USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1151 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot 170:sc= -0.368 USER MOD Set 1.2: A 153 GLN : amide:sc= -2.13 K(o=-2.5,f=0.9) USER MOD Set 2.1: A 79 MET CE :methyl -137:sc= 0 (180deg=0) USER MOD Set 2.2: A 186 THR OG1 : rot 103:sc= 1.11 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.708 X(o=-0.71,f=-1) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 85:sc= 0.558 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.0885 X(o=-0.089,f=-0.2) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0485 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.212) USER MOD Single : A 60 SER OG : rot -92:sc= 0.772 USER MOD Single : A 62 CYS SG : rot 174:sc= -0.807! USER MOD Single : A 64 LYS NZ :NH3+ -129:sc= -0.323 (180deg=-0.409) USER MOD Single : A 72 SER OG : rot 175:sc= 0.0217 USER MOD Single : A 73 ASN : amide:sc= -0.111 K(o=-0.11,f=-0.89) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 99 MET CE :methyl 162:sc= -0.0676 (180deg=-0.846) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 135:sc= 1.13 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 171:sc= -0.693 (180deg=-0.998) USER MOD Single : A 126 CYS SG : rot 180:sc= 0.00021 USER MOD Single : A 127 THR OG1 : rot -73:sc= -2.09! USER MOD Single : A 128 LYS NZ :NH3+ 160:sc= -0.0801 (180deg=-0.623) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl 170:sc= 0 (180deg=-0.0776) USER MOD Single : A 140 THR OG1 : rot -170:sc= -0.085 USER MOD Single : A 155 GLN : amide:sc= -2.6! K(o=-2.6!,f=-0.38) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= -0.566 K(o=-0.57,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot -77:sc= 0.136 USER MOD Single : A 184 SER OG : rot 78:sc= 0.0396 USER MOD ----------------------------------------------------------------- ATOM 176 N SER A 15 19.793 2.106 -0.481 1.00 1.07 N ATOM 177 CA SER A 15 19.648 3.404 0.258 1.00 0.91 C ATOM 178 C SER A 15 18.210 3.553 0.768 1.00 0.75 C ATOM 179 O SER A 15 17.260 3.437 0.020 1.00 0.78 O ATOM 180 CB SER A 15 19.981 4.556 -0.697 1.00 0.99 C ATOM 181 OG SER A 15 21.394 4.697 -0.750 1.00 1.38 O ATOM 0 HA SER A 15 20.327 3.422 1.110 1.00 0.91 H new ATOM 0 HB2 SER A 15 19.582 4.353 -1.691 1.00 0.99 H new ATOM 0 HB3 SER A 15 19.520 5.481 -0.351 1.00 0.99 H new ATOM 0 HG SER A 15 21.627 5.429 -1.358 1.00 1.38 H new ATOM 187 N SER A 16 18.047 3.809 2.035 1.00 0.72 N ATOM 188 CA SER A 16 16.675 3.967 2.594 1.00 0.82 C ATOM 189 C SER A 16 15.944 5.087 1.853 1.00 0.81 C ATOM 190 O SER A 16 14.739 5.054 1.698 1.00 0.92 O ATOM 191 CB SER A 16 16.769 4.321 4.077 1.00 1.06 C ATOM 192 OG SER A 16 17.412 3.263 4.774 1.00 1.64 O ATOM 0 H SER A 16 18.805 3.916 2.709 1.00 0.72 H new ATOM 0 HA SER A 16 16.126 3.033 2.473 1.00 0.82 H new ATOM 0 HB2 SER A 16 17.327 5.248 4.206 1.00 1.06 H new ATOM 0 HB3 SER A 16 15.773 4.488 4.486 1.00 1.06 H new ATOM 0 HG SER A 16 17.618 3.551 5.688 1.00 1.64 H new ATOM 198 N GLU A 17 16.654 6.077 1.389 1.00 0.80 N ATOM 199 CA GLU A 17 15.991 7.192 0.655 1.00 0.94 C ATOM 200 C GLU A 17 15.477 6.694 -0.698 1.00 0.85 C ATOM 201 O GLU A 17 14.444 7.122 -1.170 1.00 0.89 O ATOM 202 CB GLU A 17 16.987 8.338 0.449 1.00 1.13 C ATOM 203 CG GLU A 17 16.277 9.548 -0.162 1.00 1.71 C ATOM 204 CD GLU A 17 17.290 10.676 -0.374 1.00 2.26 C ATOM 205 OE1 GLU A 17 17.864 11.122 0.605 1.00 2.68 O ATOM 206 OE2 GLU A 17 17.475 11.073 -1.513 1.00 2.90 O ATOM 0 H GLU A 17 17.666 6.163 1.486 1.00 0.80 H new ATOM 0 HA GLU A 17 15.146 7.554 1.240 1.00 0.94 H new ATOM 0 HB2 GLU A 17 17.438 8.614 1.402 1.00 1.13 H new ATOM 0 HB3 GLU A 17 17.797 8.013 -0.204 1.00 1.13 H new ATOM 0 HG2 GLU A 17 15.818 9.273 -1.112 1.00 1.71 H new ATOM 0 HG3 GLU A 17 15.475 9.883 0.495 1.00 1.71 H new ATOM 213 N GLN A 18 16.171 5.785 -1.324 1.00 0.80 N ATOM 214 CA GLN A 18 15.681 5.271 -2.634 1.00 0.83 C ATOM 215 C GLN A 18 14.325 4.585 -2.418 1.00 0.68 C ATOM 216 O GLN A 18 13.468 4.592 -3.279 1.00 0.69 O ATOM 217 CB GLN A 18 16.694 4.264 -3.200 1.00 0.96 C ATOM 218 CG GLN A 18 17.858 5.018 -3.851 1.00 1.53 C ATOM 219 CD GLN A 18 18.954 4.026 -4.248 1.00 2.23 C ATOM 220 OE1 GLN A 18 18.667 2.921 -4.665 1.00 2.69 O ATOM 221 NE2 GLN A 18 20.206 4.377 -4.138 1.00 3.07 N ATOM 0 H GLN A 18 17.046 5.380 -0.991 1.00 0.80 H new ATOM 0 HA GLN A 18 15.567 6.093 -3.341 1.00 0.83 H new ATOM 0 HB2 GLN A 18 17.065 3.619 -2.403 1.00 0.96 H new ATOM 0 HB3 GLN A 18 16.210 3.619 -3.933 1.00 0.96 H new ATOM 0 HG2 GLN A 18 17.508 5.559 -4.730 1.00 1.53 H new ATOM 0 HG3 GLN A 18 18.257 5.759 -3.158 1.00 1.53 H new ATOM 0 HE21 GLN A 18 20.447 5.304 -3.788 1.00 3.07 H new ATOM 0 HE22 GLN A 18 20.944 3.724 -4.402 1.00 3.07 H new ATOM 230 N ILE A 19 14.132 3.998 -1.263 1.00 0.59 N ATOM 231 CA ILE A 19 12.839 3.309 -0.961 1.00 0.58 C ATOM 232 C ILE A 19 11.734 4.358 -0.771 1.00 0.52 C ATOM 233 O ILE A 19 10.588 4.148 -1.117 1.00 0.59 O ATOM 234 CB ILE A 19 13.010 2.452 0.300 1.00 0.64 C ATOM 235 CG1 ILE A 19 13.789 1.180 -0.058 1.00 0.74 C ATOM 236 CG2 ILE A 19 11.643 2.069 0.877 1.00 0.73 C ATOM 237 CD1 ILE A 19 14.292 0.504 1.220 1.00 0.81 C ATOM 0 H ILE A 19 14.820 3.966 -0.511 1.00 0.59 H new ATOM 0 HA ILE A 19 12.554 2.658 -1.788 1.00 0.58 H new ATOM 0 HB ILE A 19 13.556 3.026 1.048 1.00 0.64 H new ATOM 0 HG12 ILE A 19 13.149 0.495 -0.615 1.00 0.74 H new ATOM 0 HG13 ILE A 19 14.631 1.428 -0.705 1.00 0.74 H new ATOM 0 HG21 ILE A 19 11.783 1.461 1.771 1.00 0.73 H new ATOM 0 HG22 ILE A 19 11.091 2.973 1.135 1.00 0.73 H new ATOM 0 HG23 ILE A 19 11.082 1.500 0.136 1.00 0.73 H new ATOM 0 HD11 ILE A 19 14.845 -0.399 0.961 1.00 0.81 H new ATOM 0 HD12 ILE A 19 14.947 1.188 1.760 1.00 0.81 H new ATOM 0 HD13 ILE A 19 13.443 0.241 1.851 1.00 0.81 H new ATOM 249 N MET A 20 12.084 5.488 -0.244 1.00 0.51 N ATOM 250 CA MET A 20 11.098 6.576 -0.050 1.00 0.60 C ATOM 251 C MET A 20 10.597 7.120 -1.390 1.00 0.55 C ATOM 252 O MET A 20 9.421 7.336 -1.594 1.00 0.59 O ATOM 253 CB MET A 20 11.816 7.735 0.707 1.00 0.82 C ATOM 254 CG MET A 20 10.774 8.526 1.546 1.00 1.07 C ATOM 255 SD MET A 20 10.149 7.495 2.917 1.00 1.43 S ATOM 256 CE MET A 20 8.378 7.514 2.495 1.00 0.93 C ATOM 0 H MET A 20 13.030 5.709 0.067 1.00 0.51 H new ATOM 0 HA MET A 20 10.245 6.187 0.506 1.00 0.60 H new ATOM 0 HB2 MET A 20 12.593 7.333 1.357 1.00 0.82 H new ATOM 0 HB3 MET A 20 12.307 8.399 -0.004 1.00 0.82 H new ATOM 0 HG2 MET A 20 11.230 9.433 1.943 1.00 1.07 H new ATOM 0 HG3 MET A 20 9.946 8.838 0.910 1.00 1.07 H new ATOM 0 HE1 MET A 20 7.823 6.929 3.228 1.00 0.93 H new ATOM 0 HE2 MET A 20 8.014 8.541 2.500 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.235 7.083 1.504 1.00 0.93 H new ATOM 266 N LYS A 21 11.507 7.335 -2.310 1.00 0.57 N ATOM 267 CA LYS A 21 11.133 7.851 -3.661 1.00 0.61 C ATOM 268 C LYS A 21 10.323 6.809 -4.434 1.00 0.53 C ATOM 269 O LYS A 21 9.253 7.101 -4.932 1.00 0.51 O ATOM 270 CB LYS A 21 12.402 8.176 -4.460 1.00 0.72 C ATOM 271 CG LYS A 21 13.269 9.178 -3.686 1.00 1.09 C ATOM 272 CD LYS A 21 14.245 9.872 -4.644 1.00 1.24 C ATOM 273 CE LYS A 21 15.077 8.824 -5.386 1.00 1.80 C ATOM 274 NZ LYS A 21 16.224 9.494 -6.063 1.00 2.40 N ATOM 0 H LYS A 21 12.505 7.172 -2.178 1.00 0.57 H new ATOM 0 HA LYS A 21 10.529 8.749 -3.527 1.00 0.61 H new ATOM 0 HB2 LYS A 21 12.967 7.263 -4.648 1.00 0.72 H new ATOM 0 HB3 LYS A 21 12.133 8.590 -5.432 1.00 0.72 H new ATOM 0 HG2 LYS A 21 12.636 9.919 -3.198 1.00 1.09 H new ATOM 0 HG3 LYS A 21 13.821 8.663 -2.900 1.00 1.09 H new ATOM 0 HD2 LYS A 21 13.694 10.484 -5.358 1.00 1.24 H new ATOM 0 HD3 LYS A 21 14.900 10.542 -4.088 1.00 1.24 H new ATOM 0 HE2 LYS A 21 15.442 8.071 -4.687 1.00 1.80 H new ATOM 0 HE3 LYS A 21 14.459 8.305 -6.119 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 16.792 8.784 -6.568 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 15.865 10.197 -6.741 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 16.817 9.969 -5.353 1.00 2.40 H new ATOM 288 N THR A 22 10.801 5.601 -4.548 1.00 0.53 N ATOM 289 CA THR A 22 10.023 4.578 -5.304 1.00 0.52 C ATOM 290 C THR A 22 8.637 4.427 -4.672 1.00 0.45 C ATOM 291 O THR A 22 7.645 4.270 -5.356 1.00 0.48 O ATOM 292 CB THR A 22 10.764 3.239 -5.262 1.00 0.55 C ATOM 293 OG1 THR A 22 12.120 3.441 -5.636 1.00 0.64 O ATOM 294 CG2 THR A 22 10.108 2.255 -6.230 1.00 0.62 C ATOM 0 H THR A 22 11.686 5.280 -4.156 1.00 0.53 H new ATOM 0 HA THR A 22 9.913 4.893 -6.342 1.00 0.52 H new ATOM 0 HB THR A 22 10.719 2.831 -4.252 1.00 0.55 H new ATOM 0 HG1 THR A 22 12.637 3.720 -4.852 1.00 0.64 H new ATOM 0 HG21 