 OE2 GLU A 58 -10.421 -7.370 8.951 1.00 0.00 O ATOM 0 H GLU A 58 -8.964 -1.888 8.114 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.112 -3.605 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.120 -4.227 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.767 -3.652 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.420 -5.369 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.801 -6.023 6.973 1.00 0.00 H new ATOM 922 N GLU A 59 -12.058 -2.183 6.487 1.00 0.00 N ATOM 923 CA GLU A 59 -13.348 -1.938 5.854 1.00 0.00 C ATOM 924 C GLU A 59 -13.168 -1.276 4.491 1.00 0.00 C ATOM 925 O GLU A 59 -13.451 -1.878 3.456 1.00 0.00 O ATOM 926 CB GLU A 59 -14.221 -1.057 6.750 1.00 0.00 C ATOM 927 CG GLU A 59 -15.088 -1.843 7.719 1.00 0.00 C ATOM 928 CD GLU A 59 -15.417 -1.060 8.975 1.00 0.00 C ATOM 929 OE1 GLU A 59 -14.476 -0.670 9.695 1.00 0.00 O ATOM 930 OE2 GLU A 59 -16.618 -0.837 9.236 1.00 0.00 O ATOM 0 H GLU A 59 -11.914 -1.677 7.361 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.842 -2.899 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.580 -0.381 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.862 -0.438 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.014 -2.130 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.575 -2.765 7.994 1.00 0.00 H new ATOM 937 N GLU A 60 -12.697 -0.033 4.500 1.00 0.00 N ATOM 938 CA GLU A 60 -12.481 0.711 3.265 1.00 0.00 C ATOM 939 C GLU A 60 -11.980 -0.210 2.156 1.00 0.00 C ATOM 940 O GLU A 60 -12.471 -0.166 1.028 1.00 0.00 O ATOM 941 CB GLU A 60 -11.478 1.843 3.494 1.00 0.00 C ATOM 942 CG GLU A 60 -12.019 2.969 4.359 1.00 0.00 C ATOM 943 CD GLU A 60 -12.794 3.998 3.559 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.861 3.645 3.015 1.00 0.00 O ATOM 945 OE2 GLU A 60 -12.333 5.156 3.476 1.00 0.00 O ATOM 0 H GLU A 60 -12.458 0.480 5.349 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.435 1.138 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.582 1.435 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.176 2.250 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.666 2.551 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.191 3.460 4.870 1.00 0.00 H new ATOM 952 N PHE A 61 -11.000 -1.044 2.485 1.00 0.00 N ATOM 953 CA PHE A 61 -10.430 -1.975 1.517 1.00 0.00 C ATOM 954 C PHE A 61 -11.493 -2.942 1.003 1.00 0.00 C ATOM 955 O PHE A 61 -11.553 -3.237 -0.191 1.00 0.00 O ATOM 956 CB PHE A 61 -9.276 -2.757 2.148 1.00 0.00 C ATOM 957 CG PHE A 61 -7.991 -1.982 2.212 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.464 -1.395 1.073 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.310 -1.842 3.410 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.282 -0.681 1.128 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.128 -1.128 3.471 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.613 -0.548 2.329 1.00 0.00 C ATOM 0 H PHE A 61 -10.583 -1.095 3.415 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.050 -1.397 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.560 -3.058 3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.112 -3.671 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.983 -1.497 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.707 -2.296 4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.882 -0.228 0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.608 -1.024 4.412 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.689 0.009 2.375 1.00 0.00 H new ATOM 972 N SER A 62 -12.330 -3.431 1.912 1.00 0.00 N ATOM 973 CA SER A 62 -13.388 -4.368 1.552 1.00 0.00 C ATOM 974 C SER A 62 -14.531 -3.649 0.843 1.00 0.00 C ATOM 975 O SER A 62 -15.396 -4.282 0.236 1.00 0.00 O ATOM 976 CB SER A 62 -13.914 -5.080 2.799 1.00 0.00 C ATOM 977 OG SER A 62 -14.418 -6.365 2.478 1.00 0.00 O ATOM 0 H SER A 62 -12.296 -3.194 2.903 1.00 0.00 H new ATOM 0 HA SER A 62 -12.968 -5.108 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.114 -5.173 3.533 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.701 -4.482 3.259 1.00 0.00 H new ATOM 0 HG SER A 62 -14.747 -6.800 3.292 1.00 0.00 H new ATOM 983 N ARG A 63 -14.529 -2.323 0.924 1.00 0.00 N ATOM 984 CA ARG A 63 -15.566 -1.517 0.291 1.00 0.00 C ATOM 985 C ARG A 63 -15.105 -1.010 -1.072 1.00 0.00 C ATOM 986 O ARG A 63 -13.919 -0.756 -1.283 1.00 0.00 O ATOM 987 CB ARG A 63 -15.940 -0.334 1.187 1.00 0.00 C ATOM 988 CG ARG A 63 -16.320 -0.738 2.602 1.00 0.00 C ATOM 989 CD ARG A 63 -17.637 -1.499 2.630 1.00 0.00 C ATOM 990 NE ARG A 63 -18.774 -0.636 2.321 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.218 0.314 3.137 1.00 0.00 C ATOM 992 NH1 ARG A 63 -18.623 0.522 4.304 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.258 1.059 2.786 1.00 0.00 N ATOM 0 H ARG A 63 -13.821 -1.784 1.422 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.443 -2.147 0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -15.100 0.359 