USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 THR OG1 : rot 120:sc= 0.28 USER MOD Set 1.2: B 57 SER OG : rot 180:sc= 0.257 USER MOD Set 2.1: A 270 SER OG : rot 77:sc= -0.914! USER MOD Set 2.2: B 6 LYS NZ :NH3+ -145:sc= -3.99! (180deg=-7.01!) USER MOD Set 2.3: B 68 HIS : no HD1:sc= -1.42! K(o=-6.3!,f=-3) USER MOD Single : A 265 LYS NZ :NH3+ 169:sc= -0.0302 (180deg=-0.194) USER MOD Single : A 272 LYS NZ :NH3+ 137:sc= -3.47! (180deg=-5.84!) USER MOD Single : B 1 MET CE :methyl -164:sc= -1.37 (180deg=-1.88) USER MOD Single : B 1 MET N :NH3+ 166:sc= -0.0334 (180deg=-0.303) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 7 THR OG1 : rot 24:sc= -1.19! USER MOD Single : B 11 LYS NZ :NH3+ -130:sc= -1.5 (180deg=-3.11!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -9:sc= 1.45 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 ASN : amide:sc= -2.64! C(o=-2.6!,f=-6.6!) USER MOD Single : B 27 LYS NZ :NH3+ 168:sc= -0.035 (180deg=-0.173) USER MOD Single : B 28 SER OG : rot 66:sc= 0.261 USER MOD Single : B 29 LYS NZ :NH3+ -164:sc= -0.0639 (180deg=-0.367) USER MOD Single : B 31 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.8) USER MOD Single : B 33 LYS NZ :NH3+ -166:sc= -0.0409 (180deg=-0.292) USER MOD Single : B 40 GLN : amide:sc= -2.2! C(o=-2.2!,f=-5.6!) USER MOD Single : B 41 GLN : amide:sc= -0.611 K(o=-0.61,f=-3.1!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -5.41! K(o=-5.4!,f=-4) USER MOD Single : B 59 TYR OH : rot 180:sc= 0 USER MOD Single : B 60 ASN : amide:sc= -0.38 K(o=-0.38,f=-1.8) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ -147:sc= -3.46! (180deg=-6.16!) USER MOD Single : B 65 SER OG : rot 130:sc= -0.529 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N GLU A 259 15.393 -1.171 2.142 1.00 0.00 N ATOM 66 CA GLU A 259 13.939 -1.145 2.256 1.00 0.00 C ATOM 67 C GLU A 259 13.429 0.265 2.542 1.00 0.00 C ATOM 68 O GLU A 259 12.370 0.665 2.056 1.00 0.00 O ATOM 69 CB GLU A 259 13.485 -2.090 3.371 1.00 0.00 C ATOM 70 CG GLU A 259 11.992 -2.036 3.637 1.00 0.00 C ATOM 71 CD GLU A 259 11.584 -2.842 4.853 1.00 0.00 C ATOM 72 OE1 GLU A 259 12.133 -2.587 5.945 1.00 0.00 O ATOM 73 OE2 GLU A 259 10.707 -3.719 4.717 1.00 0.00 O ATOM 0 HA GLU A 259 13.523 -1.473 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 259 13.763 -3.111 3.108 1.00 0.00 H new ATOM 0 HB3 GLU A 259 14.019 -1.841 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 259 11.689 -0.998 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 259 11.458 -2.409 2.763 1.00 0.00 H new ATOM 80 N GLU A 260 14.178 1.001 3.355 1.00 0.00 N ATOM 81 CA GLU A 260 13.801 2.358 3.741 1.00 0.00 C ATOM 82 C GLU A 260 13.596 3.277 2.537 1.00 0.00 C ATOM 83 O GLU A 260 12.610 4.010 2.481 1.00 0.00 O ATOM 84 CB GLU A 260 14.861 2.954 4.671 1.00 0.00 C ATOM 85 CG GLU A 260 15.017 2.201 5.985 1.00 0.00 C ATOM 86 CD GLU A 260 13.777 2.271 6.858 1.00 0.00 C ATOM 87 OE1 GLU A 260 12.801 2.941 6.458 1.00 0.00 O ATOM 88 OE2 GLU A 260 13.784 1.658 7.946 1.00 0.00 O ATOM 0 H GLU A 260 15.056 0.679 3.763 1.00 0.00 H new ATOM 0 HA GLU A 260 12.846 2.286 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 260 15.820 2.966 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 260 14.602 3.991 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 260 15.248 1.157 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 260 15.865 2.610 6.534 1.00 0.00 H new ATOM 95 N GLU A 261 14.528 3.258 1.586 1.00 0.00 N ATOM 96 CA GLU A 261 14.419 4.123 0.411 1.00 0.00 C ATOM 97 C GLU A 261 13.136 3.839 -0.371 1.00 0.00 C ATOM 98 O GLU A 261 12.474 4.766 -0.835 1.00 0.00 O ATOM 99 CB GLU A 261 15.644 3.986 -0.500 1.00 0.00 C ATOM 100 CG GLU A 261 15.715 2.671 -1.252 1.00 0.00 C ATOM 101 CD GLU A 261 16.919 2.588 -2.171 1.00 0.00 C ATOM 102 OE1 GLU A 261 17.028 3.434 -3.084 1.00 0.00 O ATOM 103 OE2 GLU A 261 17.752 1.679 -1.978 1.00 0.00 O ATOM 0 H GLU A 261 15.356 2.663 1.603 1.00 0.00 H new ATOM 0 HA GLU A 261 14.378 5.151 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 261 15.640 4.804 -1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 261 16.545 4.096 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 261 15.751 1.849 -0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 261 14.805 2.543 -1.839 1.00 0.00 H new ATOM 110 N LEU A 262 12.780 2.560 -0.509 1.00 0.00 N ATOM 111 CA LEU A 262 11.564 2.184 -1.230 1.00 0.00 C ATOM 112 C LEU A 262 10.322 2.685 -0.500 1.00 0.00 C ATOM 113 O LEU A 262 9.432 3.285 -1.106 1.00 0.00 O ATOM 114 CB LEU A 262 11.473 0.662 -1.413 1.00 0.00 C ATOM 115 CG LEU A 262 12.246 0.082 -2.603 1.00 0.00 C ATOM 116 CD1 LEU A 262 11.866 0.797 -3.891 1.00 0.00 C ATOM 117 CD2 LEU A 262 13.746 0.156 -2.367 1.00 0.00 C ATOM 0 H LEU A 262 13.312 1.774 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 262 11.613 2.652 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 262 11.834 0.184 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 262 10.423 0.391 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 262 11.973 -0.969 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 262 12.426 0.370 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 262 10.798 0.677 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 262 12.101 1.858 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 262 14.271 -0.262 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 262 14.042 1.196 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 262 14.002 -0.413 -1.473 1.00 0.00 H new ATOM 129 N ILE A 263 10.269 2.434 0.804 1.00 0.00 N ATOM 130 CA ILE A 263 9.139 2.856 1.623 1.00 0.00 C ATOM 131 C ILE A 263 8.923 4.366 1.538 1.00 0.00 C ATOM 132 O ILE A 263 7.839 4.822 1.177 1.00 0.00 O ATOM 133 CB ILE A 263 9.338 2.444 3.101 1.00 0.00 C ATOM 134 CG1 ILE A 263 8.970 0.973 3.306 1.00 0.00 C ATOM 135 CG2 ILE A 263 8.525 3.336 4.032 1.00 0.00 C ATOM 136 CD1 ILE A 263 9.208 0.473 4.716 1.00 0.00 C ATOM 0 H ILE A 263 10.998 1.939 1.317 1.00 0.00 H new ATOM 0 HA ILE A 263 8.255 2.354 1.231 1.00 0.00 H new ATOM 0 HB ILE A 263 10.392 2.572 3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 263 7.919 0.833 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 263 9.549 0.363 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 263 8.683 3.024 5.064 1.00 0.00 H new ATOM 0 HG22 ILE A 263 8.843 4.372 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 263 7.467 3.250 3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 263 8.924 -0.577 4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 263 10.263 0.580 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 263 8.608 1.056 5.415 1.00 0.00 H new ATOM 148 N ARG A 264 9.954 5.136 1.877 1.00 0.00 N ATOM 149 CA ARG A 264 9.858 6.591 1.843 1.00 0.00 C ATOM 150 C ARG A 264 9.571 7.096 0.436 1.00 0.00 C ATOM 151 O ARG A 264 8.818 8.049 0.260 1.00 0.00 O ATOM 152 CB ARG A 264 11.135 7.236 2.370 1.00 0.00 C ATOM 153 CG ARG A 264 12.367 6.923 1.535 1.00 0.00 C ATOM 154 CD ARG A 264 13.612 7.598 2.089 1.00 0.00 C ATOM 155 NE ARG A 264 13.943 7.126 3.430 1.00 0.00 N ATOM 156 CZ ARG A 264 15.010 7.531 4.113 1.00 0.00 C ATOM 157 NH1 ARG A 264 15.848 8.412 3.583 1.00 0.00 N ATOM 158 NH2 ARG A 264 15.242 7.054 5.328 1.00 0.00 N ATOM 0 H ARG A 264 10.861 4.778 2.177 1.00 0.00 H new ATOM 0 HA ARG A 264 9.027 6.873 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 264 10.997 8.317 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 264 11.305 6.901 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 264 12.521 5.844 1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 264 12.203 7.250 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 264 14.453 7.410 1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 264 13.459 8.677 2.113 1.00 0.00 H new ATOM 0 HE ARG A 264 13.321 6.447 3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 264 15.675 8.782 2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 264 16.665 8.720 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 264 14.602 6.375 5.740 1.00 0.00 H new ATOM 0 HH22 ARG A 264 16.061 7.366 5.850 1.00 0.00 H new ATOM 172 N LYS A 265 10.170 6.454 -0.563 1.00 0.00 N ATOM 173 CA LYS A 265 9.954 6.854 -1.948 1.00 0.00 C ATOM 174 C LYS A 265 8.462 6.866 -2.240 1.00 0.00 C ATOM 175 O LYS A 265 7.920 7.843 -2.763 1.00 0.00 O ATOM 176 CB LYS A 265 10.666 5.892 -2.898 1.00 0.00 C ATOM 177 CG LYS A 265 10.516 6.259 -4.365 1.00 0.00 C ATOM 178 CD LYS A 265 11.216 5.257 -5.271 1.00 0.00 C ATOM 179 CE LYS A 265 10.666 3.851 -5.082 1.00 0.00 C ATOM 180 NZ LYS A 265 9.205 3.784 -5.355 1.00 0.00 N ATOM 0 H LYS A 265 10.802 5.663 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 265 10.363 7.853 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 265 11.726 5.865 -2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 265 10.275 4.886 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 265 9.458 6.305 -4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 265 10.929 7.253 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 265 11.094 5.559 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 265 12.286 5.261 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 265 11.191 3.164 -5.746 1.00 0.00 H new ATOM 0 HE3 LYS A 265 10.860 3.520 -4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 265 8.905 2.789 -5.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 265 8.687 4.269 -4.