THR A 22 10.639 1.303 -6.197 1.00 0.62 H new ATOM 0 HG22 THR A 22 9.068 2.101 -5.943 1.00 0.62 H new ATOM 0 HG23 THR A 22 10.149 2.658 -7.242 1.00 0.62 H new ATOM 302 N GLY A 23 8.562 4.480 -3.374 1.00 0.42 N ATOM 303 CA GLY A 23 7.242 4.347 -2.693 1.00 0.43 C ATOM 304 C GLY A 23 6.326 5.503 -3.103 1.00 0.41 C ATOM 305 O GLY A 23 5.291 5.293 -3.705 1.00 0.47 O ATOM 0 H GLY A 23 9.359 4.610 -2.751 1.00 0.42 H new ATOM 0 HA2 GLY A 23 6.781 3.395 -2.957 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.379 4.346 -1.612 1.00 0.43 H new ATOM 309 N ALA A 24 6.684 6.717 -2.796 1.00 0.40 N ATOM 310 CA ALA A 24 5.823 7.874 -3.184 1.00 0.41 C ATOM 311 C ALA A 24 5.509 7.838 -4.680 1.00 0.41 C ATOM 312 O ALA A 24 4.474 8.296 -5.119 1.00 0.41 O ATOM 313 CB ALA A 24 6.586 9.167 -2.880 1.00 0.42 C ATOM 0 H ALA A 24 7.537 6.961 -2.292 1.00 0.40 H new ATOM 0 HA ALA A 24 4.889 7.825 -2.625 1.00 0.41 H new ATOM 0 HB1 ALA A 24 5.973 10.025 -3.157 1.00 0.42 H new ATOM 0 HB2 ALA A 24 6.815 9.213 -1.815 1.00 0.42 H new ATOM 0 HB3 ALA A 24 7.514 9.185 -3.451 1.00 0.42 H new ATOM 319 N LEU A 25 6.403 7.295 -5.466 1.00 0.42 N ATOM 320 CA LEU A 25 6.162 7.233 -6.937 1.00 0.44 C ATOM 321 C LEU A 25 5.158 6.116 -7.224 1.00 0.44 C ATOM 322 O LEU A 25 4.216 6.290 -7.971 1.00 0.46 O ATOM 323 CB LEU A 25 7.494 6.967 -7.673 1.00 0.47 C ATOM 324 CG LEU A 25 8.121 8.279 -8.192 1.00 0.77 C ATOM 325 CD1 LEU A 25 7.363 8.778 -9.434 1.00 1.58 C ATOM 326 CD2 LEU A 25 8.106 9.359 -7.091 1.00 1.67 C ATOM 0 H LEU A 25 7.287 6.893 -5.153 1.00 0.42 H new ATOM 0 HA LEU A 25 5.758 8.181 -7.291 1.00 0.44 H new ATOM 0 HB2 LEU A 25 8.191 6.470 -6.999 1.00 0.47 H new ATOM 0 HB3 LEU A 25 7.321 6.289 -8.509 1.00 0.47 H new ATOM 0 HG LEU A 25 9.156 8.080 -8.468 1.00 0.77 H new ATOM 0 HD11 LEU A 25 7.816 9.704 -9.789 1.00 1.58 H new ATOM 0 HD12 LEU A 25 7.415 8.024 -10.219 1.00 1.58 H new ATOM 0 HD13 LEU A 25 6.320 8.960 -9.175 1.00 1.58 H new ATOM 0 HD21 LEU A 25 8.552 10.276 -7.475 1.00 1.67 H new ATOM 0 HD22 LEU A 25 7.078 9.555 -6.787 1.00 1.67 H new ATOM 0 HD23 LEU A 25 8.678 9.010 -6.231 1.00 1.67 H new ATOM 338 N LEU A 26 5.377 4.960 -6.670 1.00 0.45 N ATOM 339 CA LEU A 26 4.459 3.829 -6.944 1.00 0.47 C ATOM 340 C LEU A 26 3.007 4.275 -6.758 1.00 0.49 C ATOM 341 O LEU A 26 2.183 4.095 -7.633 1.00 0.52 O ATOM 342 CB LEU A 26 4.799 2.647 -6.005 1.00 0.51 C ATOM 343 CG LEU A 26 5.968 1.823 -6.595 1.00 0.69 C ATOM 344 CD1 LEU A 26 6.542 0.885 -5.532 1.00 1.17 C ATOM 345 CD2 LEU A 26 5.451 1.005 -7.790 1.00 1.35 C ATOM 0 H LEU A 26 6.152 4.751 -6.040 1.00 0.45 H new ATOM 0 HA LEU A 26 4.583 3.501 -7.976 1.00 0.47 H new ATOM 0 HB2 LEU A 26 5.069 3.022 -5.018 1.00 0.51 H new ATOM 0 HB3 LEU A 26 3.923 2.011 -5.876 1.00 0.51 H new ATOM 0 HG LEU A 26 6.758 2.498 -6.925 1.00 0.69 H new ATOM 0 HD11 LEU A 26 7.364 0.311 -5.959 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.908 1.471 -4.689 1.00 1.17 H new ATOM 0 HD13 LEU A 26 5.763 0.204 -5.189 1.00 1.17 H new ATOM 0 HD21 LEU A 26 6.269 0.421 -8.212 1.00 1.35 H new ATOM 0 HD22 LEU A 26 4.660 0.333 -7.456 1.00 1.35 H new ATOM 0 HD23 LEU A 26 5.057 1.680 -8.550 1.00 1.35 H new ATOM 357 N LEU A 27 2.673 4.834 -5.630 1.00 0.50 N ATOM 358 CA LEU A 27 1.258 5.253 -5.431 1.00 0.56 C ATOM 359 C LEU A 27 0.870 6.263 -6.515 1.00 0.56 C ATOM 360 O LEU A 27 -0.140 6.116 -7.171 1.00 0.60 O ATOM 361 CB LEU A 27 1.056 5.885 -4.049 1.00 0.64 C ATOM 362 CG LEU A 27 1.835 5.110 -2.994 1.00 0.95 C ATOM 363 CD1 LEU A 27 1.558 5.718 -1.619 1.00 1.66 C ATOM 364 CD2 LEU A 27 1.392 3.645 -3.008 1.00 1.42 C ATOM 0 H LEU A 27 3.304 5.017 -4.850 1.00 0.50 H new ATOM 0 HA LEU A 27 0.625 4.368 -5.498 1.00 0.56 H new ATOM 0 HB2 LEU A 27 1.386 6.924 -4.065 1.00 0.64 H new ATOM 0 HB3 LEU A 27 -0.004 5.892 -3.796 1.00 0.64 H new ATOM 0 HG LEU A 27 2.902 5.165 -3.209 1.00 0.95 H new ATOM 0 HD11 LEU A 27 2.113 5.168 -0.859 1.00 1.66 H new ATOM 0 HD12 LEU A 27 1.872 6.762 -1.613 1.00 1.66 H new ATOM 0 HD13 LEU A 27 0.491 5.659 -1.403 1.00 1.66 H new ATOM 0 HD21 LEU A 27 1.949 3.089 -2.253 1.00 1.42 H new ATOM 0 HD22 LEU A 27 0.326 3.585 -2.790 1.00 1.42 H new ATOM 0 HD23 LEU A 27 1.586 3.216 -3.991 1.00 1.42 H new ATOM 376 N GLN A 28 1.654 7.288 -6.704 1.00 0.55 N ATOM 377 CA GLN A 28 1.309 8.306 -7.736 1.00 0.58 C ATOM 378 C GLN A 28 0.971 7.612 -9.061 1.00 0.54 C ATOM 379 O GLN A 28 0.153 8.075 -9.830 1.00 0.58 O ATOM 380 CB GLN A 28 2.503 9.240 -7.945 1.00 0.60 C ATOM 381 CG GLN A 28 2.114 10.347 -8.927 1.00 1.00 C ATOM 382 CD GLN A 28 3.205 11.419 -8.951 1.00 1.40 C ATOM 383 OE1 GLN A 28 3.210 12.315 -8.131 1.00 2.09 O ATOM 384 NE2 GLN A 28 4.136 11.365 -9.863 1.00 1.91 N ATOM 0 H GLN A 28 2.517 7.465 -6.190 1.00 0.55 H new ATOM 0 HA GLN A 28 0.445 8.879 -7.400 1.00 0.58 H new ATOM 0 HB2 GLN A 28 2.811 9.674 -6.994 1.00 0.60 H new ATOM 0 HB3 GLN A 28 3.355 8.679 -8.330 1.00 0.60 H new ATOM 0 HG2 GLN A 28 1.978 9.930 -9.925 1.00 1.00 H new ATOM 0 HG3 GLN A 28 1.162 10.789 -8.633 1.00 1.00 H new ATOM 0 HE21 GLN A 28 4.132 10.613 -10.552 1.00 1.91 H new ATOM 0 HE22 GLN A 28 4.868 12.075 -9.887 1.00 1.91 H new ATOM 393 N GLY A 29 1.621 6.511 -9.333 1.00 0.50 N ATOM 394 CA GLY A 29 1.374 5.780 -10.610 1.00 0.48 C ATOM 395 C GLY A 29 0.155 4.868 -10.469 1.00 0.44 C ATOM 396 O GLY A 29 -0.806 4.987 -11.204 1.00 0.50 O ATOM 0 H GLY A 29 2.317 6.084 -8.721 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.213 6.492 -11.420 1.00 0.48 H new ATOM 0 HA3 GLY A 29 2.251 5.189 -10.875 1.00 0.48 H new ATOM 400 N PHE A 30 0.187 3.948 -9.544 1.00 0.44 N ATOM 401 CA PHE A 30 -0.972 3.029 -9.385 1.00 0.43 C ATOM 402 C PHE A 30 -2.238 3.843 -9.119 1.00 0.40 C ATOM 403 O PHE A 30 -3.304 3.520 -9.606 1.00 0.43 O ATOM 404 CB PHE A 30 -0.723 2.060 -8.214 1.00 0.47 C ATOM 405 CG PHE A 30 -2.009 1.338 -7.849 1.00 0.47 C ATOM 406 CD1 PHE A 30 -2.765 0.691 -8.842 1.00 1.20 C ATOM 407 CD2 PHE A 30 -2.447 1.313 -6.518 1.00 1.39 C ATOM 408 CE1 PHE A 30 -3.949 0.028 -8.502 1.00 1.21 C ATOM 409 CE2 PHE A 30 -3.631 0.647 -6.182 1.00 1.42 C ATOM 410 CZ PHE A 30 -4.381 0.005 -7.173 1.00 0.58 C ATOM 0 H PHE A 30 0.960 3.795 -8.897 1.00 0.44 H new ATOM 0 HA PHE A 30 -1.097 2.452 -10.301 1.00 0.43 H new ATOM 0 HB2 PHE A 30 0.044 1.336 -8.488 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -0.348 2.610 -7.351 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -2.431 0.706 -9.869 1.00 1.20 H new ATOM 0 HD2 PHE A 30 -1.870 1.808 -5.751 1.00 1.39 H new ATOM 0 HE1 PHE A 30 -4.530 -0.466 -9.267 1.00 1.21 H new ATOM 0 HE2 PHE A 30 -3.966 0.629 -5.156 1.00 1.42 H new ATOM 0 HZ PHE A 30 -5.294 -0.509 -6.911 1.00 0.58 H new ATOM 420 N ILE A 31 -2.141 4.903 -8.359 1.00 0.40 N ATOM 421 CA ILE A 31 -3.352 5.724 -8.083 1.00 0.40 C ATOM 422 C ILE A 31 -3.803 6.371 -9.399 1.00 0.40 C ATOM 423 O ILE A 31 -4.939 6.237 -9.811 1.00 0.43 O ATOM 424 CB ILE A 31 -3.022 6.809 -7.035 1.00 0.41 C ATOM 425 CG1 ILE A 31 -2.813 6.155 -5.669 1.00 0.53 C ATOM 426 CG2 ILE A 31 -4.167 7.822 -6.976 1.00 0.72 C ATOM 427 CD1 ILE A 31 -2.245 7.186 -4.691 1.00 0.48 C ATOM 0 H ILE A 31 -1.281 5.232 -7.921 1.00 0.40 H new ATOM 0 HA ILE A 31 -4.152 5.099 -7.685 1.00 0.40 H new ATOM 0 HB ILE A 31 -2.106 7.329 -7.316 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -3.758 5.764 -5.293 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -2.131 5.309 -5.759 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -3.936 8.589 -6.237 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -4.293 8.287 -7.954 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -5.089 7.313 -6.695 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -2.096 6.720 -3.717 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -1.291 7.556 -5.066 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -2.943 8.017 -4.592 1.00 0.48 H new ATOM 439 N GLN A 32 -2.929 7.078 -10.052 1.00 0.42 N ATOM 440 CA GLN A 32 -3.310 7.739 -11.329 1.00 0.47 C ATOM 441 C GLN A 32 -3.808 6.702 -12.340 1.00 0.50 C ATOM 442 O GLN A 32 -4.481 7.037 -13.294 1.00 0.61 O ATOM 443 CB GLN A 32 -2.099 8.477 -11.900 1.00 0.57 C ATOM 444 CG GLN A 32 -1.785 9.696 -11.027 1.00 1.19 C ATOM 445 CD GLN A 32 -2.833 10.786 -11.266 1.00 1.59 C ATOM 446 OE1 GLN A 32 -3.042 11.210 -12.385 1.00 2.16 O ATOM 447 NE2 GLN A 32 -3.504 11.262 -10.252 1.00 2.21 N ATOM 0 H GLN A 32 -1.964 7.228 -9.757 1.00 0.42 H new ATOM 0 HA GLN A 32 -4.114 8.449 -11.134 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -1.237 7.810 -11.936 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -2.301 8.792 -12.924 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -1.777 9.410 -9.975 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -0.791 10.076 -11.261 1.00 1.19 H new ATOM 0 HE21 GLN A 32 -3.329 10.906 -9.312 1.00 2.21 H new ATOM 0 HE22 GLN A 32 -4.203 11.990 -10.400 1.00 2.21 H new ATOM 456 N ASP A 33 -3.476 5.449 -12.165 1.00 0.49 N ATOM 457 CA ASP A 33 -3.933 4.418 -13.147 1.00 0.58 C ATOM 458 C ASP A 33 -5.395 4.045 -12.876 1.00 0.61 C ATOM 459 O ASP A 33 -6.198 3.956 -13.784 1.00 0.70 O ATOM 460 CB ASP A 33 -3.053 3.172 -13.019 1.00 0.61 C ATOM 461 CG ASP A 33 -3.455 2.146 -14.079 1.00 1.10 C ATOM 462 OD1 ASP A 33 -4.423 1.439 -13.853 1.00 1.89 O ATOM 463 OD2 ASP A 33 -2.787 2.083 -15.097 1.00 1.78 O ATOM 0 H ASP A 33 -2.913 5.096 -11.391 1.00 0.49 H new ATOM 0 HA ASP A 33 -3.852 4.823 -14.156 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -2.004 3.442 -13.140 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -3.159 2.741 -12.023 1.00 0.61 H new ATOM 468 N ARG A 34 -5.750 3.838 -11.638 1.00 0.58 N ATOM 469 CA ARG A 34 -7.164 3.482 -11.313 1.00 0.71 C ATOM 470 C ARG A 34 -8.009 4.760 -11.256 1.00 0.65 C ATOM 471 O ARG A 34 -9.222 4.704 -11.219 1.00 0.85 O ATOM 472 CB ARG A 34 -7.221 2.759 -9.953 1.00 0.85 C ATOM 473 CG ARG A 34 -6.964 1.247 -10.132 1.00 1.25 C ATOM 474 CD ARG A 34 -8.292 0.505 -10.357 1.00 1.31 C ATOM 475 NE ARG A 34 -9.216 1.353 -11.161 1.00 1.58 N ATOM 476 CZ ARG A 34 -10.249 0.816 -11.750 1.00 2.09 C ATOM 477 NH1 ARG A 34 -10.476 -0.463 -11.632 1.00 2.58 N ATOM 478 NH2 ARG A 34 -11.056 1.560 -12.457 1.00 2.75 N ATOM 0 H ARG A 34 -5.123 3.900 -10.836 1.00 0.58 H new ATOM 0 HA ARG A 34 -7.558 2.820 -12.084 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -6.477 3.183 -9.278 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -8.196 2.916 -9.492 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -6.299 1.082 -10.979 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -6.462 0.849 -9.250 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.109 -0.438 -10.872 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -8.750 0.261 -9.398 1.00 1.31 H new ATOM 0 HE ARG A 34 -9.041 2.354 -11.251 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -9.846 -1.044 -11.079 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -11.284 -0.882 -12.093 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -10.879 2.560 -12.549 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -11.864 1.141 -12.918 1.00 2.75 H new ATOM 492 N ALA A 35 -7.393 5.907 -11.276 1.00 0.59 N ATOM 493 CA ALA A 35 -8.187 7.169 -11.249 1.00 0.66 C ATOM 494 C ALA A 35 -8.662 7.480 -12.674 1.00 0.80 C ATOM 495 O ALA A 35 -9.698 8.079 -12.882 1.00 0.88 O ATOM 496 CB ALA A 35 -7.312 8.310 -10.731 1.00 0.94 C ATOM 0 H ALA A 35 -6.381 6.027 -11.310 1.00 0.59 H new ATOM 0 HA ALA A 35 -9.048 7.057 -10.590 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -7.892 9.233 -10.711 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -6.968 8.076 -9.724 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -6.452 8.436 -11.388 1.00 0.94 H new ATOM 751 N ALA A 54 11.259 1.802 -15.897 1.00 0.91 N ATOM 752 CA ALA A 54 10.115 0.845 -16.002 1.00 0.84 C ATOM 753 C ALA A 54 10.071 -0.022 -14.746 1.00 0.76 C ATOM 754 O ALA A 54 9.192 -0.846 -14.586 1.00 0.75 O ATOM 755 CB ALA A 54 10.261 -0.038 -17.243 1.00 0.95 C ATOM 0 HA ALA A 54 9.187 1.409 -16.093 1.00 0.84 H new ATOM 0 HB1 ALA A 54 9.418 -0.727 -17.300 1.00 0.95 H new ATOM 0 HB2 ALA A 54 10.279 0.588 -18.135 1.00 0.95 H new ATOM 0 HB3 ALA A 54 11.190 -0.605 -17.179 1.00 0.95 H new ATOM 761 N SER A 55 10.971 0.185 -13.826 1.00 0.75 N ATOM 762 CA SER A 55 10.932 -0.602 -12.562 1.00 0.71 C ATOM 763 C SER A 55 9.585 -0.362 -11.878 1.00 0.66 C ATOM 764 O SER A 55 8.919 -1.281 -11.445 1.00 0.66 O ATOM 765 CB SER A 55 12.057 -0.129 -11.641 1.00 0.76 C ATOM 766 OG SER A 55 12.064 1.291 -11.597 1.00 1.37 O ATOM 0 H SER A 55 11.730 0.863 -13.894 1.00 0.75 H new ATOM 0 HA SER A 55 11.059 -1.663 -12.776 1.00 0.71 H new ATOM 0 HB2 SER A 55 11.916 -0.534 -10.639 1.00 0.76 H new ATOM 0 HB3 SER A 55 13.017 -0.498 -12.002 1.00 0.76 H new ATOM 0 HG SER A 55 12.783 1.596 -11.006 1.00 1.37 H new ATOM 772 N THR A 56 9.188 0.877 -11.772 1.00 0.65 N ATOM 773 CA THR A 56 7.892 1.204 -11.112 1.00 0.62 C ATOM 774 C THR A 56 6.728 0.833 -12.035 1.00 0.59 C ATOM 775 O THR A 56 5.691 0.385 -11.589 1.00 0.57 O ATOM 776 CB THR A 56 7.838 2.712 -10.830 1.00 0.67 C ATOM 777 OG1 THR A 56 8.360 3.419 -11.946 1.00 1.09 O ATOM 778 CG2 THR A 56 8.661 3.049 -9.586 1.00 1.06 C ATOM 0 H THR A 56 9.710 1.683 -12.117 1.00 0.65 H new ATOM 0 HA THR A 56 7.812 0.642 -10.182 1.00 0.62 H new ATOM 0 HB THR A 56 6.802 3.003 -10.658 1.00 0.67 H new ATOM 0 HG1 THR A 56 8.325 4.382 -11.769 1.00 1.09 H new ATOM 0 HG21 THR A 56 8.614 4.122 -9.398 1.00 1.06 H new ATOM 0 HG22 THR A 56 8.259 2.512 -8.727 1.00 1.06 H new ATOM 0 HG23 THR A 56 9.698 2.754 -9.745 1.00 1.06 H new ATOM 786 N LYS A 57 6.882 1.033 -13.313 1.00 0.61 N ATOM 787 CA LYS A 57 5.772 0.711 -14.252 1.00 0.59 C ATOM 788 C LYS A 57 5.350 -0.751 -14.089 1.00 0.54 C ATOM 789 O LYS A 57 4.174 -1.065 -14.064 1.00 0.52 O ATOM 790 CB LYS A 57 6.228 0.954 -15.692 1.00 0.65 C ATOM 791 CG LYS A 57 6.578 2.436 -15.874 1.00 1.20 C ATOM 792 CD LYS A 57 7.000 2.707 -17.333 1.00 1.33 C ATOM 793 CE LYS A 57 5.768 3.017 -18.191 1.00 1.94 C ATOM 794 NZ LYS A 57 6.177 3.153 -19.618 1.00 2.73 N ATOM 0 H LYS A 57 7.726 1.405 -13.748 1.00 0.61 H new ATOM 0 HA LYS A 57 4.921 1.354 -14.026 1.00 0.59 H new ATOM 0 HB2 LYS A 57 7.095 0.334 -15.920 1.00 0.65 H new ATOM 0 HB3 LYS A 57 5.439 0.667 -16.388 1.00 0.65 H new ATOM 0 HG2 LYS A 57 5.719 3.055 -15.615 1.00 1.20 H new ATOM 0 HG3 LYS A 57 7.386 2.713 -15.196 1.00 1.20 H new ATOM 0 HD2 LYS A 57 7.697 3.544 -17.368 1.00 1.33 H new ATOM 0 HD3 LYS A 57 7.523 1.840 -17.735 1.00 1.33 H new ATOM 0 HE2 LYS A 57 5.030 2.221 -18.087 1.00 1.94 H new ATOM 0 HE3 LYS A 57 5.295 3.937 -17.848 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 5.341 3.363 -20.200 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 6.866 3.927 -19.709 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 6.609 2.264 -19.941 1.00 2.73 H new ATOM 808 N LYS A 58 6.284 -1.657 -13.984 1.00 0.55 N ATOM 809 CA LYS A 58 5.897 -3.089 -13.835 1.00 0.53 C ATOM 810 C LYS A 58 5.235 -3.284 -12.462 1.00 0.48 C ATOM 811 O LYS A 58 4.158 -3.841 -12.357 1.00 0.46 O ATOM 812 CB LYS A 58 7.156 -3.974 -13.976 1.00 0.56 C ATOM 813 CG LYS A 58 6.852 -5.220 -14.822 1.00 0.78 C ATOM 814 CD LYS A 58 5.784 -6.088 -14.138 1.00 0.96 C ATOM 815 CE LYS A 58 6.273 -6.553 -12.759 1.00 0.85 C ATOM 816 NZ LYS A 58 5.621 -7.849 -12.419 1.00 1.75 N ATOM 0 H LYS A 58 7.287 -1.471 -13.995 1.00 0.55 H new ATOM 0 HA LYS A 58 5.187 -3.377 -14.610 1.00 0.53 H new ATOM 0 HB2 LYS A 58 7.959 -3.401 -14.439 1.00 0.56 H new ATOM 0 HB3 LYS A 58 7.507 -4.275 -12.989 1.00 0.56 H new ATOM 0 HG2 LYS A 58 6.506 -4.920 -15.811 1.00 0.78 H new ATOM 0 HG3 LYS A 58 7.763 -5.800 -14.966 1.00 0.78 H new ATOM 0 HD2 LYS A 58 4.860 -5.521 -14.030 1.00 0.96 H new ATOM 0 HD3 LYS A 58 5.556 -6.953 -14.761 1.00 0.96 H new ATOM 0 HE2 LYS A 58 7.357 -6.668 -12.764 1.00 0.85 H new ATOM 0 HE3 LYS A 58 6.035 -5.804 -12.004 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 5.697 -8.018 -11.396 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 4.618 -7.815 -12.690 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 6.092 -8.620 -12.933 1.00 1.75 H new ATOM 830 N LEU A 59 5.866 -2.837 -11.412 1.00 0.50 N ATOM 831 CA LEU A 59 5.262 -3.006 -10.060 1.00 0.47 C ATOM 832 C LEU A 59 3.870 -2.360 -10.049 1.00 0.43 C ATOM 833 O LEU A 59 3.011 -2.715 -9.266 1.00 0.42 O ATOM 834 CB LEU A 59 6.157 -2.322 -9.004 1.00 0.53 C ATOM 835 CG LEU A 59 7.084 -3.345 -8.335 1.00 0.71 C ATOM 836 CD1 LEU A 59 8.001 -3.984 -9.381 1.00 1.07 C ATOM 837 CD2 LEU A 59 7.930 -2.636 -7.275 1.00 1.34 C ATOM 0 H LEU A 59 6.770 -2.364 -11.430 1.00 0.50 H new ATOM 0 HA LEU A 59 5.177 -4.067 -9.825 1.00 0.47 H new ATOM 0 HB2 LEU A 59 6.751 -1.539 -9.475 1.00 0.53 H new ATOM 0 HB3 LEU A 59 5.535 -1.840 -8.250 1.00 0.53 H new ATOM 0 HG LEU A 59 6.484 -4.126 -7.867 1.00 0.71 H new ATOM 0 HD11 LEU A 59 8.656 -4.709 -8.897 1.00 1.07 H new ATOM 0 HD12 LEU A 59 7.397 -4.488 -10.135 1.00 1.07 H new ATOM 0 HD13 LEU A 59 8.605 -3.211 -9.857 1.00 1.07 H new ATOM 0 HD21 LEU A 59 8.591 -3.357 -6.795 1.00 1.34 H new ATOM 0 HD22 LEU A 59 8.526 -1.855 -7.748 1.00 1.34 H new ATOM 0 HD23 