1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.774 0.204 0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.531 -1.358 3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.399 0.152 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.598 -2.318 1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.777 -1.945 3.615 1.00 0.00 H new ATOM 0 HE ARG A 63 -19.253 -0.770 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.822 -0.048 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -18.966 1.252 4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.718 0.903 1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -20.598 1.788 3.413 1.00 0.00 H new ATOM 1007 N ALA A 64 -16.051 -0.865 -1.995 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.742 -0.387 -3.337 1.00 0.00 C ATOM 1009 C ALA A 64 -15.055 0.973 -3.291 1.00 0.00 C ATOM 1010 O ALA A 64 -15.105 1.687 -2.289 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.010 -0.313 -4.175 1.00 0.00 C ATOM 0 H ALA A 64 -17.037 -1.072 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.055 -1.095 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.765 0.045 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.458 -1.304 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.716 0.373 -3.707 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.398 1.343 -4.400 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.332 0.502 -5.598 1.00 0.00 C ATOM 1019 C PRO A 65 -13.475 -0.742 -5.387 1.00 0.00 C ATOM 1020 O PRO A 65 -13.702 -1.778 -6.012 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.692 1.421 -6.642 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.905 2.405 -5.848 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.668 2.611 -4.569 1.00 0.00 C ATOM 0 HA PRO A 65 -15.314 0.125 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.053 0.861 -7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.449 1.917 -7.250 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.901 2.031 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.793 3.344 -6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.000 2.805 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.348 3.460 -4.639 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.490 -0.633 -4.502 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.598 -1.748 -4.210 1.00 0.00 C ATOM 1033 C TYR A 66 -12.390 -3.026 -3.950 1.00 0.00 C ATOM 1034 O TYR A 66 -12.043 -4.098 -4.447 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.721 -1.423 -2.999 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.374 0.043 -2.879 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.578 0.669 -3.830 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.842 0.803 -1.813 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.258 2.009 -3.724 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.528 2.143 -1.700 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.736 2.742 -2.657 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.419 4.077 -2.547 1.00 0.00 O ATOM 0 H TYR A 66 -12.289 0.217 -3.975 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.961 -1.908 -5.080 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.236 -1.741 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.800 -2.002 -3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.203 0.098 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.462 0.338 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.637 2.480 -4.472 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.901 2.719 -0.866 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.835 4.447 -1.740 1.00 0.00 H new ATOM 1052 N THR A 67 -13.458 -2.904 -3.168 1.00 0.00 N ATOM 1053 CA THR A 67 -14.300 -4.047 -2.840 1.00 0.00 C ATOM 1054 C THR A 67 -13.477 -5.326 -2.743 1.00 0.00 C ATOM 1055 O THR A 67 -13.929 -6.398 -3.147 1.00 0.00 O ATOM 1056 CB THR A 67 -15.412 -4.244 -3.888 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.348 -5.227 -3.431 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.826 -4.677 -5.224 1.00 0.00 C ATOM 0 H THR A 67 -13.760 -2.024 -2.750 1.00 0.00 H new ATOM 0 HA THR A 67 -14.755 -3.837 -1.872 1.00 0.00 H new ATOM 0 HB THR A 67 -15.924 -3.292 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.872 -6.055 -3.210 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.630 -4.810 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.136 -3.913 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.291 -5.619 -5.099 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.269 -5.207 -2.203 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.384 -6.356 -2.052 1.00 0.00 C ATOM 1068 C ILE A 68 -12.135 -7.557 -1.488 1.00 0.00 C ATOM 1069 O ILE A 68 -12.254 -7.712 -0.273 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.193 -6.031 -1.131 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.393 -4.854 -1.693 