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 265 9.000 4.247 -6.263 1.00 0.00 H new ATOM 194 N ALA A 266 7.799 5.779 -1.860 1.00 0.00 N ATOM 195 CA ALA A 266 6.364 5.662 -2.041 1.00 0.00 C ATOM 196 C ALA A 266 5.655 6.700 -1.180 1.00 0.00 C ATOM 197 O ALA A 266 4.611 7.234 -1.558 1.00 0.00 O ATOM 198 CB ALA A 266 5.897 4.255 -1.693 1.00 0.00 C ATOM 0 H ALA A 266 8.237 4.967 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 266 6.117 5.847 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 266 4.818 4.184 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 266 6.396 3.535 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 266 6.142 4.037 -0.653 1.00 0.00 H new ATOM 204 N ILE A 267 6.246 6.989 -0.020 1.00 0.00 N ATOM 205 CA ILE A 267 5.691 7.972 0.901 1.00 0.00 C ATOM 206 C ILE A 267 5.628 9.351 0.251 1.00 0.00 C ATOM 207 O ILE A 267 4.607 10.038 0.324 1.00 0.00 O ATOM 208 CB ILE A 267 6.511 8.058 2.208 1.00 0.00 C ATOM 209 CG1 ILE A 267 6.399 6.744 2.986 1.00 0.00 C ATOM 210 CG2 ILE A 267 6.039 9.229 3.062 1.00 0.00 C ATOM 211 CD1 ILE A 267 7.197 6.725 4.272 1.00 0.00 C ATOM 0 H ILE A 267 7.111 6.553 0.301 1.00 0.00 H new ATOM 0 HA ILE A 267 4.682 7.642 1.147 1.00 0.00 H new ATOM 0 HB ILE A 267 7.558 8.225 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 267 5.350 6.558 3.217 1.00 0.00 H new ATOM 0 HG13 ILE A 267 6.735 5.926 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 267 6.629 9.272 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 267 6.163 10.158 2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 267 4.987 9.095 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 267 7.067 5.762 4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 267 8.253 6.879 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 267 6.846 7.521 4.930 1.00 0.00 H new ATOM 223 N GLU A 268 6.724 9.746 -0.389 1.00 0.00 N ATOM 224 CA GLU A 268 6.796 11.036 -1.059 1.00 0.00 C ATOM 225 C GLU A 268 5.790 11.101 -2.200 1.00 0.00 C ATOM 226 O GLU A 268 5.102 12.106 -2.376 1.00 0.00 O ATOM 227 CB GLU A 268 8.209 11.283 -1.589 1.00 0.00 C ATOM 228 CG GLU A 268 8.378 12.636 -2.263 1.00 0.00 C ATOM 229 CD GLU A 268 8.107 13.793 -1.322 1.00 0.00 C ATOM 230 OE1 GLU A 268 8.811 13.902 -0.297 1.00 0.00 O ATOM 231 OE2 GLU A 268 7.189 14.591 -1.611 1.00 0.00 O ATOM 0 H GLU A 268 7.575 9.188 -0.457 1.00 0.00 H new ATOM 0 HA GLU A 268 6.552 11.813 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 268 8.916 11.207 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 268 8.464 10.498 -2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 268 9.392 12.719 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 268 7.702 12.700 -3.116 1.00 0.00 H new ATOM 238 N LEU A 269 5.709 10.019 -2.971 1.00 0.00 N ATOM 239 CA LEU A 269 4.782 9.950 -4.096 1.00 0.00 C ATOM 240 C LEU A 269 3.351 10.210 -3.636 1.00 0.00 C ATOM 241 O LEU A 269 2.605 10.946 -4.283 1.00 0.00 O ATOM 242 CB LEU A 269 4.871 8.581 -4.773 1.00 0.00 C ATOM 243 CG LEU A 269 6.247 8.225 -5.342 1.00 0.00 C ATOM 244 CD1 LEU A 269 6.236 6.819 -5.920 1.00 0.00 C ATOM 245 CD2 LEU A 269 6.663 9.234 -6.402 1.00 0.00 C ATOM 0 H LEU A 269 6.273 9.180 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 269 5.061 10.722 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 269 4.585 7.817 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 269 4.141 8.545 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 269 6.974 8.259 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 269 7.222 6.582 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 269 5.982 6.105 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 269 5.497 6.760 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 269 7.643 8.965 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 269 5.934 9.232 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 269 6.710 10.229 -5.959 1.00 0.00 H new ATOM 257 N SER A 270 2.976 9.601 -2.516 1.00 0.00 N ATOM 258 CA SER A 270 1.635 9.766 -1.967 1.00 0.00 C ATOM 259 C SER A 270 1.392 11.212 -1.546 1.00 0.00 C ATOM 260 O SER A 270 0.342 11.784 -1.833 1.00 0.00 O ATOM 261 CB SER A 270 1.434 8.838 -0.768 1.00 0.00 C ATOM 262 OG SER A 270 1.623 7.483 -1.132 1.00 0.00 O ATOM 0 H SER A 270 3.582 8.988 -1.970 1.00 0.00 H new ATOM 0 HA SER A 270 0.918 9.506 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 270 2.134 9.106 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 270 0.430 8.972 -0.365 1.00 0.00 H new ATOM 0 HG SER A 270 2.582 7.297 -1.213 1.00 0.00 H new ATOM 268 N LEU A 271 2.371 11.792 -0.857 1.00 0.00 N ATOM 269 CA LEU A 271 2.266 13.170 -0.386 1.00 0.00 C ATOM 270 C LEU A 271 2.048 14.142 -1.542 1.00 0.00 C ATOM 271 O LEU A 271 1.270 15.089 -1.425 1.00 0.00 O ATOM 272 CB LEU A 271 3.525 13.561 0.391 1.00 0.00 C ATOM 273 CG LEU A 271 3.774 12.763 1.673 1.00 0.00 C ATOM 274 CD1 LEU A 271 5.065 13.213 2.338 1.00 0.00 C ATOM 275 CD2 LEU A 271 2.602 12.913 2.632 1.00 0.00 C ATOM 0 H LEU A 271 3.246 11.329 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 271 1.400 13.229 0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 271 4.388 13.444 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 271 3.461 14.619 0.647 1.00 0.00 H new ATOM 0 HG LEU A 271 3.870 11.710 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 271 5.226 12.635 3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 271 5.900 13.055 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 271 4.996 14.272 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 271 2.797 12.339 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 271 2.475 13.964 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 271 1.693 12.543 2.157 1.00 0.00 H new ATOM 287 N LYS A 272 2.743 13.910 -2.651 1.00 0.00 N ATOM 288 CA LYS A 272 2.627 14.775 -3.821 1.00 0.00 C ATOM 289 C LYS A 272 1.178 14.885 -4.287 1.00 0.00 C ATOM 290 O LYS A 272 0.675 15.985 -4.515 1.00 0.00 O ATOM 291 CB LYS A 272 3.504 14.249 -4.960 1.00 0.00 C ATOM 292 CG LYS A 272 4.989 14.235 -4.630 1.00 0.00 C ATOM 293 CD LYS A 272 5.517 15.625 -4.290 1.00 0.00 C ATOM 294 CE LYS A 272 5.497 16.560 -5.493 1.00 0.00 C ATOM 295 NZ LYS A 272 4.112 16.921 -5.906 1.00 0.00 N ATOM 0 H LYS A 272 3.392 13.131 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 272 2.969 15.770 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 272 3.187 13.237 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 272 3.343 14.865 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 272 5.166 13.565 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 272 5.544 13.835 -5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 272 4.915 16.054 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 272 6.537 15.542 -3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 272 6.051 17.468 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 272 6.011 16.084 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 272 4.068 17.937 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 272 3.848 16.375 -6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 272 3.451 16.703 -5.133 1.00 0.00 H new ATOM 396 N MET B 1 -15.437 -2.234 -3.141 1.00 0.00 N ATOM 397 CA MET B 1 -14.697 -1.161 -3.854 1.00 0.00 C ATOM 398 C MET B 1 -13.383 -1.682 -4.428 1.00 0.00 C ATOM 399 O MET B 1 -12.648 -2.416 -3.763 1.00 0.00 O ATOM 400 CB MET B 1 -14.434 -0.015 -2.875 1.00 0.00 C ATOM 401 CG MET B 1 -13.649 -0.432 -1.642 1.00 0.00 C ATOM 402 SD MET B 1 -13.365 0.934 -0.501 1.00 0.00 S ATOM 403 CE MET B 1 -12.428 2.057 -1.536 1.00 0.00 C ATOM 0 H1 MET B 1 -16.194 -1.811 -2.567 1.00 0.00 H new ATOM 0 H2 MET B 1 -15.853 -2.888 -3.834 1.00 0.00 H new ATOM 0 H3 MET B 1 -14.783 -2.755 -2.523 1.00 0.00 H new ATOM 0 HA MET B 1 -15.299 -0.807 -4.691 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.889 0.775 -3.392 1.00 0.00 H new ATOM 0 HB3 MET B 1 -15.388 0.409 -2.561 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.188 -1.226 -1.125 1.00 0.00 H new ATOM 0 HG3 MET B 1 -12.690 -0.847 -1.951 1.00 0.00 H new ATOM 0 HE1 MET B 1 -11.939 2.805 -0.912 1.00 0.00 H new ATOM 0 HE2 MET B 1 -11.674 1.498 -2.090 1.00 0.00 H new ATOM 0 HE3 MET B 1 -13.100 2.552 -2.237 1.00 0.00 H new ATOM 415 N GLN B 2 -13.096 -1.301 -5.670 1.00 0.00 N ATOM 416 CA GLN B 2 -11.872 -1.729 -6.338 1.00 0.00 C ATOM 417 C GLN B 2 -10.751 -0.715 -6.131 1.00 0.00 C ATOM 418 O GLN B 2 -10.908 0.462 -6.444 1.00 0.00 O ATOM 419 CB GLN B 2 -12.121 -1.916 -7.837 1.00 0.00 C ATOM 420 CG GLN B 2 -13.218 -2.918 -8.157 1.00 0.00 C ATOM 421 CD GLN B 2 -13.433 -3.090 -9.649 1.00 0.00 C ATOM 422 OE1 GLN B 2 -13.731 -2.130 -10.360 1.00 0.00 O ATOM 423 NE2 GLN B 2 -13.284 -4.319 -10.131 1.00 0.00 N ATOM 0 H GLN B 2 -13.695 -0.697 -6.233 1.00 0.00 H new ATOM 0 HA GLN B 2 -11.568 -2.680 -5.900 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -12.383 -0.953 -8.275 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -11.195 -2.241 -8.312 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -12.964 -3.882 -7.717 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -14.149 -2.592 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -13.036 -5.086 -9.505 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -13.417 -4.496 -11.127 1.00 0.00 H new ATOM 432 N ILE B 3 -9.616 -1.179 -5.620 1.00 0.00 N ATOM 433 CA ILE B 3 -8.467 -0.307 -5.394 1.00 0.00 C ATOM 434 C ILE B 3 -7.317 -0.687 -6.316 1.00 0.00 C ATOM 435 O ILE B 3 -7.019 -1.869 -6.494 1.00 0.00 O ATOM 436 CB ILE B 3 -7.981 -0.358 -3.933 1.00 0.00 C ATOM 437 CG1 ILE B 3 -7.651 -1.798 -3.528 1.00 0.00 C ATOM 438 CG2 ILE B 3 -9.033 0.237 -3.007 1.00 0.00 C ATOM 439 CD1 ILE B 3 -7.094 -1.923 -2.126 1.00 0.00 C ATOM 0 H ILE B 3 -9.466 -2.152 -5.354 1.00 0.00 H new ATOM 0 HA ILE B 3 -8.795 0.710 -5.611 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.071 0.236 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -8.554 -2.404 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -6.929 -2.208 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -8.677 0.195 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.217 1.275 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.959 -0.332 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -6.884 -2.971 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -6.173 -1.345 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -7.823 -1.544 -1.410 1.00 0.00 H new ATOM 451 N PHE B 4 -6.676 0.314 -6.909 1.00 0.00 N ATOM 452 CA PHE B 4 -5.566 0.060 -7.817 1.00 0.00 C ATOM 453 C PHE B 4 -4.247 -0.066 -7.069 1.00 0.00 C ATOM 454 O PHE B 4 -3.659 0.928 -6.641 1.00 0.00 O ATOM 455 CB PHE B 4 -5.462 1.156 -8.876 1.00 0.00 C ATOM 456 CG PHE B 4 -5.716 0.659 -10.272 1.00 0.00 C ATOM 457 CD1 PHE B 4 -5.043 -0.452 -10.764 1.00 0.00 C ATOM 458 CD2 PHE B 4 -6.624 1.305 -11.094 1.00 0.00 C ATOM 459 CE1 PHE B 4 -5.274 -0.905 -12.048 1.00 0.00 C ATOM 460 CE2 PHE B 4 -6.859 0.855 -12.380 1.00 0.00 C ATOM 461 CZ PHE B 4 -6.183 -0.252 -12.857 1.00 0.00 C ATOM 0 H PHE B 4 -6.904 1.300 -6.779 1.00 0.00 H new ATOM 0 HA PHE B 4 -5.769 -0.890 -8.312 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -6.176 1.946 -8.643 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.468 1.602 -8.831 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -4.331 -0.967 -10.136 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -7.155 