LEU A 59 7.276 -2.190 -6.526 1.00 1.34 H new ATOM 849 N SER A 60 3.641 -1.434 -10.940 1.00 0.43 N ATOM 850 CA SER A 60 2.303 -0.782 -11.011 1.00 0.42 C ATOM 851 C SER A 60 1.289 -1.796 -11.548 1.00 0.39 C ATOM 852 O SER A 60 0.139 -1.802 -11.152 1.00 0.41 O ATOM 853 CB SER A 60 2.374 0.413 -11.966 1.00 0.47 C ATOM 854 OG SER A 60 2.176 -0.037 -13.299 1.00 1.36 O ATOM 0 H SER A 60 4.323 -1.101 -11.622 1.00 0.43 H new ATOM 0 HA SER A 60 2.002 -0.441 -10.021 1.00 0.42 H new ATOM 0 HB2 SER A 60 1.615 1.149 -11.702 1.00 0.47 H new ATOM 0 HB3 SER A 60 3.342 0.907 -11.877 1.00 0.47 H new ATOM 0 HG SER A 60 3.043 -0.241 -13.708 1.00 1.36 H new ATOM 860 N GLU A 61 1.705 -2.658 -12.437 1.00 0.38 N ATOM 861 CA GLU A 61 0.754 -3.671 -12.986 1.00 0.38 C ATOM 862 C GLU A 61 0.340 -4.632 -11.866 1.00 0.38 C ATOM 863 O GLU A 61 -0.784 -5.093 -11.823 1.00 0.41 O ATOM 864 CB GLU A 61 1.408 -4.457 -14.121 1.00 0.39 C ATOM 865 CG GLU A 61 2.051 -3.495 -15.118 1.00 1.06 C ATOM 866 CD GLU A 61 2.626 -4.291 -16.291 1.00 1.67 C ATOM 867 OE1 GLU A 61 1.883 -4.556 -17.222 1.00 2.25 O ATOM 868 OE2 GLU A 61 3.798 -4.625 -16.238 1.00 2.40 O ATOM 0 H GLU A 61 2.655 -2.706 -12.805 1.00 0.38 H new ATOM 0 HA GLU A 61 -0.124 -3.159 -13.379 1.00 0.38 H new ATOM 0 HB2 GLU A 61 2.161 -5.134 -13.719 1.00 0.39 H new ATOM 0 HB3 GLU A 61 0.663 -5.072 -14.625 1.00 0.39 H new ATOM 0 HG2 GLU A 61 1.312 -2.778 -15.477 1.00 1.06 H new ATOM 0 HG3 GLU A 61 2.840 -2.922 -14.631 1.00 1.06 H new ATOM 875 N CYS A 62 1.214 -4.911 -10.943 1.00 0.37 N ATOM 876 CA CYS A 62 0.832 -5.815 -9.820 1.00 0.39 C ATOM 877 C CYS A 62 -0.329 -5.175 -9.050 1.00 0.38 C ATOM 878 O CYS A 62 -1.352 -5.792 -8.823 1.00 0.44 O ATOM 879 CB CYS A 62 2.028 -6.000 -8.886 1.00 0.41 C ATOM 880 SG CYS A 62 1.614 -7.218 -7.612 1.00 1.62 S ATOM 0 H CYS A 62 2.170 -4.557 -10.915 1.00 0.37 H new ATOM 0 HA CYS A 62 0.529 -6.787 -10.208 1.00 0.39 H new ATOM 0 HB2 CYS A 62 2.898 -6.332 -9.453 1.00 0.41 H new ATOM 0 HB3 CYS A 62 2.293 -5.049 -8.423 1.00 0.41 H new ATOM 0 HG CYS A 62 2.666 -7.465 -6.890 1.00 1.62 H new ATOM 886 N LEU A 63 -0.189 -3.934 -8.680 1.00 0.35 N ATOM 887 CA LEU A 63 -1.287 -3.222 -7.963 1.00 0.36 C ATOM 888 C LEU A 63 -2.487 -3.059 -8.908 1.00 0.36 C ATOM 889 O LEU A 63 -3.604 -2.855 -8.473 1.00 0.41 O ATOM 890 CB LEU A 63 -0.778 -1.842 -7.522 1.00 0.38 C ATOM 891 CG LEU A 63 0.004 -1.981 -6.208 1.00 0.69 C ATOM 892 CD1 LEU A 63 1.119 -3.016 -6.377 1.00 1.39 C ATOM 893 CD2 LEU A 63 0.613 -0.630 -5.830 1.00 1.11 C ATOM 0 H LEU A 63 0.648 -3.375 -8.845 1.00 0.35 H new ATOM 0 HA LEU A 63 -1.597 -3.793 -7.088 1.00 0.36 H new ATOM 0 HB2 LEU A 63 -0.139 -1.414 -8.295 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -1.617 -1.159 -7.388 1.00 0.38 H new ATOM 0 HG LEU A 63 -0.673 -2.308 -5.419 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.671 -3.112 -5.442 1.00 1.39 H new ATOM 0 HD12 LEU A 63 0.684 -3.980 -6.641 1.00 1.39 H new ATOM 0 HD13 LEU A 63 1.797 -2.695 -7.168 1.00 1.39 H new ATOM 0 HD21 LEU A 63 1.168 -0.729 -4.897 1.00 1.11 H new ATOM 0 HD22 LEU A 63 1.288 -0.301 -6.620 1.00 1.11 H new ATOM 0 HD23 LEU A 63 -0.182 0.105 -5.703 1.00 1.11 H new ATOM 905 N LYS A 64 -2.268 -3.141 -10.193 1.00 0.35 N ATOM 906 CA LYS A 64 -3.402 -2.985 -11.154 1.00 0.37 C ATOM 907 C LYS A 64 -4.100 -4.340 -11.339 1.00 0.39 C ATOM 908 O LYS A 64 -5.306 -4.453 -11.244 1.00 0.43 O ATOM 909 CB LYS A 64 -2.858 -2.481 -12.505 1.00 0.38 C ATOM 910 CG LYS A 64 -3.913 -1.625 -13.220 1.00 0.82 C ATOM 911 CD LYS A 64 -5.184 -2.448 -13.452 1.00 1.35 C ATOM 912 CE LYS A 64 -6.072 -1.738 -14.477 1.00 1.38 C ATOM 913 NZ LYS A 64 -7.315 -2.533 -14.696 1.00 2.09 N ATOM 0 H LYS A 64 -1.357 -3.309 -10.619 1.00 0.35 H new ATOM 0 HA LYS A 64 -4.121 -2.263 -10.767 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.953 -1.895 -12.344 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -2.582 -3.329 -13.132 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.144 -0.743 -12.622 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -3.521 -1.270 -14.173 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -4.925 -3.445 -13.808 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -5.724 -2.575 -12.514 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -6.325 -0.738 -14.124 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -5.535 -1.617 -15.418 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -7.458 -2.680 -15.716 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -7.226 -3.455 -14.223 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -8.129 -2.019 -14.303 1.00 2.09 H new ATOM 927 N ARG A 65 -3.341 -5.368 -11.591 1.00 0.43 N ATOM 928 CA ARG A 65 -3.936 -6.721 -11.779 1.00 0.47 C ATOM 929 C ARG A 65 -4.607 -7.193 -10.489 1.00 0.50 C ATOM 930 O ARG A 65 -5.692 -7.735 -10.510 1.00 0.54 O ATOM 931 CB ARG A 65 -2.822 -7.710 -12.138 1.00 0.45 C ATOM 932 CG ARG A 65 -2.270 -7.406 -13.544 1.00 0.94 C ATOM 933 CD ARG A 65 -3.120 -8.103 -14.615 1.00 1.55 C ATOM 934 NE ARG A 65 -2.506 -7.876 -15.954 1.00 1.86 N ATOM 935 CZ ARG A 65 -2.874 -8.601 -16.974 1.00 2.39 C ATOM 936 NH1 ARG A 65 -3.781 -9.528 -16.823 1.00 2.94 N ATOM 937 NH2 ARG A 65 -2.336 -8.399 -18.145 1.00 2.92 N ATOM 0 H ARG A 65 -2.325 -5.329 -11.676 1.00 0.43 H new ATOM 0 HA ARG A 65 -4.679 -6.671 -12.575 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -2.019 -7.647 -11.403 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -3.206 -8.729 -12.103 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -2.268 -6.330 -13.716 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -1.236 -7.742 -13.616 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -3.183 -9.171 -14.407 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -4.138 -7.714 -14.598 1.00 1.55 H new ATOM 0 HE ARG A 65 -1.797 -7.153 -16.073 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -4.202 -9.685 -15.907 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -4.069 -10.095 -17.621 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -1.628 -7.674 -18.263 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -2.623 -8.966 -18.943 1.00 2.92 H new ATOM 951 N ILE A 66 -3.977 -6.987 -9.366 1.00 0.49 N ATOM 952 CA ILE A 66 -4.588 -7.431 -8.081 1.00 0.53 C ATOM 953 C ILE A 66 -5.789 -6.536 -7.760 1.00 0.54 C ATOM 954 O ILE A 66 -6.892 -7.008 -7.566 1.00 0.60 O ATOM 955 CB ILE A 66 -3.534 -7.334 -6.965 1.00 0.52 C ATOM 956 CG1 ILE A 66 -2.542 -8.493 -7.100 1.00 1.22 C ATOM 957 CG2 ILE A 66 -4.200 -7.380 -5.582 1.00 1.29 C ATOM 958 CD1 ILE A 66 -1.346 -8.255 -6.175 1.00 1.25 C ATOM 0 H ILE A 66 -3.068 -6.532 -9.282 1.00 0.49 H new ATOM 0 HA ILE A 66 -4.928 -8.464 -8.161 1.00 0.53 H new ATOM 0 HB ILE A 66 -3.008 -6.385 -7.062 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -3.030 -9.434 -6.846 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -2.205 -8.578 -8.133 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -3.436 -7.310 -4.808 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -4.893 -6.545 -5.484 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.744 -8.318 -5.471 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -0.641 -9.081 -6.272 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -0.853 -7.323 -6.450 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -1.691 -8.192 -5.143 1.00 1.25 H new ATOM 970 N GLY A 67 -5.587 -5.250 -7.721 1.00 0.52 N ATOM 971 CA GLY A 67 -6.718 -4.322 -7.433 1.00 0.55 C ATOM 972 C GLY A 67 -7.870 -4.587 -8.397 1.00 0.53 C ATOM 973 O GLY A 67 -9.020 -4.636 -7.999 1.00 0.63 O ATOM 0 H GLY A 67 -4.686 -4.799 -7.876 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.055 -4.455 -6.405 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -6.384 -3.289 -7.528 1.00 0.55 H new ATOM 977 N ASP A 68 -7.594 -4.759 -9.657 1.00 0.54 N ATOM 978 CA ASP A 68 -8.696 -5.017 -10.625 1.00 0.54 C ATOM 979 C ASP A 68 -9.340 -6.371 -10.325 1.00 0.52 C ATOM 980 O ASP A 68 -10.512 -6.576 -10.568 1.00 0.56 O ATOM 981 CB ASP A 68 -8.125 -5.030 -12.045 1.00 0.60 C ATOM 982 CG ASP A 68 -9.267 -5.105 -13.058 1.00 1.43 C ATOM 983 OD1 ASP A 68 -10.156 -5.917 -12.861 1.00 2.20 O ATOM 984 OD2 ASP A 68 -9.233 -4.349 -14.015 1.00 2.12 O ATOM 0 H ASP A 68 -6.657 -4.733 -10.059 1.00 0.54 H new ATOM 0 HA ASP A 68 -9.448 -4.233 -10.536 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -7.532 -4.132 -12.217 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -7.457 -5.882 -12.171 1.00 0.60 H new ATOM 989 N GLU A 69 -8.585 -7.304 -9.803 1.00 0.56 N ATOM 990 