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.302 -7.253 -0.966 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.398 -4.276 -0.710 1.00 0.00 C ATOM 0 H ILE A 68 -11.881 -4.327 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.009 -6.599 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.577 -5.750 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.861 -5.180 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.084 -4.070 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.465 -7.007 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.879 -8.067 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.923 -7.561 -1.940 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.867 -3.446 -1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.926 -3.919 0.174 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.684 -5.047 -0.420 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.637 -8.406 -2.379 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.376 -9.595 -1.969 1.00 0.00 C ATOM 1087 C GLU A 69 -12.422 -10.721 -1.582 1.00 0.00 C ATOM 1088 O GLU A 69 -12.641 -11.881 -1.929 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.302 -10.060 -3.095 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.265 -8.987 -3.574 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.466 -9.563 -4.298 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -16.318 -10.617 -4.949 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.556 -8.958 -4.212 1.00 0.00 O ATOM 0 H GLU A 69 -12.546 -8.293 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.977 -9.336 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.696 -10.395 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.874 -10.922 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.606 -8.403 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.739 -8.302 -4.239 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.362 -10.369 -0.861 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.373 -11.350 -0.427 1.00 0.00 C ATOM 1102 C ASN A 70 -9.653 -10.875 0.831 1.00 0.00 C ATOM 1103 O ASN A 70 -8.810 -9.980 0.776 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.358 -11.609 -1.542 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.380 -12.713 -1.188 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -8.749 -13.707 -0.564 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -7.125 -12.541 -1.587 1.00 0.00 N ATOM 0 H ASN A 70 -11.166 -9.413 -0.565 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.895 -12.279 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.887 -11.876 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.807 -10.691 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.422 -13.250 -1.378 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.864 -11.700 -2.102 1.00 0.00 H new ATOM 1114 N SER A 71 -9.990 -11.483 1.964 1.00 0.00 N ATOM 1115 CA SER A 71 -9.378 -11.121 3.238 1.00 0.00 C ATOM 1116 C SER A 71 -7.856 -11.171 3.143 1.00 0.00 C ATOM 1117 O SER A 71 -7.175 -10.174 3.381 1.00 0.00 O ATOM 1118 CB SER A 71 -9.863 -12.058 4.345 1.00 0.00 C ATOM 1119 OG SER A 71 -11.279 -12.089 4.404 1.00 0.00 O ATOM 0 H SER A 71 -10.683 -12.229 2.026 1.00 0.00 H new ATOM 0 HA SER A 71 -9.676 -10.101 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.481 -13.063 4.168 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.463 -11.730 5.304 1.00 0.00 H new ATOM 0 HG SER A 71 -11.563 -12.696 5.118 1.00 0.00 H new ATOM 1125 N SER A 72 -7.330 -12.341 2.793 1.00 0.00 N ATOM 1126 CA SER A 72 -5.889 -12.524 2.669 1.00 0.00 C ATOM 1127 C SER A 72 -5.230 -11.276 2.091 1.00 0.00 C ATOM 1128 O SER A 72 -4.173 -10.846 2.554 1.00 0.00 O ATOM 1129 CB SER A 72 -5.582 -13.734 1.785 1.00 0.00 C ATOM 1130 OG SER A 72 -4.235 -14.148 1.936 1.00 0.00 O ATOM 0 H SER A 72 -7.880 -13.176 2.591 1.00 0.00 H new ATOM 0 HA SER A 72 -5.483 -12.699 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.249 -14.556 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.774 -13.484 0.742 1.00 0.00 H new ATOM 0 HG SER A 72 -4.065 -14.924 1.362 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.862 -10.698 1.074 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.338 -9.498 0.431 1.00 0.00 C ATOM 1138 C HIS A 73 -5.236 -8.348 1.428 1.00 0.00 C ATOM 1139 O HIS A 73 -4.235 -7.633 1.464 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.229 -9.093 -0.744 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.714 -7.912 -1.507 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.212 -6.636 -1.345 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.738 -7.818 -2.440 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.565 -5.809 -2.146 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.665 -6.501 -2.821 1.00 0.00 N ATOM 0 H HIS A 73 -6.737 -11.041 0.678 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.338 -9.722 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.327 -9.940 -1.424 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.228 -8.867 -0.371 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.130 -8.628 -2.815 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.742 -4.747 -2.234 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.020 -6.119 -3.513 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.278 -8.176 2.234 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.307 -7.112 3.230 1.00 0.00 C ATOM 1156 C ARG A 74 -5.276 -7.365 4.326 1.00 0.00 C ATOM 1157 O ARG A 74 -4.615 -6.439 4.796 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.703 -6.996 3.845 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.692 -6.240 2.973 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.983 -5.946 3.721 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.895 -7.086 3.708 1.00 0.00 N ATOM 1162 CZ ARG A 74 -10.834 -8.087 4.580 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -9.908 -8.087 5.529 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -11.699 -9.089 4.503 1.00 0.00 N ATOM 0 H ARG A 74 -7.114 -8.760 2.217 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.059 -6.175 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.091 -7.997 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.625 -6.495 4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.243 -5.305 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.913 -6.825 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.752 -5.679 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.474 -5.084 3.271 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.619 -7.116 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.241 -7.318 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.863 -8.856 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.412 -9.092 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.651 -9.857 5.173 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.145 -8.625 4.728 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.196 -8.999 5.770 1.00 0.00 C ATOM 1180 C ARG A 75 -2.767 -8.676 5.345 1.00 0.00 C ATOM 1181 O ARG A 75 -1.938 -8.280 6.165 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.320 -10.490 6.090 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.396 -10.952 7.205 1.00 0.00 C ATOM 1184 CD ARG A 75 -2.028 -11.342 6.668 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.304 -12.211 7.593 1.00 0.00 N ATOM 1186 CZ ARG A 75 -1.665 -13.461 7.861 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -2.734 -13.985 7.278 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.955 -14.189 8.714 1.00 0.00 N ATOM 0 H ARG A 75 -5.684 -9.404 4.348 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.430 -8.421 6.664 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.351 -10.709 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.105 -11.065 5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.286 -10.156 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.842 -11.803 7.720 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.146 -11.850 5.711 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.442 -10.442 6.482 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.477 -11.838 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.282 -13.428 6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.009 -14.945 7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.132 -13.789 9.164 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.233 -15.149 8.919 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.484 -8.849 4.058 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.155 -8.576 3.523 1.00 0.00 C ATOM 1204 C VAL A 76 -0.856 -7.081 3.532 1.00 0.00 C ATOM 1205 O VAL A 76 0.234 -6.659 3.920 1.00 0.00 O ATOM 1206 CB VAL A 76 -1.008 -9.109 2.085 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.356 -8.747 1.519 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.227 -10.614 2.051 1.00 0.00 C ATOM 0 H VAL A 76 -3.158 -9.177 3.366 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.442 -9.090 4.168 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.769 -8.640 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.442 -9.132 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.469 -7.663 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.136 -9.187 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.120 -10.974 1.028 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.490 -11.103 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.229 -10.844 2.413 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.830 -6.286 3.104 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.671 -4.837 3.065 1.00 0.00 C ATOM 1220 C ILE A 77 -1.613 -4.252 4.472 1.00 0.00 C ATOM 1221 O ILE A 77 -0.598 -3.684 4.878 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.820 -4.166 2.290 