2.171 -10.726 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -4.744 -1.770 -12.419 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -7.570 1.368 -13.011 1.00 0.00 H new ATOM 0 HZ PHE B 4 -6.365 -0.606 -13.861 1.00 0.00 H new ATOM 471 N VAL B 5 -3.784 -1.299 -6.935 1.00 0.00 N ATOM 472 CA VAL B 5 -2.527 -1.586 -6.264 1.00 0.00 C ATOM 473 C VAL B 5 -1.367 -1.421 -7.241 1.00 0.00 C ATOM 474 O VAL B 5 -1.417 -1.937 -8.356 1.00 0.00 O ATOM 475 CB VAL B 5 -2.533 -3.019 -5.702 1.00 0.00 C ATOM 476 CG1 VAL B 5 -1.327 -3.266 -4.816 1.00 0.00 C ATOM 477 CG2 VAL B 5 -3.824 -3.279 -4.939 1.00 0.00 C ATOM 0 H VAL B 5 -4.267 -2.126 -7.287 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.406 -0.885 -5.438 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.476 -3.714 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -1.359 -4.286 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -0.415 -3.124 -5.395 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -1.339 -2.565 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -3.816 -4.296 -4.546 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -3.908 -2.572 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.674 -3.156 -5.610 1.00 0.00 H new ATOM 487 N LYS B 6 -0.332 -0.694 -6.834 1.00 0.00 N ATOM 488 CA LYS B 6 0.818 -0.467 -7.706 1.00 0.00 C ATOM 489 C LYS B 6 2.129 -0.529 -6.933 1.00 0.00 C ATOM 490 O LYS B 6 2.269 0.080 -5.872 1.00 0.00 O ATOM 491 CB LYS B 6 0.692 0.893 -8.400 1.00 0.00 C ATOM 492 CG LYS B 6 1.859 1.220 -9.320 1.00 0.00 C ATOM 493 CD LYS B 6 1.717 2.597 -9.955 1.00 0.00 C ATOM 494 CE LYS B 6 1.923 3.716 -8.943 1.00 0.00 C ATOM 495 NZ LYS B 6 0.855 3.746 -7.907 1.00 0.00 N ATOM 0 H LYS B 6 -0.264 -0.255 -5.916 1.00 0.00 H new ATOM 0 HA LYS B 6 0.828 -1.260 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.232 0.912 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS B 6 0.609 1.672 -7.642 1.00 0.00 H new ATOM 0 HG2 LYS B 6 2.790 1.176 -8.754 1.00 0.00 H new ATOM 0 HG3 LYS B 6 1.926 0.465 -10.103 1.00 0.00 H new ATOM 0 HD2 LYS B 6 2.442 2.700 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS B 6 0.727 2.690 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.892 3.591 -8.459 1.00 0.00 H new ATOM 0 HE3 LYS B 6 1.948 4.673 -9.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.657 4.732 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -0.009 3.310 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.170 3.217 -7.069 1.00 0.00 H new ATOM 509 N THR B 7 3.091 -1.265 -7.482 1.00 0.00 N ATOM 510 CA THR B 7 4.400 -1.405 -6.858 1.00 0.00 C ATOM 511 C THR B 7 5.328 -0.276 -7.287 1.00 0.00 C ATOM 512 O THR B 7 5.522 -0.047 -8.481 1.00 0.00 O ATOM 513 CB THR B 7 5.053 -2.750 -7.220 1.00 0.00 C ATOM 514 OG1 THR B 7 5.277 -2.823 -8.633 1.00 0.00 O ATOM 515 CG2 THR B 7 4.174 -3.911 -6.782 1.00 0.00 C ATOM 0 H THR B 7 2.987 -1.774 -8.360 1.00 0.00 H new ATOM 0 HA THR B 7 4.246 -1.363 -5.780 1.00 0.00 H new ATOM 0 HB THR B 7 6.007 -2.818 -6.698 1.00 0.00 H new ATOM 0 HG1 THR B 7 5.326 -1.917 -9.004 1.00 0.00 H new ATOM 0 HG21 THR B 7 4.655 -4.852 -7.048 1.00 0.00 H new ATOM 0 HG22 THR B 7 4.028 -3.870 -5.703 1.00 0.00 H new ATOM 0 HG23 THR B 7 3.207 -3.844 -7.281 1.00 0.00 H new ATOM 563 N LYS B 11 4.551 -1.156 -12.036 1.00 0.00 N ATOM 564 CA LYS B 11 3.577 -2.238 -12.134 1.00 0.00 C ATOM 565 C LYS B 11 2.242 -1.832 -11.516 1.00 0.00 C ATOM 566 O LYS B 11 2.164 -1.543 -10.321 1.00 0.00 O ATOM 567 CB LYS B 11 4.107 -3.499 -11.448 1.00 0.00 C ATOM 568 CG LYS B 11 3.269 -4.740 -11.718 1.00 0.00 C ATOM 569 CD LYS B 11 3.332 -5.145 -13.182 1.00 0.00 C ATOM 570 CE LYS B 11 2.448 -6.347 -13.470 1.00 0.00 C ATOM 571 NZ LYS B 11 1.013 -6.053 -13.210 1.00 0.00 N ATOM 0 HA LYS B 11 3.417 -2.449 -13.191 1.00 0.00 H new ATOM 0 HB2 LYS B 11 5.128 -3.681 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS B 11 4.149 -3.327 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS B 11 3.623 -5.562 -11.096 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.233 -4.550 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS B 11 3.021 -4.307 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.362 -5.378 -13.451 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.574 -6.650 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS B 11 2.765 -7.187 -12.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 0.608 -6.801 -12.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 0.929 -5.137 -12.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 0.497 -6.014 -14.112 1.00 0.00 H new ATOM 585 N THR B 12 1.195 -1.821 -12.337 1.00 0.00 N ATOM 586 CA THR B 12 -0.142 -1.457 -11.877 1.00 0.00 C ATOM 587 C THR B 12 -1.081 -2.661 -11.943 1.00 0.00 C ATOM 588 O THR B 12 -1.047 -3.428 -12.905 1.00 0.00 O ATOM 589 CB THR B 12 -0.725 -0.306 -12.720 1.00 0.00 C ATOM 590 OG1 THR B 12 0.193 0.793 -12.745 1.00 0.00 O ATOM 591 CG2 THR B 12 -2.056 0.160 -12.155 1.00 0.00 C ATOM 0 H THR B 12 1.247 -2.061 -13.327 1.00 0.00 H new ATOM 0 HA THR B 12 -0.054 -1.125 -10.842 1.00 0.00 H new ATOM 0 HB THR B 12 -0.886 -0.674 -13.733 1.00 0.00 H new ATOM 0 HG1 THR B 12 -0.182 1.521 -13.284 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.447 0.973 -12.767 1.00 0.00 H new ATOM 0 HG22 THR B 12 -2.763 -0.669 -12.159 1.00 0.00 H new ATOM 0 HG23 THR B 12 -1.914 0.512 -11.133 1.00 0.00 H new ATOM 599 N ILE B 13 -1.909 -2.833 -10.909 1.00 0.00 N ATOM 600 CA ILE B 13 -2.840 -3.963 -10.851 1.00 0.00 C ATOM 601 C ILE B 13 -4.101 -3.617 -10.065 1.00 0.00 C ATOM 602 O ILE B 13 -4.038 -2.948 -9.037 1.00 0.00 O ATOM 603 CB ILE B 13 -2.197 -5.189 -10.171 1.00 0.00 C ATOM 604 CG1 ILE B 13 -0.834 -5.499 -10.785 1.00 0.00 C ATOM 605 CG2 ILE B 13 -3.120 -6.396 -10.277 1.00 0.00 C ATOM 606 CD1 ILE B 13 -0.093 -6.608 -10.075 1.00 0.00 C ATOM 0 H ILE B 13 -1.954 -2.208 -10.104 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.095 -4.192 -11.886 1.00 0.00 H new ATOM 0 HB ILE B 13 -2.047 -4.957 -9.117 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -0.969 -5.774 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -0.223 -4.596 -10.770 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.654 -7.254 -9.793 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -4.068 -6.173 -9.787 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -3.300 -6.625 -11.327 1.00 0.00 H new ATOM 0 HD11 ILE B 13 0.867 -6.775 -10.564 1.00 0.00 H new ATOM 0 HD12 ILE B 13 0.074 -6.327 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -0.684 -7.523 -10.113 1.00 0.00 H new ATOM 618 N THR B 14 -5.242 -4.103 -10.544 1.00 0.00 N ATOM 619 CA THR B 14 -6.516 -3.873 -9.873 1.00 0.00 C ATOM 620 C THR B 14 -6.742 -4.930 -8.793 1.00 0.00 C ATOM 621 O THR B 14 -6.407 -6.100 -8.986 1.00 0.00 O ATOM 622 CB THR B 14 -7.693 -3.906 -10.869 1.00 0.00 C ATOM 623 OG1 THR B 14 -7.495 -2.926 -11.895 1.00 0.00 O ATOM 624 CG2 THR B 14 -9.013 -3.639 -10.161 1.00 0.00 C ATOM 0 H THR B 14 -5.310 -4.660 -11.396 1.00 0.00 H new ATOM 0 HA THR B 14 -6.473 -2.883 -9.419 1.00 0.00 H new ATOM 0 HB THR B 14 -7.731 -4.900 -11.315 1.00 0.00 H new ATOM 0 HG1 THR B 14 -6.731 -2.359 -11.662 1.00 0.00 H new ATOM 0 HG21 THR B 14 -9.827 -3.668 -10.886 1.00 0.00 H new ATOM 0 HG22 THR B 14 -9.178 -4.401 -9.399 1.00 0.00 H new ATOM 0 HG23 THR B 14 -8.981 -2.656 -9.690 1.00 0.00 H new ATOM 632 N LEU B 15 -7.310 -4.524 -7.659 1.00 0.00 N ATOM 633 CA LEU B 15 -7.569 -5.459 -6.567 1.00 0.00 C ATOM 634 C LEU B 15 -8.839 -5.076 -5.815 1.00 0.00 C ATOM 635 O LEU B 15 -8.926 -4.007 -5.213 1.00 0.00 O ATOM 636 CB LEU B 15 -6.355 -5.516 -5.618 1.00 0.00 C ATOM 637 CG LEU B 15 -6.383 -6.620 -4.547 1.00 0.00 C ATOM 638 CD1 LEU B 15 -7.427 -6.331 -3.478 1.00 0.00 C ATOM 639 CD2 LEU B 15 -6.639 -7.977 -5.187 1.00 0.00 C ATOM 0 H LEU B 15 -7.597 -3.563 -7.473 1.00 0.00 H new ATOM 0 HA LEU B 15 -7.722 -6.453 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.455 -5.645 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.267 -4.553 -5.115 1.00 0.00 H new ATOM 0 HG LEU B 15 -5.406 -6.639 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.420 -7.131 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.197 -5.383 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -8.413 -6.272 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.656 -8.746 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.599 -7.960 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.846 -8.198 -5.902 1.00 0.00 H new ATOM 651 N GLU B 16 -9.823 -5.971 -5.863 1.00 0.00 N ATOM 652 CA GLU B 16 -11.104 -5.758 -5.200 1.00 0.00 C ATOM 653 C GLU B 16 -11.018 -6.064 -3.709 1.00 0.00 C ATOM 654 O GLU B 16 -10.424 -7.062 -3.302 1.00 0.00 O ATOM 655 CB GLU B 16 -12.184 -6.631 -5.849 1.00 0.00 C ATOM 656 CG GLU B 16 -13.507 -6.652 -5.093 1.00 0.00 C ATOM 657 CD GLU B 16 -14.177 -5.291 -5.020 1.00 0.00 C ATOM 658 OE1 GLU B 16 -13.621 -4.322 -5.574 1.00 0.00 O ATOM 659 OE2 GLU B 16 -15.262 -5.198 -4.408 1.00 0.00 O ATOM 0 H GLU B 16 -9.754 -6.859 -6.360 1.00 0.00 H new ATOM 0 HA GLU B 16 -11.368 -4.707 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.363 -6.274 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -11.809 -7.651 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.183 -7.357 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.334 -7.019 -4.081 1.00 0.00 H new ATOM 666 N VAL B 17 -11.628 -5.203 -2.903 1.00 0.00 N ATOM 667 CA VAL B 17 -11.636 -5.384 -1.456 1.00 0.00 C ATOM 668 C VAL B 17 -12.716 -4.529 -0.799 1.00 0.00 C ATOM 669 O VAL B 17 -12.843 -3.337 -1.083 1.00 0.00 O ATOM 670 CB VAL B 17 -10.266 -5.043 -0.836 1.00 0.00 C ATOM 671 CG1 VAL B 17 -9.903 -3.588 -1.088 1.00 0.00 C ATOM 672 CG2 VAL B 17 -10.263 -5.352 0.654 1.00 0.00 C ATOM 0 H VAL B 17 -12.124 -4.372 -3.227 1.00 0.00 H new ATOM 0 HA VAL B 17 -11.852 -6.436 -1.270 1.00 0.00 H new ATOM 0 HB VAL B 17 -9.510 -5.665 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -8.933 -3.372 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -9.857 -3.405 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.659 -2.942 -0.642 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -9.288 -5.105 1.075 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -11.033 -4.760 1.150 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -10.466 -6.412 0.806 1.00 0.00 H new ATOM 682 N GLU B 18 -13.497 -5.151 0.080 1.00 0.00 N ATOM 683 CA