CA GLU A 69 -9.168 -8.644 -9.499 1.00 0.56 C ATOM 991 C GLU A 69 -9.899 -8.584 -8.155 1.00 0.55 C ATOM 992 O GLU A 69 -10.885 -9.264 -7.959 1.00 0.73 O ATOM 993 CB GLU A 69 -8.044 -9.697 -9.449 1.00 0.61 C ATOM 994 CG GLU A 69 -8.590 -11.080 -9.822 1.00 0.84 C ATOM 995 CD GLU A 69 -9.738 -11.454 -8.884 1.00 1.65 C ATOM 996 OE1 GLU A 69 -9.593 -11.246 -7.691 1.00 2.23 O ATOM 997 OE2 GLU A 69 -10.741 -11.947 -9.375 1.00 2.48 O ATOM 0 H GLU A 69 -7.596 -7.196 -9.576 1.00 0.56 H new ATOM 0 HA GLU A 69 -9.877 -8.924 -10.278 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -7.244 -9.418 -10.135 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -7.610 -9.728 -8.450 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -8.938 -11.077 -10.855 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -7.797 -11.824 -9.755 1.00 0.84 H new ATOM 1004 N LEU A 70 -9.437 -7.803 -7.218 1.00 0.53 N ATOM 1005 CA LEU A 70 -10.150 -7.772 -5.912 1.00 0.52 C ATOM 1006 C LEU A 70 -11.570 -7.244 -6.134 1.00 0.54 C ATOM 1007 O LEU A 70 -12.487 -7.573 -5.409 1.00 0.60 O ATOM 1008 CB LEU A 70 -9.413 -6.888 -4.899 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.110 -7.551 -4.428 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -7.380 -6.570 -3.503 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -8.422 -8.859 -3.672 1.00 1.61 C ATOM 0 H LEU A 70 -8.618 -7.200 -7.296 1.00 0.53 H new ATOM 0 HA LEU A 70 -10.186 -8.783 -5.506 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -9.190 -5.921 -5.351 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -10.058 -6.698 -4.041 1.00 0.61 H new ATOM 0 HG LEU A 70 -7.483 -7.795 -5.286 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -6.450 -7.021 -3.156 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -7.157 -5.653 -4.048 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -8.013 -6.338 -2.646 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -7.491 -9.320 -3.343 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -9.044 -8.638 -2.805 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -8.952 -9.544 -4.334 1.00 1.61 H new ATOM 1023 N ASP A 71 -11.766 -6.456 -7.158 1.00 0.67 N ATOM 1024 CA ASP A 71 -13.135 -5.943 -7.446 1.00 0.91 C ATOM 1025 C ASP A 71 -13.987 -7.100 -7.978 1.00 1.02 C ATOM 1026 O ASP A 71 -15.200 -7.053 -7.997 1.00 1.29 O ATOM 1027 CB ASP A 71 -13.059 -4.839 -8.501 1.00 1.09 C ATOM 1028 CG ASP A 71 -14.443 -4.215 -8.686 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -14.787 -3.343 -7.906 1.00 2.36 O ATOM 1030 OD2 ASP A 71 -15.136 -4.622 -9.604 1.00 2.25 O ATOM 0 H ASP A 71 -11.040 -6.147 -7.804 1.00 0.67 H new ATOM 0 HA ASP A 71 -13.579 -5.537 -6.537 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -12.343 -4.077 -8.194 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -12.704 -5.249 -9.447 1.00 1.09 H new ATOM 1035 N SER A 72 -13.327 -8.143 -8.406 1.00 0.90 N ATOM 1036 CA SER A 72 -14.026 -9.345 -8.946 1.00 1.20 C ATOM 1037 C SER A 72 -15.056 -9.880 -7.956 1.00 0.98 C ATOM 1038 O SER A 72 -15.975 -10.578 -8.340 1.00 1.02 O ATOM 1039 CB SER A 72 -12.992 -10.449 -9.178 1.00 1.57 C ATOM 1040 OG SER A 72 -13.602 -11.512 -9.901 1.00 2.09 O ATOM 0 H SER A 72 -12.309 -8.213 -8.404 1.00 0.90 H new ATOM 0 HA SER A 72 -14.530 -9.059 -9.869 1.00 1.20 H new ATOM 0 HB2 SER A 72 -12.140 -10.056 -9.733 1.00 1.57 H new ATOM 0 HB3 SER A 72 -12.610 -10.813 -8.224 1.00 1.57 H new ATOM 0 HG SER A 72 -12.927 -12.188 -10.120 1.00 2.09 H new ATOM 1046 N ASN A 73 -14.910 -9.590 -6.681 1.00 0.92 N ATOM 1047 CA ASN A 73 -15.886 -10.129 -5.674 1.00 0.83 C ATOM 1048 C ASN A 73 -16.873 -9.038 -5.254 1.00 0.75 C ATOM 1049 O ASN A 73 -16.492 -8.033 -4.688 1.00 1.07 O ATOM 1050 CB ASN A 73 -15.111 -10.603 -4.441 1.00 0.91 C ATOM 1051 CG ASN A 73 -14.093 -11.668 -4.855 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -13.100 -11.364 -5.487 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -14.297 -12.913 -4.521 1.00 1.90 N ATOM 0 H ASN A 73 -14.165 -9.009 -6.297 1.00 0.92 H new ATOM 0 HA ASN A 73 -16.440 -10.956 -6.118 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -14.602 -9.761 -3.973 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -15.799 -11.011 -3.701 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -13.624 -13.630 -4.790 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -15.130 -13.169 -3.991 1.00 1.90 H new ATOM 1060 N MET A 74 -18.134 -9.224 -5.526 1.00 0.71 N ATOM 1061 CA MET A 74 -19.135 -8.190 -5.134 1.00 0.67 C ATOM 1062 C MET A 74 -19.288 -8.191 -3.608 1.00 0.67 C ATOM 1063 O MET A 74 -19.904 -7.315 -3.034 1.00 0.71 O ATOM 1064 CB MET A 74 -20.481 -8.493 -5.806 1.00 0.75 C ATOM 1065 CG MET A 74 -20.484 -7.946 -7.236 1.00 1.20 C ATOM 1066 SD MET A 74 -19.000 -8.511 -8.106 1.00 1.92 S ATOM 1067 CE MET A 74 -19.696 -10.035 -8.792 1.00 1.96 C ATOM 0 H MET A 74 -18.515 -10.043 -6.000 1.00 0.71 H new ATOM 0 HA MET A 74 -18.797 -7.206 -5.459 1.00 0.67 H new ATOM 0 HB2 MET A 74 -20.657 -9.569 -5.818 1.00 0.75 H new ATOM 0 HB3 MET A 74 -21.293 -8.044 -5.234 1.00 0.75 H new ATOM 0 HG2 MET A 74 -21.377 -8.283 -7.763 1.00 1.20 H new ATOM 0 HG3 MET A 74 -20.515 -6.857 -7.219 1.00 1.20 H new ATOM 0 HE1 MET A 74 -18.935 -10.552 -9.377 1.00 1.96 H new ATOM 0 HE2 MET A 74 -20.030 -10.681 -7.980 1.00 1.96 H new ATOM 0 HE3 MET A 74 -20.543 -9.792 -9.433 1.00 1.96 H new ATOM 1077 N GLU A 75 -18.697 -9.147 -2.949 1.00 0.70 N ATOM 1078 CA GLU A 75 -18.764 -9.195 -1.460 1.00 0.75 C ATOM 1079 C GLU A 75 -17.783 -8.169 -0.890 1.00 0.73 C ATOM 1080 O GLU A 75 -18.133 -7.370 -0.044 1.00 0.78 O ATOM 1081 CB GLU A 75 -18.375 -10.593 -0.975 1.00 0.87 C ATOM 1082 CG GLU A 75 -19.447 -11.598 -1.401 1.00 1.15 C ATOM 1083 CD GLU A 75 -19.079 -12.989 -0.880 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -19.084 -13.169 0.326 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -18.799 -13.850 -1.697 1.00 2.21 O ATOM 0 H GLU A 75 -18.166 -9.904 -3.380 1.00 0.70 H new ATOM 0 HA GLU A 75 -19.777 -8.968 -1.127 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -17.409 -10.878 -1.391 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -18.269 -10.597 0.110 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -20.419 -11.297 -1.010 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -19.532 -11.616 -2.487 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.563 -8.173 -1.347 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.578 -7.185 -0.826 1.00 0.80 C ATOM 1094 C LEU A 76 -16.025 -5.771 -1.209 1.00 0.75 C ATOM 1095 O LEU A 76 -15.762 -4.818 -0.506 1.00 0.81 O ATOM 1096 CB LEU A 76 -14.190 -7.478 -1.409 1.00 0.92 C ATOM 1097 CG LEU A 76 -13.132 -6.546 -0.791 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -12.843 -6.946 0.664 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -11.842 -6.650 -1.611 1.00 1.51 C ATOM 0 H LEU A 76 -16.206 -8.814 -2.055 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.525 -7.261 0.260 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -13.922 -8.517 -1.218 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -14.210 -7.347 -2.491 1.00 0.92 H new ATOM 0 HG LEU A 76 -13.508 -5.523 -0.802 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -12.093 -6.276 1.083 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -13.760 -6.876 1.249 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -12.471 -7.970 0.693 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -11.085 -5.994 -1.182 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.482 -7.679 -1.594 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -12.040 -6.352 -2.640 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.723 -5.630 -2.300 1.00 0.76 N ATOM 1112 CA GLN A 77 -17.208 -4.278 -2.701 1.00 0.74 C ATOM 1113 C GLN A 77 -18.456 -3.945 -1.880 1.00 0.71 C ATOM 1114 O GLN A 77 -18.716 -2.797 -1.565 1.00 0.72 O ATOM 1115 CB GLN A 77 -17.545 -4.267 -4.194 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.874 -2.841 -4.638 1.00 1.26 C ATOM 1117 CD GLN A 77 -18.243 -2.841 -6.123 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -19.277 -2.330 -6.504 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -17.435 -3.397 -6.984 1.00 2.03 N ATOM 0 H GLN A 77 -16.979 -6.389 -2.931 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.433 -3.534 -2.515 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.703 -4.652 -4.769 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.392 -4.924 -4.390 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -18.701 -2.446 -4.047 