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.671 -4.425 0.789 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.849 -2.672 2.574 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.850 -3.942 -0.027 1.00 0.00 C ATOM 0 H ILE A 77 -2.737 -6.620 2.779 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.731 -4.636 2.552 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.764 -4.598 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.766 -3.933 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.539 -5.494 0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.667 -2.212 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.997 -2.507 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.904 -2.225 2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.676 -4.158 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.755 -4.452 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.970 -2.867 0.108 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.706 -4.397 5.213 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.779 -3.885 6.577 1.00 0.00 C ATOM 1239 C LEU A 78 -1.531 -4.262 7.368 1.00 0.00 C ATOM 1240 O LEU A 78 -0.874 -3.405 7.960 1.00 0.00 O ATOM 1241 CB LEU A 78 -4.025 -4.426 7.280 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.335 -3.694 6.983 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.526 -4.532 7.421 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.354 -2.336 7.669 1.00 0.00 C ATOM 0 H LEU A 78 -3.554 -4.865 4.892 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.840 -2.798 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.147 -5.474 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.852 -4.397 8.356 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.405 -3.536 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.449 -3.995 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.521 -5.480 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.463 -4.722 8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.293 -1.829 7.447 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.261 -2.471 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.522 -1.733 7.306 1.00 0.00 H new ATOM 1256 N THR A 79 -1.207 -5.552 7.373 1.00 0.00 N ATOM 1257 CA THR A 79 -0.037 -6.043 8.090 1.00 0.00 C ATOM 1258 C THR A 79 1.229 -5.328 7.632 1.00 0.00 C ATOM 1259 O THR A 79 1.830 -4.567 8.388 1.00 0.00 O ATOM 1260 CB THR A 79 0.144 -7.560 7.896 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.979 -8.261 8.441 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.423 -8.042 8.565 1.00 0.00 C ATOM 0 H THR A 79 -1.739 -6.275 6.888 1.00 0.00 H new ATOM 0 HA THR A 79 -0.204 -5.837 9.147 1.00 0.00 H new ATOM 0 HB THR A 79 0.213 -7.762 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.710 -8.264 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.530 -9.116 8.415 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.279 -7.528 8.127 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.378 -7.828 9.633 1.00 0.00 H new ATOM 1270 N GLU A 80 1.627 -5.579 6.388 1.00 0.00 N ATOM 1271 CA GLU A 80 2.823 -4.959 5.830 1.00 0.00 C ATOM 1272 C GLU A 80 2.855 -3.465 6.138 1.00 0.00 C ATOM 1273 O GLU A 80 3.911 -2.902 6.431 1.00 0.00 O ATOM 1274 CB GLU A 80 2.881 -5.181 4.317 1.00 0.00 C ATOM 1275 CG GLU A 80 3.203 -6.612 3.924 1.00 0.00 C ATOM 1276 CD GLU A 80 4.694 -6.865 3.811 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.449 -5.886 3.627 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.107 -8.039 3.906 1.00 0.00 O ATOM 0 H GLU A 80 1.139 -6.206 5.749 1.00 0.00 H new ATOM 0 HA GLU A 80 3.693 -5.426 6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.923 -4.900 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.633 -4.518 3.890 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.778 -7.292 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.727 -6.839 2.970 1.00 0.00 H new ATOM 1285 N LEU A 81 1.691 -2.828 6.069 1.00 0.00 N ATOM 1286 CA LEU A 81 1.584 -1.398 6.340 1.00 0.00 C ATOM 1287 C LEU A 81 2.000 -1.083 7.773 1.00 0.00 C ATOM 1288 O LEU A 81 2.737 -0.129 8.020 1.00 0.00 O ATOM 1289 CB LEU A 81 0.153 -0.918 6.094 1.00 0.00 C ATOM 1290 CG LEU A 81 0.001 0.529 5.625 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.529 0.688 4.207 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.454 0.967 5.706 1.00 0.00 C ATOM 0 H LEU A 81 0.808 -3.279 5.828 1.00 0.00 H new ATOM 0 HA LEU A 81 2.258 -0.873 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.304 -1.570 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.414 -1.041 7.017 1.00 0.00 H new ATOM 0 HG LEU A 81 0.589 1.168 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.413 1.724 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.584 0.416 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.031 0.038 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.542 2.000 