GLU B 18 -14.572 -4.457 0.780 1.00 0.00 C ATOM 684 C GLU B 18 -14.016 -3.420 1.751 1.00 0.00 C ATOM 685 O GLU B 18 -13.047 -3.681 2.465 1.00 0.00 O ATOM 686 CB GLU B 18 -15.448 -5.458 1.536 1.00 0.00 C ATOM 687 CG GLU B 18 -16.122 -6.481 0.634 1.00 0.00 C ATOM 688 CD GLU B 18 -17.003 -7.448 1.402 1.00 0.00 C ATOM 689 OE1 GLU B 18 -17.096 -7.313 2.641 1.00 0.00 O ATOM 690 OE2 GLU B 18 -17.602 -8.339 0.765 1.00 0.00 O ATOM 0 H GLU B 18 -13.404 -6.137 0.324 1.00 0.00 H new ATOM 0 HA GLU B 18 -15.178 -3.941 0.035 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -14.836 -5.981 2.271 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -16.213 -4.913 2.089 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -16.724 -5.961 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -15.359 -7.042 0.094 1.00 0.00 H new ATOM 697 N SER B 19 -14.638 -2.246 1.773 1.00 0.00 N ATOM 698 CA SER B 19 -14.211 -1.169 2.658 1.00 0.00 C ATOM 699 C SER B 19 -14.298 -1.602 4.118 1.00 0.00 C ATOM 700 O SER B 19 -13.427 -1.280 4.926 1.00 0.00 O ATOM 701 CB SER B 19 -15.069 0.078 2.431 1.00 0.00 C ATOM 702 OG SER B 19 -14.683 1.128 3.300 1.00 0.00 O ATOM 0 H SER B 19 -15.441 -2.016 1.187 1.00 0.00 H new ATOM 0 HA SER B 19 -13.172 -0.932 2.428 1.00 0.00 H new ATOM 0 HB2 SER B 19 -14.974 0.405 1.396 1.00 0.00 H new ATOM 0 HB3 SER B 19 -16.119 -0.165 2.593 1.00 0.00 H new ATOM 0 HG SER B 19 -15.245 1.913 3.134 1.00 0.00 H new ATOM 708 N SER B 20 -15.358 -2.334 4.447 1.00 0.00 N ATOM 709 CA SER B 20 -15.568 -2.816 5.808 1.00 0.00 C ATOM 710 C SER B 20 -14.392 -3.667 6.277 1.00 0.00 C ATOM 711 O SER B 20 -13.954 -3.560 7.423 1.00 0.00 O ATOM 712 CB SER B 20 -16.862 -3.628 5.887 1.00 0.00 C ATOM 713 OG SER B 20 -16.809 -4.756 5.030 1.00 0.00 O ATOM 0 H SER B 20 -16.087 -2.607 3.788 1.00 0.00 H new ATOM 0 HA SER B 20 -15.647 -1.949 6.464 1.00 0.00 H new ATOM 0 HB2 SER B 20 -17.028 -3.955 6.914 1.00 0.00 H new ATOM 0 HB3 SER B 20 -17.708 -2.998 5.612 1.00 0.00 H new ATOM 0 HG SER B 20 -17.647 -5.260 5.100 1.00 0.00 H new ATOM 719 N ASP B 21 -13.887 -4.514 5.384 1.00 0.00 N ATOM 720 CA ASP B 21 -12.763 -5.388 5.705 1.00 0.00 C ATOM 721 C ASP B 21 -11.549 -4.580 6.155 1.00 0.00 C ATOM 722 O ASP B 21 -11.195 -3.575 5.539 1.00 0.00 O ATOM 723 CB ASP B 21 -12.396 -6.247 4.492 1.00 0.00 C ATOM 724 CG ASP B 21 -13.535 -7.143 4.046 1.00 0.00 C ATOM 725 OD1 ASP B 21 -14.612 -7.098 4.679 1.00 0.00 O ATOM 726 OD2 ASP B 21 -13.351 -7.891 3.064 1.00 0.00 O ATOM 0 H ASP B 21 -14.239 -4.613 4.432 1.00 0.00 H new ATOM 0 HA ASP B 21 -13.066 -6.037 6.526 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -12.105 -5.598 3.666 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -11.529 -6.861 4.735 1.00 0.00 H new ATOM 731 N THR B 22 -10.917 -5.029 7.236 1.00 0.00 N ATOM 732 CA THR B 22 -9.742 -4.353 7.776 1.00 0.00 C ATOM 733 C THR B 22 -8.559 -4.438 6.816 1.00 0.00 C ATOM 734 O THR B 22 -8.647 -5.066 5.761 1.00 0.00 O ATOM 735 CB THR B 22 -9.327 -4.951 9.133 1.00 0.00 C ATOM 736 OG1 THR B 22 -9.008 -6.339 8.979 1.00 0.00 O ATOM 737 CG2 THR B 22 -10.441 -4.793 10.156 1.00 0.00 C ATOM 0 H THR B 22 -11.200 -5.860 7.756 1.00 0.00 H new ATOM 0 HA THR B 22 -10.018 -3.307 7.912 1.00 0.00 H new ATOM 0 HB THR B 22 -8.448 -4.413 9.489 1.00 0.00 H new ATOM 0 HG1 THR B 22 -8.743 -6.712 9.846 1.00 0.00 H new ATOM 0 HG21 THR B 22 -10.125 -5.223 11.107 1.00 0.00 H new ATOM 0 HG22 THR B 22 -10.663 -3.734 10.292 1.00 0.00 H new ATOM 0 HG23 THR B 22 -11.334 -5.309 9.804 1.00 0.00 H new ATOM 745 N ILE B 23 -7.453 -3.802 7.194 1.00 0.00 N ATOM 746 CA ILE B 23 -6.247 -3.803 6.371 1.00 0.00 C ATOM 747 C ILE B 23 -5.702 -5.217 6.190 1.00 0.00 C ATOM 748 O ILE B 23 -5.336 -5.608 5.081 1.00 0.00 O ATOM 749 CB ILE B 23 -5.149 -2.907 6.981 1.00 0.00 C ATOM 750 CG1 ILE B 23 -5.625 -1.453 7.056 1.00 0.00 C ATOM 751 CG2 ILE B 23 -3.862 -3.008 6.172 1.00 0.00 C ATOM 752 CD1 ILE B 23 -5.975 -0.852 5.710 1.00 0.00 C ATOM 0 H ILE B 23 -7.367 -3.279 8.066 1.00 0.00 H new ATOM 0 HA ILE B 23 -6.528 -3.403 5.397 1.00 0.00 H new ATOM 0 HB ILE B 23 -4.944 -3.256 7.993 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -6.499 -1.400 7.705 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.846 -0.849 7.521 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -3.100 -2.369 6.619 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -3.513 -4.041 6.170 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -4.050 -2.687 5.148 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -6.303 0.178 5.846 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -5.097 -0.871 5.064 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -6.777 -1.430 5.251 1.00 0.00 H new ATOM 764 N ASP B 24 -5.649 -5.979 7.282 1.00 0.00 N ATOM 765 CA ASP B 24 -5.148 -7.350 7.232 1.00 0.00 C ATOM 766 C ASP B 24 -5.841 -8.139 6.126 1.00 0.00 C ATOM 767 O ASP B 24 -5.191 -8.841 5.349 1.00 0.00 O ATOM 768 CB ASP B 24 -5.358 -8.047 8.577 1.00 0.00 C ATOM 769 CG ASP B 24 -4.576 -7.391 9.697 1.00 0.00 C ATOM 770 OD1 ASP B 24 -3.333 -7.326 9.593 1.00 0.00 O ATOM 771 OD2 ASP B 24 -5.205 -6.946 10.679 1.00 0.00 O ATOM 0 H ASP B 24 -5.946 -5.671 8.208 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.080 -7.311 7.017 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -6.419 -8.039 8.825 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -5.059 -9.092 8.492 1.00 0.00 H new ATOM 776 N ASN B 25 -7.164 -8.011 6.052 1.00 0.00 N ATOM 777 CA ASN B 25 -7.940 -8.706 5.033 1.00 0.00 C ATOM 778 C ASN B 25 -7.482 -8.279 3.643 1.00 0.00 C ATOM 779 O ASN B 25 -7.336 -9.108 2.742 1.00 0.00 O ATOM 780 CB ASN B 25 -9.434 -8.418 5.209 1.00 0.00 C ATOM 781 CG ASN B 25 -10.295 -9.201 4.236 1.00 0.00 C ATOM 782 OD1 ASN B 25 -10.176 -9.049 3.021 1.00 0.00 O ATOM 783 ND2 ASN B 25 -11.168 -10.048 4.770 1.00 0.00 N ATOM 0 H ASN B 25 -7.718 -7.434 6.685 1.00 0.00 H new ATOM 0 HA ASN B 25 -7.778 -9.778 5.144 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -9.730 -8.662 6.229 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -9.614 -7.352 5.072 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -11.773 -10.604 4.166 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -11.233 -10.142 5.784 1.00 0.00 H new ATOM 790 N VAL B 26 -7.243 -6.980 3.482 1.00 0.00 N ATOM 791 CA VAL B 26 -6.786 -6.439 2.209 1.00 0.00 C ATOM 792 C VAL B 26 -5.491 -7.117 1.783 1.00 0.00 C ATOM 793 O VAL B 26 -5.325 -7.490 0.622 1.00 0.00 O ATOM 794 CB VAL B 26 -6.556 -4.917 2.288 1.00 0.00 C ATOM 795 CG1 VAL B 26 -6.135 -4.369 0.933 1.00 0.00 C ATOM 796 CG2 VAL B 26 -7.806 -4.212 2.793 1.00 0.00 C ATOM 0 H VAL B 26 -7.359 -6.284 4.219 1.00 0.00 H new ATOM 0 HA VAL B 26 -7.567 -6.633 1.474 1.00 0.00 H new ATOM 0 HB VAL B 26 -5.750 -4.727 2.997 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.977 -3.293 1.009 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -5.209 -4.850 0.618 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -6.916 -4.570 0.200 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -7.624 -3.138 2.842 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -8.635 -4.409 2.113 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -8.057 -4.583 3.787 1.00 0.00 H new ATOM 806 N LYS B 27 -4.579 -7.281 2.738 1.00 0.00 N ATOM 807 CA LYS B 27 -3.301 -7.926 2.470 1.00 0.00 C ATOM 808 C LYS B 27 -3.518 -9.373 2.051 1.00 0.00 C ATOM 809 O LYS B 27 -2.820 -9.885 1.178 1.00 0.00 O ATOM 810 CB LYS B 27 -2.394 -7.863 3.702 1.00 0.00 C ATOM 811 CG LYS B 27 -2.112 -6.447 4.179 1.00 0.00 C ATOM 812 CD LYS B 27 -1.449 -5.611 3.095 1.00 0.00 C ATOM 813 CE LYS B 27 -1.217 -4.183 3.560 1.00 0.00 C ATOM 814 NZ LYS B 27 -0.313 -4.123 4.743 1.00 0.00 N ATOM 0 H LYS B 27 -4.703 -6.976 3.703 1.00 0.00 H new ATOM 0 HA LYS B 27 -2.812 -7.393 1.655 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.857 -8.425 4.513 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -1.449 -8.355 3.472 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -3.045 -5.973 4.485 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -1.468 -6.480 5.058 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -0.497 -6.063 2.816 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -2.075 -5.607 2.202 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -0.787 -3.601 2.745 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -2.173 -3.723 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -0.018 -3.139 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -0.816 -4.476 5.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 0.526 -4.712 4.569 1.00 0.00 H new ATOM 828 N SER B 28 -4.497 -10.023 2.675 1.00 0.00 N ATOM 829 CA SER B 28 -4.816 -11.410 2.356 1.00 0.00 C ATOM 830 C SER B 28 -5.178 -11.541 0.881 1.00 0.00 C ATOM 831 O SER B 28 -4.678 -12.423 0.181 1.00 0.00 O ATOM 832 CB SER B 28 -5.974 -11.902 3.226 1.00 0.00 C ATOM 833 OG SER B 28 -5.652 -11.813 4.603 1.00 0.00 O ATOM 0 H SER B 28 -5.081 -9.612 3.403 1.00 0.00 H new ATOM 0 HA SER B 28 -3.939 -12.024 2.560 1.00 0.00 H new ATOM 0 HB2 SER B 28 -6.865 -11.310 3.019 1.00 0.00 H new ATOM 0 HB3 SER B 28 -6.211 -12.935 2.971 1.00 0.00 H new ATOM 0 HG SER B 28 -5.550 -10.871 4.855 1.00 0.00 H new ATOM 839 N LYS B 29 -6.043 -10.644 0.413 1.00 0.00 N ATOM 840 CA LYS B 29 -6.465 -10.646 -0.982 1.00 0.00 C ATOM 841 C LYS B 29 -5.269 -10.419 -1.900 1.00 0.00 C ATOM 842 O LYS B 29 -5.090 -11.127 -2.890 1.00 0.00 O ATOM 843 CB LYS B 29 -7.518 -9.563 -1.224 1.00 0.00 C ATOM 844 CG LYS B 29 -8.808 -9.782 -0.451 1.00 0.00 C ATOM 845 CD LYS B 29 -9.805 -8.666 -0.710 1.00 0.00 C ATOM 846 CE LYS B 29 -11.122 -8.915 0.006 1.00 0.00 C ATOM 847 NZ LYS B 29 -11.760 -10.186 -0.433 1.00 0.00 N ATOM 0 H LYS B 29 -6.464 -9.908 0.980 1.00 0.00 H new ATOM 0 HA LYS B 29 -6.902 -11.619 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -7.100 -8.594 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -7.746 -9.521 -2.289 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -9.247 -10.738 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -8.590 -9.837 0.616 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -9.384 -7.717 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.984 -8.578 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -10.950 -8.948 1.082 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -11.801 -8.084 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.758 -10.193 -0.