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -17.018 -2.188 -4.465 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -16.567 -3.826 -6.665 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -17.672 -3.402 -7.976 1.00 2.03 H new ATOM 1128 N ARG A 78 -19.220 -4.930 -1.506 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.431 -4.646 -0.691 1.00 0.73 C ATOM 1130 C ARG A 78 -20.013 -4.316 0.744 1.00 0.75 C ATOM 1131 O ARG A 78 -20.559 -3.427 1.368 1.00 0.79 O ATOM 1132 CB ARG A 78 -21.351 -5.869 -0.689 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.528 -5.613 0.261 1.00 0.94 C ATOM 1134 CD ARG A 78 -23.611 -6.678 0.053 1.00 1.23 C ATOM 1135 NE ARG A 78 -24.904 -6.226 0.665 1.00 1.80 N ATOM 1136 CZ ARG A 78 -24.969 -5.818 1.907 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -23.959 -5.980 2.714 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -26.079 -5.306 2.363 1.00 3.41 N ATOM 0 H ARG A 78 -19.060 -5.913 -1.727 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.964 -3.797 -1.119 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.717 -6.065 -1.697 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.799 -6.754 -0.373 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -22.182 -5.631 1.295 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -22.942 -4.621 0.081 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -23.749 -6.864 -1.012 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -23.297 -7.620 0.503 1.00 1.23 H new ATOM 0 HE ARG A 78 -25.753 -6.237 0.100 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -23.106 -6.429 2.380 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -24.021 -5.658 3.680 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -26.892 -5.225 1.752 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -26.134 -4.987 3.330 1.00 3.41 H new ATOM 1152 N MET A 79 -19.046 -5.019 1.278 1.00 0.75 N ATOM 1153 CA MET A 79 -18.599 -4.737 2.673 1.00 0.77 C ATOM 1154 C MET A 79 -18.084 -3.299 2.753 1.00 0.77 C ATOM 1155 O MET A 79 -18.476 -2.534 3.610 1.00 0.78 O ATOM 1156 CB MET A 79 -17.468 -5.711 3.049 1.00 0.81 C ATOM 1157 CG MET A 79 -18.055 -7.057 3.492 1.00 1.08 C ATOM 1158 SD MET A 79 -16.715 -8.152 4.028 1.00 1.07 S ATOM 1159 CE MET A 79 -16.656 -7.624 5.759 1.00 0.81 C ATOM 0 H MET A 79 -18.548 -5.775 0.808 1.00 0.75 H new ATOM 0 HA MET A 79 -19.433 -4.865 3.363 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.806 -5.858 2.196 1.00 0.81 H new ATOM 0 HB3 MET A 79 -16.865 -5.287 3.852 1.00 0.81 H new ATOM 0 HG2 MET A 79 -18.764 -6.907 4.306 1.00 1.08 H new ATOM 0 HG3 MET A 79 -18.606 -7.514 2.670 1.00 1.08 H new ATOM 0 HE1 MET A 79 -15.617 -7.512 6.070 1.00 0.81 H new ATOM 0 HE2 MET A 79 -17.172 -6.670 5.866 1.00 0.81 H new ATOM 0 HE3 MET A 79 -17.143 -8.372 6.384 1.00 0.81 H new ATOM 1169 N ILE A 80 -17.210 -2.927 1.860 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.675 -1.540 1.879 1.00 0.80 C ATOM 1171 C ILE A 80 -17.841 -0.551 1.887 1.00 0.80 C ATOM 1172 O ILE A 80 -17.761 0.507 2.479 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.807 -1.313 0.638 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.566 -2.206 0.719 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -15.366 0.150 0.564 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.843 -2.204 -0.630 1.00 1.10 C ATOM 0 H ILE A 80 -16.844 -3.524 1.119 1.00 0.77 H new ATOM 0 HA ILE A 80 -16.068 -1.390 2.772 1.00 0.80 H new ATOM 0 HB ILE A 80 -16.388 -1.558 -0.251 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.898 -1.847 1.502 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.854 -3.223 0.987 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -14.749 0.300 -0.322 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -16.245 0.792 0.508 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.789 0.402 1.454 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.960 -2.840 -0.570 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.512 -2.584 -1.402 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.541 -1.187 -0.880 1.00 1.10 H new ATOM 1188 N ALA A 81 -18.931 -0.888 1.252 1.00 0.78 N ATOM 1189 CA ALA A 81 -20.092 0.045 1.254 1.00 0.80 C ATOM 1190 C ALA A 81 -20.676 0.096 2.669 1.00 0.81 C ATOM 1191 O ALA A 81 -21.431 0.987 3.007 1.00 0.85 O ATOM 1192 CB ALA A 81 -21.153 -0.434 0.260 1.00 0.79 C ATOM 0 H ALA A 81 -19.067 -1.758 0.738 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.768 1.041 0.954 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -21.998 0.255 0.269 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.724 -0.469 -0.741 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -21.494 -1.430 0.543 1.00 0.79 H new ATOM 1198 N ALA A 82 -20.321 -0.843 3.503 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.844 -0.837 4.901 1.00 0.80 C ATOM 1200 C ALA A 82 -19.999 0.119 5.751 1.00 0.79 C ATOM 1201 O ALA A 82 -20.318 0.400 6.890 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.759 -2.248 5.485 1.00 0.87 C ATOM 0 H ALA A 82 -19.692 -1.614 3.278 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.883 -0.508 4.901 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -21.141 -2.243 6.506 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -21.355 -2.930 4.878 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.720 -2.579 5.488 1.00 0.87 H new ATOM 1208 N VAL A 83 -18.928 0.627 5.200 1.00 0.80 N ATOM 1209 CA VAL A 83 -18.057 1.574 5.961 1.00 0.85 C ATOM 1210 C VAL A 83 -18.521 3.008 5.706 1.00 0.99 C ATOM 1211 O VAL A 83 -18.101 3.661 4.772 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.603 1.428 5.500 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.687 2.249 6.409 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.185 -0.042 5.552 1.00 1.40 C ATOM 0 H VAL A 83 -18.617 0.426 4.250 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.125 1.346 7.025 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.518 1.791 4.476 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.654 2.142 6.077 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -15.976 3.299 6.364 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -15.777 1.892 7.435 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -15.150 -0.138 5.223 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.276 -0.410 6.574 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.830 -0.627 4.896 1.00 1.40 H new ATOM 1273 N PRO A 88 -12.304 8.212 9.521 1.00 0.77 N ATOM 1274 CA PRO A 88 -11.328 7.360 8.816 1.00 0.83 C ATOM 1275 C PRO A 88 -9.949 7.441 9.490 1.00 0.73 C ATOM 1276 O PRO A 88 -9.044 6.707 9.145 1.00 0.72 O ATOM 1277 CB PRO A 88 -11.277 7.928 7.373 1.00 1.01 C ATOM 1278 CG PRO A 88 -12.260 9.130 7.305 1.00 1.07 C ATOM 1279 CD PRO A 88 -12.853 9.326 8.713 1.00 0.83 C ATOM 0 HA PRO A 88 -11.611 6.308 8.830 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -10.265 8.247 7.123 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -11.558 7.162 6.650 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -11.741 10.031 6.979 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -13.051 8.938 6.580 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -12.569 10.292 9.129 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -13.942 9.297 8.690 1.00 0.83 H new ATOM 1287 N ARG A 89 -9.763 8.348 10.421 1.00 0.75 N ATOM 1288 CA ARG A 89 -8.415 8.470 11.062 1.00 0.73 C ATOM 1289 C ARG A 89 -8.251 7.406 12.153 1.00 0.67 C ATOM 1290 O ARG A 89 -7.250 6.721 12.209 1.00 0.68 O ATOM 1291 CB ARG A 89 -8.237 9.864 11.667 1.00 0.79 C ATOM 1292 CG ARG A 89 -8.531 10.938 10.618 1.00 1.63 C ATOM 1293 CD ARG A 89 -8.477 12.317 11.282 1.00 1.65 C ATOM 1294 NE ARG A 89 -7.154 12.490 11.949 1.00 2.07 N ATOM 1295 CZ ARG A 89 -6.771 13.672 12.348 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -7.552 14.704 12.182 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -5.606 13.821 12.918 1.00 3.10 N ATOM 0 H ARG A 89 -10.472 8.998 10.760 1.00 0.75 H new ATOM 0 HA ARG A 89 -7.653 8.318 10.297 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -8.905 9.986 12.520 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -7.219 9.979 12.040 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -7.803 10.882 9.809 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -9.513 10.772 10.175 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -8.627 13.098 10.537 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -9.281 12.414 12.012 1.00 1.65 H new ATOM 0 HE ARG A 89 -6.547 11.683 12.094 