5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.063 0.324 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.800 0.892 6.737 1.00 0.00 H new ATOM 1304 N GLU A 82 1.523 -1.892 8.714 1.00 0.00 N ATOM 1305 CA GLU A 82 1.846 -1.699 10.123 1.00 0.00 C ATOM 1306 C GLU A 82 3.355 -1.750 10.346 1.00 0.00 C ATOM 1307 O GLU A 82 3.856 -1.298 11.376 1.00 0.00 O ATOM 1308 CB GLU A 82 1.156 -2.764 10.978 1.00 0.00 C ATOM 1309 CG GLU A 82 1.769 -2.926 12.359 1.00 0.00 C ATOM 1310 CD GLU A 82 0.768 -3.418 13.387 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.292 -2.775 13.537 1.00 0.00 O ATOM 1312 OE2 GLU A 82 1.044 -4.445 14.040 1.00 0.00 O ATOM 0 H GLU A 82 0.912 -2.687 8.526 1.00 0.00 H new ATOM 0 HA GLU A 82 1.485 -0.715 10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.103 -2.506 11.085 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.198 -3.720 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.601 -3.627 12.303 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.179 -1.970 12.685 1.00 0.00 H new ATOM 1319 N ARG A 83 4.073 -2.303 9.374 1.00 0.00 N ATOM 1320 CA ARG A 83 5.523 -2.415 9.465 1.00 0.00 C ATOM 1321 C ARG A 83 6.201 -1.163 8.917 1.00 0.00 C ATOM 1322 O ARG A 83 6.972 -0.505 9.615 1.00 0.00 O ATOM 1323 CB ARG A 83 6.010 -3.648 8.701 1.00 0.00 C ATOM 1324 CG ARG A 83 5.314 -4.934 9.113 1.00 0.00 C ATOM 1325 CD ARG A 83 6.223 -6.140 8.938 1.00 0.00 C ATOM 1326 NE ARG A 83 7.387 -6.081 9.818 1.00 0.00 N ATOM 1327 CZ ARG A 83 8.527 -6.717 9.574 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.656 -7.457 8.481 1.00 0.00 N ATOM 1329 NH2 ARG A 83 9.541 -6.614 10.423 1.00 0.00 N ATOM 0 H ARG A 83 3.674 -2.680 8.515 1.00 0.00 H new ATOM 0 HA ARG A 83 5.788 -2.520 10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.857 -3.488 7.634 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.083 -3.760 8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.000 -4.862 10.154 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.411 -5.068 8.517 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.660 -7.051 9.142 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.555 -6.196 7.901 1.00 0.00 H new ATOM 0 HE ARG A 83 7.321 -5.520 10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.879 -7.539 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.533 -7.945 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.446 -6.046 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.416 -7.103 10.234 1.00 0.00 H new ATOM 1343 N VAL A 84 5.907 -0.839 7.661 1.00 0.00 N ATOM 1344 CA VAL A 84 6.487 0.334 7.018 1.00 0.00 C ATOM 1345 C VAL A 84 6.101 1.611 7.756 1.00 0.00 C ATOM 1346 O VAL A 84 6.865 2.576 7.789 1.00 0.00 O ATOM 1347 CB VAL A 84 6.040 0.448 5.549 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.606 -0.701 4.728 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.522 0.483 5.456 1.00 0.00 C ATOM 0 H VAL A 84 5.271 -1.373 7.069 1.00 0.00 H new ATOM 0 HA VAL A 84 7.570 0.211 7.051 1.00 0.00 H new ATOM 0 HB VAL A 84 6.428 1.381 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.280 -0.604 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.695 -0.676 4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.250 -1.648 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.223 0.564 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.110 -0.432 5.881 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.143 1.343 6.009 1.00 0.00 H new ATOM 1359 N ARG A 85 4.911 1.610 8.347 1.00 0.00 N ATOM 1360 CA ARG A 85 4.423 2.770 9.084 1.00 0.00 C ATOM 1361 C ARG A 85 5.080 2.857 10.458 1.00 0.00 C ATOM 1362 O ARG A 85 5.480 3.934 10.899 1.00 0.00 O ATOM 1363 CB ARG A 85 2.902 2.699 9.238 1.00 0.00 C ATOM 1364 CG ARG A 85 2.448 1.844 10.409 1.00 0.00 C ATOM 1365 CD ARG A 85 0.933 1.719 10.452 1.00 0.00 C ATOM 1366 NE ARG A 85 0.464 1.177 11.725 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.768 1.351 12.189 1.00 0.00 C ATOM 1368 NH1 ARG A 85 -1.652 2.048 11.487 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.119 0.828 13.356 1.00 0.00 N ATOM 0 H ARG A 85 4.267 0.819 8.330 1.00 0.00 H new ATOM 0 HA ARG A 85 4.684 3.665 8.519 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.510 3.709 9.363 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.470 2.301 8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.894 0.852 10.332 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.805 2.282 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.484 2.698 10.288 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.599 1.075 9.639 1.00 0.00 H new ATOM 0 HE ARG A 85 1.119 0.635 12.289 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.386 2.452 10.589 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.598 2.180 11.845 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.442 0.291 13.899 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.066 0.963 13.711 1.00 0.00 H new