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -11.702 -10.264 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -11.266 -10.991 0.003 1.00 0.00 H new ATOM 861 N ILE B 30 -4.450 -9.428 -1.556 1.00 0.00 N ATOM 862 CA ILE B 30 -3.264 -9.106 -2.339 1.00 0.00 C ATOM 863 C ILE B 30 -2.310 -10.297 -2.384 1.00 0.00 C ATOM 864 O ILE B 30 -1.697 -10.578 -3.413 1.00 0.00 O ATOM 865 CB ILE B 30 -2.526 -7.878 -1.762 1.00 0.00 C ATOM 866 CG1 ILE B 30 -3.432 -6.644 -1.817 1.00 0.00 C ATOM 867 CG2 ILE B 30 -1.229 -7.630 -2.521 1.00 0.00 C ATOM 868 CD1 ILE B 30 -2.792 -5.392 -1.250 1.00 0.00 C ATOM 0 H ILE B 30 -4.588 -8.834 -0.738 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.595 -8.870 -3.350 1.00 0.00 H new ATOM 0 HB ILE B 30 -2.276 -8.077 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.716 -6.459 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -4.350 -6.853 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -0.722 -6.761 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.584 -8.504 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -1.452 -7.447 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -3.493 -4.560 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -2.533 -5.557 -0.204 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -1.890 -5.157 -1.815 1.00 0.00 H new ATOM 880 N GLN B 31 -2.199 -10.993 -1.257 1.00 0.00 N ATOM 881 CA GLN B 31 -1.331 -12.158 -1.152 1.00 0.00 C ATOM 882 C GLN B 31 -1.756 -13.241 -2.136 1.00 0.00 C ATOM 883 O GLN B 31 -0.927 -13.830 -2.822 1.00 0.00 O ATOM 884 CB GLN B 31 -1.363 -12.715 0.272 1.00 0.00 C ATOM 885 CG GLN B 31 -0.519 -13.966 0.454 1.00 0.00 C ATOM 886 CD GLN B 31 -0.594 -14.537 1.860 1.00 0.00 C ATOM 887 OE1 GLN B 31 0.069 -15.526 2.173 1.00 0.00 O ATOM 888 NE2 GLN B 31 -1.407 -13.924 2.716 1.00 0.00 N ATOM 0 H GLN B 31 -2.703 -10.768 -0.399 1.00 0.00 H new ATOM 0 HA GLN B 31 -0.315 -11.846 -1.394 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -1.013 -11.947 0.962 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -2.395 -12.940 0.542 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -0.846 -14.724 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN B 31 0.519 -13.734 0.218 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -1.940 -13.107 2.418 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -1.498 -14.271 3.671 1.00 0.00 H new ATOM 897 N ASP B 32 -3.054 -13.502 -2.191 1.00 0.00 N ATOM 898 CA ASP B 32 -3.590 -14.519 -3.086 1.00 0.00 C ATOM 899 C ASP B 32 -3.385 -14.128 -4.548 1.00 0.00 C ATOM 900 O ASP B 32 -3.072 -14.971 -5.390 1.00 0.00 O ATOM 901 CB ASP B 32 -5.080 -14.731 -2.807 1.00 0.00 C ATOM 902 CG ASP B 32 -5.677 -15.868 -3.617 1.00 0.00 C ATOM 903 OD1 ASP B 32 -4.923 -16.536 -4.356 1.00 0.00 O ATOM 904 OD2 ASP B 32 -6.900 -16.093 -3.506 1.00 0.00 O ATOM 0 H ASP B 32 -3.756 -13.024 -1.627 1.00 0.00 H new ATOM 0 HA ASP B 32 -3.052 -15.449 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -5.220 -14.935 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -5.621 -13.811 -3.029 1.00 0.00 H new ATOM 909 N LYS B 33 -3.582 -12.847 -4.845 1.00 0.00 N ATOM 910 CA LYS B 33 -3.440 -12.342 -6.208 1.00 0.00 C ATOM 911 C LYS B 33 -1.993 -12.403 -6.698 1.00 0.00 C ATOM 912 O LYS B 33 -1.660 -13.195 -7.579 1.00 0.00 O ATOM 913 CB LYS B 33 -3.952 -10.901 -6.286 1.00 0.00 C ATOM 914 CG LYS B 33 -3.967 -10.330 -7.695 1.00 0.00 C ATOM 915 CD LYS B 33 -4.921 -11.096 -8.597 1.00 0.00 C ATOM 916 CE LYS B 33 -4.965 -10.504 -9.996 1.00 0.00 C ATOM 917 NZ LYS B 33 -5.428 -9.089 -9.987 1.00 0.00 N ATOM 0 H LYS B 33 -3.841 -12.138 -4.159 1.00 0.00 H new ATOM 0 HA LYS B 33 -4.035 -12.984 -6.857 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -4.962 -10.862 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -3.328 -10.269 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.261 -9.281 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -2.961 -10.366 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.611 -12.140 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -5.921 -11.083 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -3.973 -10.558 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -5.630 -11.099 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.671 -8.797 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.267 -9.002 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.670 -8.478 -9.621 1.00 0.00 H new ATOM 931 N GLU B 34 -1.142 -11.547 -6.137 1.00 0.00 N ATOM 932 CA GLU B 34 0.264 -11.488 -6.535 1.00 0.00 C ATOM 933 C GLU B 34 1.057 -12.693 -6.033 1.00 0.00 C ATOM 934 O GLU B 34 1.943 -13.192 -6.727 1.00 0.00 O ATOM 935 CB GLU B 34 0.910 -10.198 -6.026 1.00 0.00 C ATOM 936 CG GLU B 34 0.242 -8.935 -6.547 1.00 0.00 C ATOM 937 CD GLU B 34 0.924 -7.671 -6.059 1.00 0.00 C ATOM 938 OE1 GLU B 34 0.982 -7.466 -4.828 1.00 0.00 O ATOM 939 OE2 GLU B 34 1.399 -6.887 -6.907 1.00 0.00 O ATOM 0 H GLU B 34 -1.401 -10.885 -5.406 1.00 0.00 H new ATOM 0 HA GLU B 34 0.287 -11.504 -7.625 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.880 -10.192 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.961 -10.189 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.247 -8.949 -7.637 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -0.802 -8.925 -6.233 1.00 0.00 H new ATOM 946 N GLY B 35 0.752 -13.143 -4.822 1.00 0.00 N ATOM 947 CA GLY B 35 1.469 -14.270 -4.252 1.00 0.00 C ATOM 948 C GLY B 35 2.674 -13.819 -3.454 1.00 0.00 C ATOM 949 O GLY B 35 3.770 -14.359 -3.605 1.00 0.00 O ATOM 0 H GLY B 35 0.024 -12.750 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY B 35 0.799 -14.840 -3.609 1.00 0.00 H new ATOM 0 HA3 GLY B 35 1.790 -14.939 -5.050 1.00 0.00 H new ATOM 953 N ILE B 36 2.465 -12.814 -2.608 1.00 0.00 N ATOM 954 CA ILE B 36 3.532 -12.264 -1.782 1.00 0.00 C ATOM 955 C ILE B 36 3.127 -12.247 -0.307 1.00 0.00 C ATOM 956 O ILE B 36 2.007 -11.863 0.029 1.00 0.00 O ATOM 957 CB ILE B 36 3.878 -10.824 -2.220 1.00 0.00 C ATOM 958 CG1 ILE B 36 4.111 -10.762 -3.734 1.00 0.00 C ATOM 959 CG2 ILE B 36 5.099 -10.313 -1.469 1.00 0.00 C ATOM 960 CD1 ILE B 36 5.228 -11.661 -4.223 1.00 0.00 C ATOM 0 H ILE B 36 1.560 -12.363 -2.477 1.00 0.00 H new ATOM 0 HA ILE B 36 4.405 -12.904 -1.911 1.00 0.00 H new ATOM 0 HB ILE B 36 3.033 -10.180 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE B 36 3.188 -11.036 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.337 -9.733 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE B 36 5.326 -9.297 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE B 36 4.895 -10.316 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE B 36 5.952 -10.959 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.330 -11.560 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.163 -11.374 -3.742 1.00 0.00 H new ATOM 0 HD13 ILE B 36 4.996 -12.697 -3.976 1.00 0.00 H new ATOM 972 N PRO B 37 4.035 -12.663 0.598 1.00 0.00 N ATOM 973 CA PRO B 37 3.758 -12.688 2.041 1.00 0.00 C ATOM 974 C PRO B 37 3.272 -11.335 2.561 1.00 0.00 C ATOM 975 O PRO B 37 3.807 -10.292 2.187 1.00 0.00 O ATOM 976 CB PRO B 37 5.113 -13.041 2.660 1.00 0.00 C ATOM 977 CG PRO B 37 5.848 -13.760 1.584 1.00 0.00 C ATOM 978 CD PRO B 37 5.396 -13.143 0.291 1.00 0.00 C ATOM 0 HA PRO B 37 2.965 -13.393 2.290 1.00 0.00 H new ATOM 0 HB2 PRO B 37 5.649 -12.146 2.975 1.00 0.00 H new ATOM 0 HB3 PRO B 37 4.993 -13.668 3.544 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.926 -13.656 1.711 1.00 0.00 H new ATOM 0 HG3 PRO B 37 5.626 -14.827 1.606 1.00 0.00 H new ATOM 0 HD2 PRO B 37 6.050 -12.327 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO B 37 5.392 -13.870 -0.521 1.00 0.00 H new ATOM 986 N PRO B 38 2.242 -11.335 3.430 1.00 0.00 N ATOM 987 CA PRO B 38 1.681 -10.099 3.995 1.00 0.00 C ATOM 988 C PRO B 38 2.714 -9.281 4.765 1.00 0.00 C ATOM 989 O PRO B 38 2.829 -8.071 4.571 1.00 0.00 O ATOM 990 CB PRO B 38 0.588 -10.596 4.948 1.00 0.00 C ATOM 991 CG PRO B 38 0.262 -11.973 4.481 1.00 0.00 C ATOM 992 CD PRO B 38 1.539 -12.532 3.924 1.00 0.00 C ATOM 0 HA PRO B 38 1.316 -9.435 3.211 1.00 0.00 H new ATOM 0 HB2 PRO B 38 0.938 -10.602 5.980 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -0.289 -9.950 4.913 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -0.107 -12.587 5.303 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -0.520 -11.953 3.722 1.00 0.00 H new ATOM 0 HD2 PRO B 38 2.117 -13.053 4.687 1.00 0.00 H new ATOM 0 HD3 PRO B 38 1.350 -13.247 3.124 1.00 0.00 H new ATOM 1000 N ASP B 39 3.457 -9.945 5.644 1.00 0.00 N ATOM 1001 CA ASP B 39 4.473 -9.277 6.449 1.00 0.00 C ATOM 1002 C ASP B 39 5.576 -8.690 5.572 1.00 0.00 C ATOM 1003 O ASP B 39 6.045 -7.577 5.813 1.00 0.00 O ATOM 1004 CB ASP B 39 5.079 -10.254 7.458 1.00 0.00 C ATOM 1005 CG ASP B 39 6.115 -9.598 8.351 1.00 0.00 C ATOM 1006 OD1 ASP B 39 5.756 -8.649 9.079 1.00 0.00 O ATOM 1007 OD2 ASP B 39 7.285 -10.035 8.323 1.00 0.00 O ATOM 0 H ASP B 39 3.374 -10.947 5.817 1.00 0.00 H new ATOM 0 HA ASP B 39 3.989 -8.460 6.984 1.00 0.00 H new ATOM 0 HB2 ASP B 39 4.285 -10.673 8.076 1.00 0.00 H new ATOM 0 HB3 ASP B 39 5.539 -11.085 6.923 1.00 0.00 H new ATOM 1012 N GLN B 40 5.995 -9.448 4.564 1.00 0.00 N ATOM 1013 CA GLN B 40 7.054 -9.006 3.662 1.00 0.00 C ATOM 1014 C GLN B 40 6.684 -7.704 2.955 1.00 0.00 C ATOM 1015 O GLN B 40 7.417 -6.718 3.034 1.00 0.00 O ATOM 1016 CB GLN B 40 7.352 -10.093 2.626 1.00 0.00 C ATOM 1017 CG GLN B 40 8.432 -9.705 1.629 1.00 0.00 C ATOM 1018 CD GLN B 40 8.692 -10.787 0.599 1.00 0.00 C ATOM 1019 OE1 GLN B 40 7.791 -11.189 -0.136 1.00 0.00 O ATOM 1020 NE2 GLN B 40 9.930 -11.263 0.537 1.00 0.00 N ATOM 0 H GLN B 40 5.618 -10.371 4.351 1.00 0.00 H new ATOM 0 HA GLN B 40 7.944 -8.821 4.263 1.00 0.00 H new ATOM 0 HB2 GLN B 40 7.657 -11.002 3.144 1.00 0.00 H new ATOM 0 HB3 GLN B 40 6.436 -10.327 2.084 1.00 0.00 H new ATOM 0 HG2 GLN B 40 8.138 -8.787 1.120 1.00 0.00 H new ATOM 0 HG3 GLN B 40 9.356 -9.490 2.166 1.00 0.00 H new ATOM 0 HE21 GLN B 40 10.647 -10.901 1.165 1.00 0.00 H new ATOM 0 HE22 GLN B 40 10.164 -11.990 -0.139 1.00 0.00 H new ATOM 1029 N GLN B 41 5.553 -7.707 2.257 1.00 0.00 N ATOM 1030 CA GLN B 41 5.104 -6.523 1.530 1.00 0.00 C ATOM 1031 C GLN B 41 4.438 -5.514 2.459 1.00 0.00 C ATOM 1032 O GLN B 41 3.616 -5.875 3.301 1.00 0.00 O ATOM 1033 CB GLN B 41 4.137 -6.915 0.410 1.00 0.00 C ATOM 1034 CG GLN B 41 