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -8.464 14.588 11.740 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -7.251 15.627 12.495 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -4.996 13.014 13.051 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -5.305 14.744 13.230 1.00 3.10 H new ATOM 1311 N GLU A 90 -9.219 7.248 13.015 1.00 0.65 N ATOM 1312 CA GLU A 90 -9.085 6.212 14.081 1.00 0.65 C ATOM 1313 C GLU A 90 -9.184 4.830 13.430 1.00 0.64 C ATOM 1314 O GLU A 90 -8.643 3.861 13.928 1.00 0.67 O ATOM 1315 CB GLU A 90 -10.187 6.395 15.133 1.00 0.71 C ATOM 1316 CG GLU A 90 -11.547 5.999 14.554 1.00 1.32 C ATOM 1317 CD GLU A 90 -12.655 6.445 15.510 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -12.691 7.620 15.838 1.00 2.78 O ATOM 1319 OE2 GLU A 90 -13.450 5.604 15.898 1.00 2.46 O ATOM 0 H GLU A 90 -10.087 7.784 13.029 1.00 0.65 H new ATOM 0 HA GLU A 90 -8.122 6.311 14.582 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -9.967 5.786 16.010 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -10.214 7.433 15.464 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -11.687 6.461 13.577 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -11.592 4.920 14.406 1.00 1.32 H new ATOM 1326 N VAL A 91 -9.868 4.728 12.324 1.00 0.64 N ATOM 1327 CA VAL A 91 -9.998 3.407 11.647 1.00 0.67 C ATOM 1328 C VAL A 91 -8.701 3.092 10.899 1.00 0.66 C ATOM 1329 O VAL A 91 -8.170 2.001 10.982 1.00 0.67 O ATOM 1330 CB VAL A 91 -11.162 3.456 10.656 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -11.311 2.096 9.970 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -12.452 3.790 11.407 1.00 0.75 C ATOM 0 H VAL A 91 -10.343 5.502 11.860 1.00 0.64 H new ATOM 0 HA VAL A 91 -10.187 2.632 12.389 1.00 0.67 H new ATOM 0 HB VAL A 91 -10.966 4.221 9.904 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -12.141 2.133 9.264 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -10.392 1.855 9.436 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -11.507 1.330 10.720 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -13.284 3.826 10.703 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -12.645 3.024 12.158 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -12.348 4.759 11.896 1.00 0.75 H new ATOM 1342 N PHE A 92 -8.194 4.039 10.160 1.00 0.64 N ATOM 1343 CA PHE A 92 -6.938 3.808 9.392 1.00 0.65 C ATOM 1344 C PHE A 92 -5.832 3.290 10.316 1.00 0.62 C ATOM 1345 O PHE A 92 -5.176 2.313 10.014 1.00 0.67 O ATOM 1346 CB PHE A 92 -6.485 5.124 8.754 1.00 0.65 C ATOM 1347 CG PHE A 92 -5.198 4.904 7.993 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -3.966 5.065 8.640 1.00 1.31 C ATOM 1349 CD2 PHE A 92 -5.237 4.542 6.641 1.00 1.44 C ATOM 1350 CE1 PHE A 92 -2.774 4.864 7.934 1.00 1.31 C ATOM 1351 CE2 PHE A 92 -4.044 4.341 5.936 1.00 1.47 C ATOM 1352 CZ PHE A 92 -2.813 4.501 6.583 1.00 0.73 C ATOM 0 H PHE A 92 -8.598 4.969 10.054 1.00 0.64 H new ATOM 0 HA PHE A 92 -7.131 3.064 8.619 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -7.257 5.498 8.082 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -6.339 5.881 9.524 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -3.936 5.344 9.683 1.00 1.31 H new ATOM 0 HD2 PHE A 92 -6.187 4.418 6.142 1.00 1.44 H new ATOM 0 HE1 PHE A 92 -1.824 4.989 8.432 1.00 1.31 H new ATOM 0 HE2 PHE A 92 -4.074 4.062 4.893 1.00 1.47 H new ATOM 0 HZ PHE A 92 -1.893 4.344 6.039 1.00 0.73 H new ATOM 1362 N PHE A 93 -5.595 3.938 11.428 1.00 0.58 N ATOM 1363 CA PHE A 93 -4.503 3.466 12.332 1.00 0.57 C ATOM 1364 C PHE A 93 -4.940 2.176 13.033 1.00 0.59 C ATOM 1365 O PHE A 93 -4.131 1.317 13.325 1.00 0.60 O ATOM 1366 CB PHE A 93 -4.176 4.553 13.358 1.00 0.57 C ATOM 1367 CG PHE A 93 -2.984 4.143 14.186 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -1.690 4.395 13.717 1.00 1.47 C ATOM 1369 CD2 PHE A 93 -3.171 3.520 15.426 1.00 1.15 C ATOM 1370 CE1 PHE A 93 -0.582 4.024 14.487 1.00 1.58 C ATOM 1371 CE2 PHE A 93 -2.062 3.148 16.196 1.00 1.07 C ATOM 1372 CZ PHE A 93 -0.768 3.400 15.726 1.00 0.70 C ATOM 0 H PHE A 93 -6.103 4.763 11.746 1.00 0.58 H new ATOM 0 HA PHE A 93 -3.606 3.260 11.747 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -3.968 5.494 12.849 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -5.036 4.724 14.005 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -1.546 4.876 12.761 1.00 1.47 H new ATOM 0 HD2 PHE A 93 -4.170 3.326 15.788 1.00 1.15 H new ATOM 0 HE1 PHE A 93 0.417 4.219 14.125 1.00 1.58 H new ATOM 0 HE2 PHE A 93 -2.205 2.667 17.152 1.00 1.07 H new ATOM 0 HZ PHE A 93 0.087 3.113 16.320 1.00 0.70 H new ATOM 1382 N ARG A 94 -6.208 2.020 13.290 1.00 0.62 N ATOM 1383 CA ARG A 94 -6.683 0.770 13.952 1.00 0.67 C ATOM 1384 C ARG A 94 -6.530 -0.393 12.973 1.00 0.66 C ATOM 1385 O ARG A 94 -5.879 -1.375 13.272 1.00 0.67 O ATOM 1386 CB ARG A 94 -8.150 0.931 14.362 1.00 0.72 C ATOM 1387 CG ARG A 94 -8.739 -0.408 14.833 1.00 0.89 C ATOM 1388 CD ARG A 94 -7.895 -0.993 15.969 1.00 1.00 C ATOM 1389 NE ARG A 94 -8.718 -1.981 16.724 1.00 1.95 N ATOM 1390 CZ ARG A 94 -8.150 -2.805 17.563 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -6.861 -2.755 17.756 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -8.874 -3.676 18.211 1.00 3.65 N ATOM 0 H ARG A 94 -6.936 2.701 13.072 1.00 0.62 H new ATOM 0 HA ARG A 94 -6.092 0.571 14.846 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -8.230 1.669 15.161 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -8.728 1.310 13.519 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -9.765 -0.262 15.172 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -8.775 -1.110 14.000 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -7.004 -1.474 15.567 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -7.556 -0.199 16.634 1.00 1.00 H new ATOM 0 HE ARG A 94 -9.728 -2.013 16.585 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -6.296 -2.072 17.251 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -6.418 -3.399 18.411 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -9.882 -3.713 18.062 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -8.432 -4.320 18.867 1.00 3.65 H new ATOM 1406 N VAL A 95 -7.106 -0.311 11.805 1.00 0.65 N ATOM 1407 CA VAL A 95 -6.963 -1.431 10.832 1.00 0.66 C ATOM 1408 C VAL A 95 -5.482 -1.630 10.501 1.00 0.66 C ATOM 1409 O VAL A 95 -4.984 -2.738 10.471 1.00 0.67 O ATOM 1410 CB VAL A 95 -7.734 -1.075 9.555 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -7.596 -2.205 8.534 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -9.214 -0.876 9.894 1.00 1.08 C ATOM 0 H VAL A 95 -7.666 0.478 11.483 1.00 0.65 H new ATOM 0 HA VAL A 95 -7.361 -2.351 11.259 1.00 0.66 H new ATOM 0 HB VAL A 95 -7.326 -0.156 9.133 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -8.146 -1.947 7.629 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -6.543 -2.349 8.291 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -8.001 -3.126 8.954 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -9.764 -0.623 8.988 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -9.617 -1.796 10.318 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -9.316 -0.068 10.618 1.00 1.08 H new ATOM 1422 N ALA A 96 -4.775 -0.562 10.253 1.00 0.65 N ATOM 1423 CA ALA A 96 -3.326 -0.679 9.925 1.00 0.68 C ATOM 1424 C ALA A 96 -2.576 -1.343 11.075 1.00 0.70 C ATOM 1425 O ALA A 96 -1.975 -2.387 10.932 1.00 0.76 O ATOM 1426 CB ALA A 96 -2.770 0.730 9.678 1.00 0.69 C ATOM 0 H ALA A 96 -5.140 0.390 10.263 1.00 0.65 H new ATOM 0 HA ALA A 96 -3.196 -1.294 9.034 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -1.709 0.665 9.436 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -3.304 1.191 8.847 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -2.901 1.335 10.575 1.00 0.69 H new ATOM 1432 N ALA A 97 -2.635 -0.726 12.228 1.00 0.74 N ATOM 1433 CA ALA A 97 -1.960 -1.281 13.434 1.00 0.78 C ATOM 1434 C ALA A 97 -2.280 -2.772 13.572 1.00 0.79 C ATOM 1435 O ALA A 97 -1.433 -3.563 13.936 1.00 0.83 O ATOM 1436 CB ALA A 97 -2.461 -0.545 14.681 1.00 0.77 C ATOM 0 H ALA A 97 -3.131 0.152 12.384 1.00 0.74 H new ATOM 0 HA ALA A 97 -0.883 -1.150 13.331 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -1.968 -0.950 15.565 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -2.233 0.517 14.593 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -3.539 -0.678 14.774 1.00 0.77 H new ATOM 1442 N ASP A 98 -3.490 -3.168 13.291 1.00 0.78 N ATOM 1443 CA ASP A 98 -3.842 -4.612 13.417 1.00 0.82 C ATOM 1444 C ASP A 98 -3.023 -5.431 12.413 1.00 0.83 