2.854 -7.566 0.902 1.00 0.00 C ATOM 1035 CD GLN B 41 1.904 -7.905 -0.229 1.00 0.00 C ATOM 1036 OE1 GLN B 41 1.485 -7.030 -0.986 1.00 0.00 O ATOM 1037 NE2 GLN B 41 1.556 -9.181 -0.348 1.00 0.00 N ATOM 0 H GLN B 41 4.932 -8.512 2.179 1.00 0.00 H new ATOM 0 HA GLN B 41 5.986 -6.053 1.095 1.00 0.00 H new ATOM 0 HB2 GLN B 41 3.883 -6.025 -0.165 1.00 0.00 H new ATOM 0 HB3 GLN B 41 4.643 -7.601 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN B 41 3.099 -8.475 1.451 1.00 0.00 H new ATOM 0 HG3 GLN B 41 2.356 -6.896 1.602 1.00 0.00 H new ATOM 0 HE21 GLN B 41 1.928 -9.874 0.302 1.00 0.00 H new ATOM 0 HE22 GLN B 41 0.917 -9.468 -1.089 1.00 0.00 H new ATOM 1046 N ARG B 42 4.789 -4.243 2.288 1.00 0.00 N ATOM 1047 CA ARG B 42 4.213 -3.176 3.098 1.00 0.00 C ATOM 1048 C ARG B 42 3.464 -2.188 2.211 1.00 0.00 C ATOM 1049 O ARG B 42 4.066 -1.499 1.386 1.00 0.00 O ATOM 1050 CB ARG B 42 5.308 -2.453 3.884 1.00 0.00 C ATOM 1051 CG ARG B 42 6.062 -3.355 4.848 1.00 0.00 C ATOM 1052 CD ARG B 42 7.154 -2.595 5.584 1.00 0.00 C ATOM 1053 NE ARG B 42 7.879 -3.450 6.520 1.00 0.00 N ATOM 1054 CZ ARG B 42 8.880 -3.025 7.285 1.00 0.00 C ATOM 1055 NH1 ARG B 42 9.277 -1.761 7.228 1.00 0.00 N ATOM 1056 NH2 ARG B 42 9.486 -3.866 8.112 1.00 0.00 N ATOM 0 H ARG B 42 5.469 -3.928 1.596 1.00 0.00 H new ATOM 0 HA ARG B 42 3.510 -3.617 3.805 1.00 0.00 H new ATOM 0 HB2 ARG B 42 6.016 -2.012 3.183 1.00 0.00 H new ATOM 0 HB3 ARG B 42 4.860 -1.632 4.443 1.00 0.00 H new ATOM 0 HG2 ARG B 42 5.365 -3.782 5.569 1.00 0.00 H new ATOM 0 HG3 ARG B 42 6.503 -4.187 4.300 1.00 0.00 H new ATOM 0 HD2 ARG B 42 7.853 -2.174 4.861 1.00 0.00 H new ATOM 0 HD3 ARG B 42 6.712 -1.758 6.125 1.00 0.00 H new ATOM 0 HE ARG B 42 7.602 -4.429 6.591 1.00 0.00 H new ATOM 0 HH11 ARG B 42 8.814 -1.109 6.595 1.00 0.00 H new ATOM 0 HH12 ARG B 42 10.045 -1.441 7.817 1.00 0.00 H new ATOM 0 HH21 ARG B 42 9.184 -4.839 8.161 1.00 0.00 H new ATOM 0 HH22 ARG B 42 10.254 -3.540 8.699 1.00 0.00 H new ATOM 1070 N LEU B 43 2.146 -2.132 2.377 1.00 0.00 N ATOM 1071 CA LEU B 43 1.317 -1.236 1.581 1.00 0.00 C ATOM 1072 C LEU B 43 1.234 0.149 2.219 1.00 0.00 C ATOM 1073 O LEU B 43 0.777 0.304 3.355 1.00 0.00 O ATOM 1074 CB LEU B 43 -0.082 -1.832 1.404 1.00 0.00 C ATOM 1075 CG LEU B 43 -1.019 -1.052 0.479 1.00 0.00 C ATOM 1076 CD1 LEU B 43 -0.380 -0.848 -0.887 1.00 0.00 C ATOM 1077 CD2 LEU B 43 -2.347 -1.779 0.336 1.00 0.00 C ATOM 0 H LEU B 43 1.631 -2.695 3.054 1.00 0.00 H new ATOM 0 HA LEU B 43 1.779 -1.124 0.600 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.020 -2.846 1.017 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.551 -1.911 2.385 1.00 0.00 H new ATOM 0 HG LEU B 43 -1.201 -0.073 0.923 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.063 -0.291 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU B 43 0.549 -0.289 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.167 -1.817 -1.338 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -3.003 -1.212 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -2.176 -2.770 -0.085 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -2.815 -1.877 1.315 1.00 0.00 H new ATOM 1089 N ILE B 44 1.690 1.151 1.473 1.00 0.00 N ATOM 1090 CA ILE B 44 1.687 2.530 1.941 1.00 0.00 C ATOM 1091 C ILE B 44 0.614 3.359 1.238 1.00 0.00 C ATOM 1092 O ILE B 44 0.352 3.183 0.043 1.00 0.00 O ATOM 1093 CB ILE B 44 3.063 3.194 1.721 1.00 0.00 C ATOM 1094 CG1 ILE B 44 4.160 2.380 2.413 1.00 0.00 C ATOM 1095 CG2 ILE B 44 3.052 4.627 2.237 1.00 0.00 C ATOM 1096 CD1 ILE B 44 5.553 2.937 2.208 1.00 0.00 C ATOM 0 H ILE B 44 2.069 1.030 0.534 1.00 0.00 H new ATOM 0 HA ILE B 44 1.467 2.500 3.008 1.00 0.00 H new ATOM 0 HB ILE B 44 3.272 3.218 0.651 1.00 0.00 H new ATOM 0 HG12 ILE B 44 3.949 2.337 3.482 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.129 1.356 2.041 1.00 0.00 H new ATOM 0 HG21 ILE B 44 4.030 5.080 2.074 1.00 0.00 H new ATOM 0 HG22 ILE B 44 2.293 5.200 1.704 1.00 0.00 H new ATOM 0 HG23 ILE B 44 2.825 4.628 3.303 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.276 2.308 2.727 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.785 2.954 1.143 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.602 3.951 2.606 1.00 0.00 H new ATOM 1108 N PHE B 45 0.008 4.270 1.992 1.00 0.00 N ATOM 1109 CA PHE B 45 -1.030 5.147 1.469 1.00 0.00 C ATOM 1110 C PHE B 45 -0.999 6.488 2.195 1.00 0.00 C ATOM 1111 O PHE B 45 -0.854 6.537 3.417 1.00 0.00 O ATOM 1112 CB PHE B 45 -2.409 4.499 1.628 1.00 0.00 C ATOM 1113 CG PHE B 45 -3.542 5.376 1.172 1.00 0.00 C ATOM 1114 CD1 PHE B 45 -3.521 5.968 -0.081 1.00 0.00 C ATOM 1115 CD2 PHE B 45 -4.629 5.608 2.001 1.00 0.00 C ATOM 1116 CE1 PHE B 45 -4.562 6.775 -0.499 1.00 0.00 C ATOM 1117 CE2 PHE B 45 -5.672 6.414 1.588 1.00 0.00 C ATOM 1118 CZ PHE B 45 -5.639 6.998 0.336 1.00 0.00 C ATOM 0 H PHE B 45 0.222 4.420 2.978 1.00 0.00 H new ATOM 0 HA PHE B 45 -0.841 5.312 0.408 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -2.431 3.568 1.062 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -2.561 4.239 2.676 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.681 5.797 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -4.661 5.154 2.980 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.533 7.231 -1.478 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -6.513 6.588 2.243 1.00 0.00 H new ATOM 0 HZ PHE B 45 -6.454 7.628 0.011 1.00 0.00 H new ATOM 1128 N ALA B 46 -1.123 7.574 1.435 1.00 0.00 N ATOM 1129 CA ALA B 46 -1.097 8.915 2.008 1.00 0.00 C ATOM 1130 C ALA B 46 0.163 9.121 2.841 1.00 0.00 C ATOM 1131 O ALA B 46 0.132 9.766 3.889 1.00 0.00 O ATOM 1132 CB ALA B 46 -2.340 9.156 2.853 1.00 0.00 C ATOM 0 H ALA B 46 -1.242 7.550 0.422 1.00 0.00 H new ATOM 0 HA ALA B 46 -1.088 9.637 1.191 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -2.305 10.161 3.273 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.229 9.054 2.230 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.378 8.426 3.661 1.00 0.00 H new ATOM 1138 N GLY B 47 1.270 8.561 2.364 1.00 0.00 N ATOM 1139 CA GLY B 47 2.532 8.683 3.068 1.00 0.00 C ATOM 1140 C GLY B 47 2.486 8.075 4.457 1.00 0.00 C ATOM 1141 O GLY B 47 3.137 8.570 5.377 1.00 0.00 O ATOM 0 H GLY B 47 1.315 8.023 1.499 1.00 0.00 H new ATOM 0 HA2 GLY B 47 3.316 8.196 2.488 1.00 0.00 H new ATOM 0 HA3 GLY B 47 2.800 9.737 3.145 1.00 0.00 H new ATOM 1145 N LYS B 48 1.720 6.995 4.605 1.00 0.00 N ATOM 1146 CA LYS B 48 1.594 6.312 5.891 1.00 0.00 C ATOM 1147 C LYS B 48 1.257 4.837 5.693 1.00 0.00 C ATOM 1148 O LYS B 48 0.334 4.495 4.954 1.00 0.00 O ATOM 1149 CB LYS B 48 0.509 6.969 6.752 1.00 0.00 C ATOM 1150 CG LYS B 48 0.813 8.407 7.146 1.00 0.00 C ATOM 1151 CD LYS B 48 -0.296 9.004 8.000 1.00 0.00 C ATOM 1152 CE LYS B 48 -0.443 8.267 9.323 1.00 0.00 C ATOM 1153 NZ LYS B 48 -1.522 8.850 10.167 1.00 0.00 N ATOM 0 H LYS B 48 1.178 6.575 3.850 1.00 0.00 H new ATOM 0 HA LYS B 48 2.554 6.393 6.401 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -0.435 6.945 6.208 1.00 0.00 H new ATOM 0 HB3 LYS B 48 0.371 6.377 7.657 1.00 0.00 H new ATOM 0 HG2 LYS B 48 1.754 8.443 7.695 1.00 0.00 H new ATOM 0 HG3 LYS B 48 0.945 9.010 6.248 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -0.083 10.056 8.191 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.238 8.964 7.454 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -0.660 7.216 9.131 1.00 0.00 H new ATOM 0 HE3 LYS B 48 0.502 8.303 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -1.590 8.320 11.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -1.303 9.846 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -2.428 8.792 9.660 1.00 0.00 H new ATOM 1167 N GLN B 49 2.007 3.969 6.365 1.00 0.00 N ATOM 1168 CA GLN B 49 1.785 2.530 6.271 1.00 0.00 C ATOM 1169 C GLN B 49 0.416 2.161 6.832 1.00 0.00 C ATOM 1170 O GLN B 49 0.035 2.621 7.909 1.00 0.00 O ATOM 1171 CB GLN B 49 2.880 1.775 7.030 1.00 0.00 C ATOM 1172 CG GLN B 49 2.702 0.264 7.027 1.00 0.00 C ATOM 1173 CD GLN B 49 2.878 -0.364 5.653 1.00 0.00 C ATOM 1174 OE1 GLN B 49 2.671 -1.565 5.482 1.00 0.00 O ATOM 1175 NE2 GLN B 49 3.273 0.437 4.668 1.00 0.00 N ATOM 0 H GLN B 49 2.774 4.237 6.981 1.00 0.00 H new ATOM 0 HA GLN B 49 1.820 2.245 5.219 1.00 0.00 H new ATOM 0 HB2 GLN B 49 3.847 2.018 6.590 1.00 0.00 H new ATOM 0 HB3 GLN B 49 2.902 2.126 8.062 1.00 0.00 H new ATOM 0 HG2 GLN B 49 3.421 -0.180 7.716 1.00 0.00 H new ATOM 0 HG3 GLN B 49 1.708 0.022 7.404 1.00 0.00 H new ATOM 0 HE21 GLN B 49 3.434 1.428 4.850 1.00 0.00 H new ATOM 0 HE22 GLN B 49 3.415 0.061 3.731 1.00 0.00 H new ATOM 1184 N LEU B 50 -0.322 1.329 6.100 1.00 0.00 N ATOM 1185 CA LEU B 50 -1.647 0.905 6.542 1.00 0.00 C ATOM 1186 C LEU B 50 -1.560 0.122 7.849 1.00 0.00 C ATOM 1187 O LEU B 50 -0.817 -0.854 7.950 1.00 0.00 O ATOM 1188 CB LEU B 50 -2.323 0.059 5.460 1.00 0.00 C ATOM 1189 CG LEU B 50 -2.663 0.809 4.169 1.00 0.00 C ATOM 1190 CD1 LEU B 50 -3.261 -0.139 3.141 1.00 0.00 C ATOM 1191 CD2 LEU B 50 -3.623 1.955 4.454 1.00 0.00 C ATOM 0 H LEU B 50 -0.027 0.938 5.205 1.00 0.00 H new ATOM 0 HA LEU B 50 -2.249 1.797 6.718 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -1.670 -0.779 5.214 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -3.241 -0.362 5.870 1.00 0.00 H new ATOM 0 HG LEU B 50 -1.741 1.223 3.761 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -3.496 0.413 2.231 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -2.544 -0.927 2.913 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -4.172 -0.583 3.542 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -3.853 2.476 3.525 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -4.543 1.560 4.886 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -3.162 2.650 5.155 1.00 0.00 H new ATOM 1203 N GLU B 51 -2.321 0.562 8.849 1.00 0.00 N ATOM 1204 CA GLU B 51 -2.326 -0.094 10.153 1.00 0.00 C ATOM 1205 C GLU B 51 -3.153 -1.374 10.123 1.00 0.00 C ATOM 1206 O GLU B 51 -4.311 -1.368 9.709 1.00 0.00 O ATOM 1207 CB GLU B 51 -2.881 0.852 11.220 1.00 0.00 C ATOM 1208 CG GLU B 51 -2.132 2.173 11.312 1.00 0.00 C ATOM 1209 CD GLU B 51 -2.703 3.099 12.369 1.00 0.00 C ATOM 1210 OE1 GLU B 51 -3.692 2.713 13.028 1.00 0.00 O ATOM 1211 OE2 GLU B 51 -2.163 4.213 12.536 1.00 0.00 O ATOM 0 H GLU B 51 -2.941 1.369 8.781 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.297 -0.354 10.399 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -3.930 1.053 11.005 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -2.844 0.355 12.189 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -1.083 1.976 11.536 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.163 2.672 10.343 1.00 0.00 H new ATOM 1218 N ASP B 52 -2.551 -2.469 10.574 1.00 0.00 N ATOM 1219 CA ASP B 52 -3.227 -3.758 10.608 1.00 0.00 C ATOM 1220 C ASP B 52 -4.433 -3.717 11.541 1.00 0.00 C ATOM 1221 O ASP B 52 -4.362 -3.167 12.641 1.00 0.00 O ATOM 1222 CB ASP B 52 -2.256 -4.851 11.057 1.00 0.00 C ATOM 1223 CG ASP B 52 -1.073 -4.994 10.119 1.00 0.00 C ATOM 1224 OD1 ASP B 52 -1.295 -5.280 8.924 1.00 0.00 O ATOM 1225 OD2 ASP B 52 0.074 -4.819 10.580 1.00 0.00 O ATOM 0 H ASP B 52 -1.592 -2.488 10.922 1.00 0.00 H new ATOM 0 HA ASP B 52 -3.579 -3.984 9.601 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -1.895 -4.623 12.060 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -2.786 -5.802 11.117 1.00 0.00 H new ATOM 1230 N GLY B 53 -5.536 -4.307 11.094 1.00 0.00 N ATOM 1231 CA GLY B 53 -6.744 -4.334 11.897 1.00 0.00 C ATOM 1232 C GLY B 53 -7.472 -3.004 11.912 1.00 0.00 C ATOM 1233 O GLY B 53 -7.998 -2.591 12.945 1.00 0.00 O ATOM 0 H GLY B 53 -5.615 -4.768 10.188 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -7.413 -5.104 11.513 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -6.489 -4.614 12.919 1.00 0.00 H new ATOM 1237 N ARG B 54 -7.512 -2.337 10.762 1.00 0.00 N ATOM 1238 CA ARG B 54 -8.192 -1.052 10.644 1.00 0.00 C ATOM 1239 C ARG B 54 -9.140 -1.054 9.451 1.00 0.00 C ATOM 1240 O ARG B 54 -8.768 -1.454 8.347 1.00 0.00 O ATOM 1241 CB ARG B 54 -7.178 0.083 10.500 1.00 0.00 C ATOM 1242 CG ARG B 54 -6.305 0.290 11.729 1.00 0.00 C ATOM 1243 CD ARG B 54 -7.059 1.000 12.846 1.00 0.00 C ATOM 1244 NE ARG B 54 -8.193 0.222 13.337 1.00 0.00 N ATOM 1245 CZ ARG B 54 -9.026 0.646 14.284 1.00 0.00 C ATOM 1246 NH1 ARG B 54 -8.852 1.838 14.840 1.00 0.00 N ATOM 1247 NH2 ARG B 54 -10.034 -0.122 14.674 1.00 0.00 N ATOM 0 H ARG B 54 -7.081 -2.666 9.898 1.00 0.00 H new ATOM 0 HA ARG B 54 -8.771 -0.892 11.553 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -6.538 -0.122 9.642 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -7.712 1.009 10.286 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -5.948 -0.675 12.088 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -5.426 0.874 11.456 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -6.376 1.201 13.671 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -7.414 1.965 12.484 1.00 0.00 H new ATOM 0 HE ARG B 54 -8.356 -0.699 12.931 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -8.078 2.432 14.542 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -9.492 2.161 15.566 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -10.171 -1.039 14.248 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -10.672 0.204 15.400 1.00 0.00 H new ATOM 1261 N THR B 55 -10.367 -0.611 9.687 1.00 0.00 N ATOM 1262 CA THR B 55 -11.382 -0.563 8.641 1.00 0.00 C ATOM 1263 C THR B 55 -11.124 0.575 7.660 1.00 0.00 C ATOM 1264 O THR B 55 -10.782 1.689 8.059 1.00 0.00 O ATOM 1265 CB THR B 55 -12.793 -0.401 9.236 1.00 0.00 C ATOM 1266 OG1 THR B 55 -12.882 0.832 9.960 1.00 0.00 O ATOM 1267 CG2 THR B 55 -13.126 -1.562 10.160 1.00 0.00 C ATOM 0 H THR B 55 -10.686 -0.278 10.597 1.00 0.00 H new ATOM 0 HA THR B 55 -11.323 -1.512 8.108 1.00 0.00 H new ATOM 0 HB THR B 55 -13.510 -0.392 8.415 1.00 0.00 H new ATOM 0 HG1 THR B 55 -13.579 1.395 9.563 1.00 0.00 H new ATOM 0 HG21 THR B 55 -14.127 -1.426 10.569 1.00 0.00 H new ATOM 0 HG22 THR B 55 -13.086 -2.496 9.599 1.00 0.00 H new ATOM 0 HG23 THR B 55 -12.403 -1.597 10.975 1.00 0.00 H new ATOM 1275 N LEU B 56 -11.298 0.286 6.374 1.00 0.00 N ATOM 1276 CA LEU B 56 -11.094 1.281 5.328 1.00 0.00 C ATOM 1277 C LEU B 56 -12.093 2.426 5.467 1.00 0.00 C ATOM 1278 O LEU B 56 -11.805 3.563 5.092 1.00 0.00 O ATOM 1279 CB LEU B 56 -11.229 0.638 3.946 1.00 0.00 C ATOM 1280 CG LEU B 56 -10.281 -0.533 3.674 1.00 0.00 C ATOM 1281 CD1 LEU B 56 -10.510 -1.088 2.277 1.00 0.00 C ATOM 1282 CD2 LEU B 56 -8.831 -0.103 3.846 1.00 0.00 C ATOM 0 H LEU B 56 -11.581 -0.632 6.031 1.00 0.00 H new ATOM 0 HA LEU B 56 -10.087 1.683 5.436 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -12.255 0.290 3.824 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -11.060 1.404 3.189 1.00 0.00 H new ATOM 0 HG LEU B 56 -10.492 -1.320 4.398 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -9.828 -1.920 2.100 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -11.539 -1.437 2.188 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -10.327 -0.306 1.540 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -8.174 -0.950 3.648 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -8.605 0.702 3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -8.674 0.247 4.866 1.00 0.00 H new ATOM 1294 N SER B 57 -13.271 2.110 6.002 1.00 0.00 N ATOM 1295 CA SER B 57 -14.324 3.104 6.189 1.00 0.00 C ATOM 1296 C SER B 57 -13.800 4.328 6.935 1.00 0.00 C ATOM 1297 O SER B 57 -14.081 5.464 6.552 1.00 0.00 O ATOM 1298 CB SER B 57 -15.498 2.490 6.954 1.00 0.00 C ATOM 1299 OG SER B 57 -15.088 2.024 8.228 1.00 0.00 O ATOM 0 H SER B 57 -13.520 1.171 6.314 1.00 0.00 H new ATOM 0 HA SER B 57 -14.664 3.424 5.204 1.00 0.00 H new ATOM 0 HB2 SER B 57 -16.288 3.232 7.071 1.00 0.00 H new ATOM 0 HB3 SER B 57 -15.919 1.665 6.380 1.00 0.00 H new ATOM 0 HG SER B 57 -15.856 1.638 8.698 1.00 0.00 H new ATOM 1305 N ASP B 58 -13.035 4.090 7.996 1.00 0.00 N ATOM 1306 CA ASP B 58 -12.470 5.177 8.789 1.00 0.00 C ATOM 1307 C ASP B 58 -11.603 6.079 7.917 1.00 0.00 C ATOM 1308 O ASP B 58 -11.625 7.302 8.054 1.00 0.00 O ATOM 1309 CB ASP B 58 -11.640 4.619 9.948 1.00 0.00 C ATOM 1310 CG ASP B 58 -12.460 3.759 10.891 1.00 0.00 C ATOM 1311 OD1 ASP B 58 -13.677 3.605 10.651 1.00 0.00 O ATOM 1312 OD2 ASP B 58 -11.885 3.240 11.871 1.00 0.00 O ATOM 0 H ASP B 58 -12.792 3.156 8.326 1.00 0.00 H new ATOM 0 HA ASP B 58 -13.292 5.766 9.196 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -10.815 4.029 9.548 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -11.200 5.446 10.506 1.00 0.00 H new ATOM 1317 N TYR B 59 -10.843 5.461 7.020 1.00 0.00 N ATOM 1318 CA TYR B 59 -9.967 6.195 6.114 1.00 0.00 C ATOM 1319 C TYR B 59 -10.775 6.935 5.051 1.00 0.00 C ATOM 1320 O TYR B 59 -10.329 7.950 4.515 1.00 0.00 O ATOM 1321 CB TYR B 59 -8.973 5.242 5.439 1.00 0.00 C ATOM 1322 CG TYR B 59 -7.972 4.610 6.386 1.00 0.00 C ATOM 1323 CD1 TYR B 59 -8.385 3.938 7.532 1.00 0.00 C ATOM 1324 CD2 TYR B 59 -6.608 4.682 6.127 1.00 0.00 C ATOM 1325 CE1 TYR B 59 -7.469 3.360 8.391 1.00 0.00 C ATOM 1326 CE2 TYR B 59 -5.687 4.105 6.981 1.00 0.00 C ATOM 1327 CZ TYR B 59 -6.122 3.446 8.111 1.00 0.00 C ATOM 1328 OH TYR B 59 -5.207 2.871 8.963 1.00 0.00 O ATOM 0 H TYR B 59 -10.816 4.448 6.901 1.00 0.00 H new ATOM 0 HA TYR B 59 -9.416 6.927 6.704 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -9.530 4.451 4.937 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -8.430 5.789 4.668 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -9.439 3.867 7.754 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -6.262 5.198 5.243 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -7.807 2.844 9.277 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -4.631 4.170 6.764 1.00 0.00 H new ATOM 0 HH TYR B 59 -4.301 3.021 8.620 1.00 0.00 H new ATOM 1338 N ASN B 60 -11.957 6.404 4.738 1.00 0.00 N ATOM 1339 CA ASN B 60 -12.828 6.994 3.723 1.00 0.00 C ATOM 1340 C ASN B 60 -12.168 6.922 2.351 1.00 0.00 C ATOM 1341 O ASN B 60 -12.210 7.877 1.574 1.00 0.00 O ATOM 1342 CB ASN B 60 -13.170 8.448 4.069 1.00 0.00 C ATOM 1343 CG ASN B 60 -13.954 8.569 5.360 1.00 0.00 C ATOM 1344 OD1 ASN B 60 -13.480 8.181 6.427 1.00 0.00 O ATOM 1345 ND2 ASN B 60 -15.164 9.110 5.270 1.00 0.00 N ATOM 0 H ASN B 60 -12.334 5.563 5.175 1.00 0.00 H new ATOM 0 HA ASN B 60 -13.755 6.422 3.700 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -12.249 9.025 4.152 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -13.748 8.886 3.255 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -15.738 9.217 6.106 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -15.519 9.419 4.365 1.00 0.00 H new ATOM 1352 N ILE B 61 -11.557 5.777 2.067 1.00 0.00 N ATOM 1353 CA ILE B 61 -10.878 5.557 0.797 1.00 0.00 C ATOM 1354 C ILE B 61 -11.848 5.648 -0.377 1.00 0.00 C ATOM 1355 O ILE B 61 -12.905 5.015 -0.375 1.00 0.00 O ATOM 1356 CB ILE B 61 -10.185 4.180 0.775 1.00 0.00 C ATOM 1357 CG1 ILE B 61 -9.143 4.094 1.895 1.00 0.00 C ATOM 1358 CG2 ILE B 61 -9.543 3.930 -0.581 1.00 0.00 C ATOM 1359 CD1 ILE B 61 -8.419 2.765 1.957 1.00 0.00 C ATOM 0 H ILE B 61 -11.519 4.982 2.705 1.00 0.00 H new ATOM 0 HA ILE B 61 -10.128 6.342 0.696 1.00 0.00 H new ATOM 0 HB ILE B 61 -10.935 3.407 0.943 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -8.411 4.890 1.759 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -9.635 4.274 2.851 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -9.058 2.954 -0.580 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -10.309 3.954 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -8.801 4.703 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -7.698 2.781 2.774 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -9.140 1.965 2.125 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -7.897 2.591 1.016 1.00 0.00 H new ATOM 1371 N GLN B 62 -11.474 6.435 -1.382 1.00 0.00 N ATOM 1372 CA GLN B 62 -12.300 6.608 -2.573 1.00 0.00 C ATOM 1373 C GLN B 62 -12.127 5.429 -3.525 1.00 0.00 C ATOM 1374 O GLN B 62 -11.040 4.860 -3.626 1.00 0.00 O ATOM 1375 CB GLN B 62 -11.939 7.911 -3.293 1.00 0.00 C ATOM 1376 CG GLN B 62 -10.498 7.962 -3.777 1.00 0.00 C ATOM 1377 CD GLN B 62 -10.183 9.236 -4.536 1.00 0.00 C ATOM 1378 OE1 GLN B 62 -10.282 10.338 -3.995 1.00 0.00 O ATOM 1379 NE2 GLN B 62 -9.803 9.092 -5.801 1.00 0.00 N ATOM 0 H GLN B 62 -10.602 6.964 -1.395 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.342 6.655 -2.256 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -12.605 8.041 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.117 8.749 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -9.828 7.878 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -10.304 7.103 -4.419 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -9.734 8.160 -6.210 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -9.580 9.913 -6.363 1.00 0.00 H new ATOM 1388 N LYS B 63 -13.199 5.069 -4.226 1.00 0.00 N ATOM 1389 CA LYS B 63 -13.152 3.960 -5.172 1.00 0.00 C ATOM 1390 C LYS B 63 -12.054 4.187 -6.209 1.00 0.00 C ATOM 1391 O LYS B 63 -11.841 5.312 -6.664 1.00 0.00 O ATOM 1392 CB LYS B 63 -14.507 3.787 -5.862 1.00 0.00 C ATOM 1393 CG LYS B 63 -14.948 5.006 -6.654 1.00 0.00 C ATOM 1394 CD LYS B 63 -16.349 4.838 -7.229 1.00 0.00 C ATOM 1395 CE LYS B 63 -17.419 4.859 -6.144 1.00 0.00 C ATOM 1396 NZ LYS B 63 -17.342 3.671 -5.249 1.00 0.00 N ATOM 0 H LYS B 63 -14.107 5.528 -4.157 1.00 0.00 H new ATOM 0 HA LYS B 63 -12.924 3.048 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.457 2.928 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.262 3.561 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.924 5.885 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -14.243 5.186 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -16.544 5.635 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -16.406 3.897 -7.776 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -17.312 5.766 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -18.404 4.897 -6.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -18.298 3.411 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -16.919 2.874 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -16.754 3.897 -4.421 1.00 0.00 H new ATOM 1410 N GLU B 64 -11.354 3.112 -6.563 1.00 0.00 N ATOM 1411 CA GLU B 64 -10.263 3.177 -7.534 1.00 0.00 C ATOM 1412 C GLU B 64 -9.106 4.011 -6.991 1.00 0.00 C ATOM 1413 O GLU B 64 -8.491 4.791 -7.718 1.00 0.00 O ATOM 1414 CB GLU B 64 -10.753 3.757 -8.864 1.00 0.00 C ATOM 1415 CG GLU B 64 -11.831 2.919 -9.532 1.00 0.00 C ATOM 1416 CD GLU B 64 -12.291 3.502 -10.854 1.00 0.00 C ATOM 1417 OE1 GLU B 64 -11.748 4.551 -11.263 1.00 0.00 O ATOM 1418 OE2 GLU B 64 -13.192 2.908 -11.483 1.00 0.00 O ATOM 0 H GLU B 64 -11.524 2.178 -6.189 1.00 0.00 H new ATOM 0 HA GLU B 64 -9.908 2.161 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -11.139 4.762 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -9.906 3.853 -9.543 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -11.451 1.911 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -12.686 2.832 -8.861 1.00 0.00 H new ATOM 1425 N SER B 65 -8.819 3.834 -5.705 1.00 0.00 N ATOM 1426 CA SER B 65 -7.739 4.560 -5.047 1.00 0.00 C ATOM 1427 C SER B 65 -6.384 3.927 -5.342 1.00 0.00 C ATOM 1428 O SER B 65 -6.251 2.702 -5.364 1.00 0.00 O ATOM 1429 CB SER B 65 -7.968 4.589 -3.537 1.00 0.00 C ATOM 1430 OG SER B 65 -7.962 3.278 -3.001 1.00 0.00 O ATOM 0 H SER B 65 -9.323 3.190 -5.095 1.00 0.00 H new ATOM 0 HA SER B 65 -7.737 5.577 -5.438 1.00 0.00 H new ATOM 0 HB2 SER B 65 -7.191 5.186 -3.058 1.00 0.00 H new ATOM 0 HB3 SER B 65 -8.921 5.071 -3.319 1.00 0.00 H new ATOM 0 HG SER B 65 -7.357 3.242 -2.231 1.00 0.00 H new ATOM 1436 N THR B 66 -5.379 4.769 -5.558 1.00 0.00 N ATOM 1437 CA THR B 66 -4.030 4.296 -5.838 1.00 0.00 C ATOM 1438 C THR B 66 -3.279 3.995 -4.543 1.00 0.00 C ATOM 1439 O THR B 66 -3.242 4.821 -3.631 1.00 0.00 O ATOM 1440 CB THR B 66 -3.232 5.330 -6.655 1.00 0.00 C ATOM 1441 OG1 THR B 66 -3.901 5.598 -7.893 1.00 0.00 O ATOM 1442 CG2 THR B 66 -1.822 4.832 -6.935 1.00 0.00 C ATOM 0 H THR B 66 -5.475 5.784 -5.544 1.00 0.00 H new ATOM 0 HA THR B 66 -4.126 3.381 -6.422 1.00 0.00 H new ATOM 0 HB THR B 66 -3.166 6.247 -6.070 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.388 6.257 -8.406 1.00 0.00 H new ATOM 0 HG21 THR B 66 -1.280 5.580 -7.513 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.304 4.657 -5.992 1.00 0.00 H new ATOM 0 HG23 THR B 66 -1.870 3.902 -7.501 1.00 0.00 H new ATOM 1450 N LEU B 67 -2.676 2.812 -4.471 1.00 0.00 N ATOM 1451 CA LEU B 67 -1.920 2.408 -3.289 1.00 0.00 C ATOM 1452 C LEU B 67 -0.503 2.000 -3.676 1.00 0.00 C ATOM 1453 O LEU B 67 -0.305 1.279 -4.654 1.00 0.00 O ATOM 1454 CB LEU B 67 -2.623 1.251 -2.573 1.00 0.00 C ATOM 1455 CG LEU B 67 -4.087 1.504 -2.202 1.00 0.00 C ATOM 1456 CD1 LEU B 67 -4.651 0.325 -1.426 1.00 0.00 C ATOM 1457 CD2 LEU B 67 -4.228 2.787 -1.397 1.00 0.00 C ATOM 0 H LEU B 67 -2.696 2.116 -5.217 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.866 3.259 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -2.574 0.368 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.070 1.019 -1.663 1.00 0.00 H new ATOM 0 HG LEU B 67 -4.656 1.617 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -5.692 0.522 -1.171 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -4.592 -0.575 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -4.074 0.181 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -5.277 2.945 -1.145 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -3.643 2.708 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.866 3.629 -1.987 1.00 0.00 H new ATOM 1469 N HIS B 68 0.481 2.468 -2.913 1.00 0.00 N ATOM 1470 CA HIS B 68 1.877 2.147 -3.197 1.00 0.00 C ATOM 1471 C HIS B 68 2.347 0.931 -2.405 1.00 0.00 C ATOM 1472 O HIS B 68 2.122 0.837 -1.203 1.00 0.00 O ATOM 1473 CB HIS B 68 2.770 3.348 -2.891 1.00 0.00 C ATOM 1474 CG HIS B 68 2.551 4.504 -3.815 1.00 0.00 C ATOM 1475 ND1 HIS B 68 2.766 4.431 -5.176 1.00 0.00 N ATOM 1476 CD2 HIS B 68 2.133 5.767 -3.570 1.00 0.00 C ATOM 1477 CE1 HIS B 68 2.491 5.600 -5.726 1.00 0.00 C ATOM 1478 NE2 HIS B 68 2.104 6.427 -4.773 1.00 0.00 N ATOM 0 H HIS B 68 0.340 3.066 -2.099 1.00 0.00 H new ATOM 0 HA HIS B 68 1.950 1.905 -4.257 1.00 0.00 H new ATOM 0 HB2 HIS B 68 2.590 3.673 -1.866 1.00 0.00 H new ATOM 0 HB3 HIS B 68 3.814 3.039 -2.949 1.00 0.00 H new ATOM 0 HD2 HIS B 68 1.871 6.179 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS B 68 2.569 5.838 -6.776 1.00 0.00 H new ATOM 0 HE2 HIS B 68 1.828 7.400 -4.909 1.00 0.00 H new ATOM 1487 N LEU B 69 3.009 0.007 -3.094 1.00 0.00 N ATOM 1488 CA LEU B 69 3.526 -1.206 -2.466 1.00 0.00 C ATOM 1489 C LEU B 69 5.039 -1.110 -2.273 1.00 0.00 C ATOM 1490 O LEU B 69 5.752 -0.607 -3.142 1.00 0.00 O ATOM 1491 CB LEU B 69 3.157 -2.433 -3.315 1.00 0.00 C ATOM 1492 CG LEU B 69 3.836 -3.753 -2.928 1.00 0.00 C ATOM 1493 CD1 LEU B 69 2.993 -4.933 -3.384 1.00 0.00 C ATOM 1494 CD2 LEU B 69 5.224 -3.838 -3.543 1.00 0.00 C ATOM 0 H LEU B 69 3.201 0.075 -4.093 1.00 0.00 H new ATOM 0 HA LEU B 69 3.071 -1.315 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.078 -2.574 -3.262 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.399 -2.215 -4.355 1.00 0.00 H new ATOM 0 HG LEU B 69 3.932 -3.785 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU B 69 3.487 -5.863 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU B 69 2.013 -4.885 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU B 69 2.874 -4.898 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU B 69 5.691 -4.781 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.145 -3.786 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.833 -3.008 -3.184 1.00 0.00 H new ATOM 1506 N VAL B 70 5.526 -1.601 -1.134 1.00 0.00 N ATOM 1507 CA VAL B 70 6.954 -1.575 -0.840 1.00 0.00 C ATOM 1508 C VAL B 70 7.398 -2.906 -0.245 1.00 0.00 C ATOM 1509 O VAL B 70 7.261 -3.140 0.956 1.00 0.00 O ATOM 1510 CB VAL B 70 7.317 -0.437 0.139 1.00 0.00 C ATOM 1511 CG1 VAL B 70 8.819 -0.403 0.392 1.00 0.00 C ATOM 1512 CG2 VAL B 70 6.833 0.903 -0.392 1.00 0.00 C ATOM 0 H VAL B 70 4.952 -2.020 -0.402 1.00 0.00 H new ATOM 0 HA VAL B 70 7.473 -1.398 -1.782 1.00 0.00 H new ATOM 0 HB VAL B 70 6.815 -0.631 1.087 1.00 0.00 H new ATOM 0 HG11 VAL B 70 9.053 0.406 1.084 1.00 0.00 H new ATOM 0 HG12 VAL B 70 9.137 -1.353 0.822 1.00 0.00 H new ATOM 0 HG13 VAL B 70 9.343 -0.238 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL B 70 7.099 1.691 0.313 1.00 0.00 H new ATOM 0 HG22 VAL B 70 7.302 1.104 -1.355 1.00 0.00 H new ATOM 0 HG23 VAL B 70 5.750 0.876 -0.515 1.00 0.00 H new ATOM 1522 N LEU B 71 7.926 -3.774 -1.100 1.00 0.00 N ATOM 1523 CA LEU B 71 8.389 -5.087 -0.673 1.00 0.00 C ATOM 1524 C LEU B 71 9.644 -4.971 0.181 1.00 0.00 C ATOM 1525 O LEU B 71 10.604 -4.300 -0.199 1.00 0.00 O ATOM 1526 CB LEU B 71 8.667 -5.968 -1.892 1.00 0.00 C ATOM 1527 CG LEU B 71 7.459 -6.210 -2.798 1.00 0.00 C ATOM 1528 CD1 LEU B 71 7.882 -6.894 -4.086 1.00 0.00 C ATOM 1529 CD2 LEU B 71 6.410 -7.041 -2.077 1.00 0.00 C ATOM 0 H LEU B 71 8.044 -3.590 -2.096 1.00 0.00 H new ATOM 0 HA LEU B 71 7.605 -5.545 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU B 71 9.459 -5.508 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU B 71 9.044 -6.931 -1.548 1.00 0.00 H new ATOM 0 HG LEU B 71 7.023 -5.243 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU B 71 7.007 -7.057 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU B 71 8.598 -6.264 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU B 71 8.345 -7.853 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU B 71 5.558 -7.203 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU B 71 6.839 -8.003 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU B 71 6.080 -6.514 -1.182 1.00 0.00 H new ATOM 1541 N ARG B 72 9.629 -5.628 1.334 1.00 0.00 N ATOM 1542 CA ARG B 72 10.770 -5.600 2.241 1.00 0.00 C ATOM 1543 C ARG B 72 12.036 -6.071 1.532 1.00 0.00 C ATOM 1544 O ARG B 72 12.135 -7.229 1.125 1.00 0.00 O ATOM 1545 CB ARG B 72 10.500 -6.483 3.461 1.00 0.00 C ATOM 1546 CG ARG B 72 11.664 -6.547 4.435 1.00 0.00 C ATOM 1547 CD ARG B 72 11.341 -7.423 5.635 1.00 0.00 C ATOM 1548 NE ARG B 72 12.454 -7.497 6.578 1.00 0.00 N ATOM 1549 CZ ARG B 72 13.645 -8.014 6.283 1.00 0.00 C ATOM 1550 NH1 ARG B 72 13.878 -8.517 5.078 1.00 0.00 N ATOM 1551 NH2 ARG B 72 14.605 -8.031 7.198 1.00 0.00 N ATOM 0 H ARG B 72 8.841 -6.186 1.663 1.00 0.00 H new ATOM 0 HA ARG B 72 10.917 -4.571 2.570 1.00 0.00 H new ATOM 0 HB2 ARG B 72 9.620 -6.107 3.983 1.00 0.00 H new ATOM 0 HB3 ARG B 72 10.264 -7.492 3.124 1.00 0.00 H new ATOM 0 HG2 ARG B 72 12.545 -6.937 3.925 1.00 0.00 H new ATOM 0 HG3 ARG B 72 11.911 -5.541 4.774 1.00 0.00 H new ATOM 0 HD2 ARG B 72 10.461 -7.029 6.144 1.00 0.00 H new ATOM 0 HD3 ARG B 72 11.089 -8.427 5.293 1.00 0.00 H new ATOM 0 HE ARG B 72 12.310 -7.131 7.519 1.00 0.00 H new ATOM 0 HH11 ARG B 72 13.143 -8.509 4.371 1.00 0.00 H new ATOM 0 HH12 ARG B 72 14.793 -8.912 4.858 1.00 0.00 H new ATOM 0 HH21 ARG B 72 14.431 -7.648 8.127 1.00 0.00 H new ATOM 0 HH22 ARG B 72 15.518 -8.427 6.972 1.00 0.00 H new