C ATOM 1445 O ASP A 98 -2.591 -6.530 12.699 1.00 0.88 O ATOM 1446 CB ASP A 98 -5.333 -4.800 13.136 1.00 0.82 C ATOM 1447 CG ASP A 98 -6.147 -3.986 14.144 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -5.616 -3.685 15.200 1.00 2.13 O ATOM 1449 OD2 ASP A 98 -7.289 -3.678 13.843 1.00 2.19 O ATOM 0 H ASP A 98 -4.247 -2.559 12.981 1.00 0.78 H new ATOM 0 HA ASP A 98 -3.618 -4.952 14.428 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -5.566 -4.480 12.121 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -5.597 -5.855 13.206 1.00 0.82 H new ATOM 1454 N MET A 99 -2.821 -4.909 11.234 1.00 0.81 N ATOM 1455 CA MET A 99 -2.047 -5.657 10.200 1.00 0.85 C ATOM 1456 C MET A 99 -0.546 -5.572 10.491 1.00 0.97 C ATOM 1457 O MET A 99 0.256 -6.162 9.794 1.00 1.14 O ATOM 1458 CB MET A 99 -2.323 -5.048 8.818 1.00 0.79 C ATOM 1459 CG MET A 99 -3.792 -5.285 8.402 1.00 0.81 C ATOM 1460 SD MET A 99 -3.886 -5.487 6.599 1.00 0.97 S ATOM 1461 CE MET A 99 -5.121 -4.207 6.250 1.00 0.48 C ATOM 0 H MET A 99 -3.160 -3.993 10.940 1.00 0.81 H new ATOM 0 HA MET A 99 -2.356 -6.702 10.219 1.00 0.85 H new ATOM 0 HB2 MET A 99 -2.113 -3.979 8.838 1.00 0.79 H new ATOM 0 HB3 MET A 99 -1.654 -5.491 8.080 1.00 0.79 H new ATOM 0 HG2 MET A 99 -4.183 -6.173 8.899 1.00 0.81 H new ATOM 0 HG3 MET A 99 -4.411 -4.445 8.717 1.00 0.81 H new ATOM 0 HE1 MET A 99 -5.089 -3.949 5.191 1.00 0.48 H new ATOM 0 HE2 MET A 99 -6.113 -4.581 6.502 1.00 0.48 H new ATOM 0 HE3 MET A 99 -4.905 -3.320 6.846 1.00 0.48 H new ATOM 1600 N ARG A 109 1.414 -8.613 3.444 1.00 0.86 N ATOM 1601 CA ARG A 109 0.290 -7.847 4.040 1.00 0.87 C ATOM 1602 C ARG A 109 0.386 -6.415 3.531 1.00 0.70 C ATOM 1603 O ARG A 109 -0.598 -5.732 3.332 1.00 0.81 O ATOM 1604 CB ARG A 109 0.377 -7.877 5.573 1.00 1.08 C ATOM 1605 CG ARG A 109 -0.055 -9.260 6.136 1.00 1.48 C ATOM 1606 CD ARG A 109 -0.975 -9.070 7.347 1.00 1.96 C ATOM 1607 NE ARG A 109 -1.459 -10.398 7.810 1.00 2.74 N ATOM 1608 CZ ARG A 109 -2.035 -10.511 8.973 1.00 3.19 C ATOM 1609 NH1 ARG A 109 -2.177 -9.461 9.734 1.00 3.19 N ATOM 1610 NH2 ARG A 109 -2.468 -11.674 9.374 1.00 4.08 N ATOM 0 HA ARG A 109 -0.665 -8.288 3.754 1.00 0.87 H new ATOM 0 HB2 ARG A 109 1.398 -7.657 5.886 1.00 1.08 H new ATOM 0 HB3 ARG A 109 -0.259 -7.097 5.991 1.00 1.08 H new ATOM 0 HG2 ARG A 109 -0.570 -9.831 5.364 1.00 1.48 H new ATOM 0 HG3 ARG A 109 0.825 -9.835 6.424 1.00 1.48 H new ATOM 0 HD2 ARG A 109 -0.438 -8.566 8.150 1.00 1.96 H new ATOM 0 HD3 ARG A 109 -1.820 -8.435 7.080 1.00 1.96 H new ATOM 0 HE ARG A 109 -1.340 -11.220 7.217 1.00 2.74 H new ATOM 0 HH11 ARG A 109 -1.837 -8.553 9.418 1.00 3.19 H new ATOM 0 HH12 ARG A 109 -2.628 -9.548 10.645 1.00 3.19 H new ATOM 0 HH21 ARG A 109 -2.355 -12.494 8.777 1.00 4.08 H new ATOM 0 HH22 ARG A 109 -2.919 -11.764 10.284 1.00 4.08 H new ATOM 1624 N VAL A 110 1.601 -5.965 3.323 1.00 0.60 N ATOM 1625 CA VAL A 110 1.820 -4.583 2.830 1.00 0.68 C ATOM 1626 C VAL A 110 1.073 -4.408 1.515 1.00 0.56 C ATOM 1627 O VAL A 110 0.499 -3.368 1.265 1.00 0.60 O ATOM 1628 CB VAL A 110 3.316 -4.325 2.622 1.00 0.88 C ATOM 1629 CG1 VAL A 110 3.544 -2.863 2.234 1.00 1.27 C ATOM 1630 CG2 VAL A 110 4.077 -4.635 3.913 1.00 1.73 C ATOM 0 H VAL A 110 2.452 -6.506 3.477 1.00 0.60 H new ATOM 0 HA VAL A 110 1.448 -3.869 3.565 1.00 0.68 H new ATOM 0 HB VAL A 110 3.680 -4.970 1.822 1.00 0.88 H new ATOM 0 HG11 VAL A 110 4.610 -2.687 2.088 1.00 1.27 H new ATOM 0 HG12 VAL A 110 3.010 -2.644 1.309 1.00 1.27 H new ATOM 0 HG13 VAL A 110 3.175 -2.214 3.028 1.00 1.27 H new ATOM 0 HG21 VAL A 110 5.141 -4.451 3.762 1.00 1.73 H new ATOM 0 HG22 VAL A 110 3.708 -3.996 4.715 1.00 1.73 H new ATOM 0 HG23 VAL A 110 3.925 -5.680 4.183 1.00 1.73 H new ATOM 1640 N VAL A 111 1.035 -5.395 0.664 1.00 0.51 N ATOM 1641 CA VAL A 111 0.280 -5.207 -0.603 1.00 0.50 C ATOM 1642 C VAL A 111 -1.152 -4.824 -0.227 1.00 0.46 C ATOM 1643 O VAL A 111 -1.756 -3.948 -0.813 1.00 0.47 O ATOM 1644 CB VAL A 111 0.301 -6.513 -1.398 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -0.385 -6.307 -2.748 1.00 1.41 C ATOM 1646 CG2 VAL A 111 1.753 -6.943 -1.623 1.00 1.36 C ATOM 0 H VAL A 111 1.483 -6.303 0.787 1.00 0.51 H new ATOM 0 HA VAL A 111 0.724 -4.426 -1.221 1.00 0.50 H new ATOM 0 HB VAL A 111 -0.229 -7.286 -0.841 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -0.368 -7.240 -3.311 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -1.418 -5.999 -2.588 1.00 1.41 H new ATOM 0 HG13 VAL A 111 0.141 -5.535 -3.309 1.00 1.41 H new ATOM 0 HG21 VAL A 111 1.773 -7.874 -2.190 1.00 1.36 H new ATOM 0 HG22 VAL A 111 2.280 -6.168 -2.180 1.00 1.36 H new ATOM 0 HG23 VAL A 111 2.241 -7.094 -0.660 1.00 1.36 H new ATOM 1656 N ALA A 112 -1.686 -5.483 0.772 1.00 0.45 N ATOM 1657 CA ALA A 112 -3.074 -5.170 1.235 1.00 0.47 C ATOM 1658 C ALA A 112 -3.135 -3.727 1.760 1.00 0.46 C ATOM 1659 O ALA A 112 -4.190 -3.126 1.801 1.00 0.54 O ATOM 1660 CB ALA A 112 -3.485 -6.155 2.341 1.00 0.53 C ATOM 0 H ALA A 112 -1.218 -6.228 1.289 1.00 0.45 H new ATOM 0 HA ALA A 112 -3.765 -5.269 0.398 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -4.496 -5.924 2.676 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -3.455 -7.173 1.952 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -2.796 -6.067 3.181 1.00 0.53 H new ATOM 1666 N LEU A 113 -2.028 -3.151 2.130 1.00 0.43 N ATOM 1667 CA LEU A 113 -2.060 -1.737 2.609 1.00 0.43 C ATOM 1668 C LEU A 113 -2.294 -0.811 1.408 1.00 0.42 C ATOM 1669 O LEU A 113 -3.182 0.019 1.414 1.00 0.45 O ATOM 1670 CB LEU A 113 -0.718 -1.386 3.271 1.00 0.44 C ATOM 1671 CG LEU A 113 -0.721 0.071 3.775 1.00 0.51 C ATOM 1672 CD1 LEU A 113 -1.918 0.321 4.711 1.00 1.45 C ATOM 1673 CD2 LEU A 113 0.586 0.322 4.533 1.00 1.27 C ATOM 0 H LEU A 113 -1.108 -3.591 2.123 1.00 0.43 H new ATOM 0 HA LEU A 113 -2.862 -1.613 3.336 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -0.530 -2.063 4.104 1.00 0.44 H new ATOM 0 HB3 LEU A 113 0.093 -1.527 2.556 1.00 0.44 H new ATOM 0 HG LEU A 113 -0.806 0.749 2.925 1.00 0.51 H new ATOM 0 HD11 LEU A 113 -1.901 1.355 5.055 1.00 1.45 H new ATOM 0 HD12 LEU A 113 -2.847 0.133 4.172 1.00 1.45 H new ATOM 0 HD13 LEU A 113 -1.855 -0.348 5.569 1.00 1.45 H new ATOM 0 HD21 LEU A 113 0.603 1.349 4.898 1.00 1.27 H new ATOM 0 HD22 LEU A 113 0.655 -0.364 5.377 1.00 1.27 H new ATOM 0 HD23 LEU A 113 1.431 0.160 3.864 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.503 -0.952 0.379 1.00 0.40 N ATOM 1686 CA PHE A 114 -1.669 -0.094 -0.833 1.00 0.40 C ATOM 1687 C PHE A 114 -3.108 -0.150 -1.352 1.00 0.39 C ATOM 1688 O PHE A 114 -3.684 0.852 -1.723 1.00 0.41 O ATOM 1689 CB PHE A 114 -0.727 -0.579 -1.944 1.00 0.41 C ATOM 1690 CG PHE A 114 0.711 -0.657 -1.451 1.00 0.44 C ATOM 1691 CD1 PHE A 114 1.249 0.339 -0.613 1.00 1.29 C ATOM 1692 CD2 PHE A 114 1.517 -1.734 -1.848 1.00 1.27 C ATOM 1693 CE1 PHE A 114 2.575 0.249 -0.180 1.00 1.38 C ATOM 1694 CE2 PHE A 114 2.846 -1.818 -1.412 1.00 1.27 C ATOM 1695 CZ PHE A 114 3.373 -0.828 -0.577 1.00 0.68 C ATOM 0 H PHE A 114 -0.743 -1.630 0.324 1.00 0.40 H new ATOM 0 HA PHE A 114 -1.430 0.932 -0.554 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -1.048 -1.560 -2.294 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -0.786 0.098 -2.796 1.00 0.41 H new ATOM 0 HD1 PHE A 114 0.636 1.173 -0.305 1.00 1.29 H new ATOM 0 HD2 PHE A 114 1.112 -2.501 -2.492 1.00 1.27 H new ATOM 0 HE1 PHE A 114 2.984 1.014 0.463 1.00 1.38 H new ATOM 0 HE2 PHE A 114 3.464 -2.648 -1.721 1.00 1.27 H new ATOM 0 HZ PHE A 114 4.396 -0.895 -0.239 1.00 0.68 H new ATOM 1705 N TYR A 115 -3.686 -1.318 -1.397 1.00 0.40 N ATOM 1706 CA TYR A 115 -5.079 -1.439 -1.914 1.00 0.41 C ATOM 1707 C TYR A 115 -6.072 -0.778 -0.953 1.00 0.41 C ATOM 1708 O TYR A 115 -6.959 -0.058 -1.366 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.441 -2.917 -2.079 1.00 0.44 C ATOM 1710 CG TYR A 115 -6.832 -3.032 -2.661 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -7.042 -2.775 -4.021 1.00 1.28 C ATOM 1712 CD2 TYR A 115 -7.910 -3.395 -1.843 1.00 1.24 C ATOM 1713 CE1 TYR A 115 -8.328 -2.879 -4.563 1.00 1.32 C ATOM 1714 CE2 TYR A 115 -9.197 -3.499 -2.386 1.00 1.26 C ATOM 1715 CZ TYR A 115 -9.406 -3.241 -3.746 1.00 0.61 C ATOM 1716 OH TYR A 115 -10.673 -3.343 -4.282 1.00 0.70 O ATOM 0 H TYR A 115 -3.255 -2.193 -1.099 1.00 0.40 H new ATOM 0 HA TYR A 115 -5.134 -0.935 -2.879 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -4.720 -3.409 -2.732 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.395 -3.424 -1.115 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -6.211 -2.496 -4.652 1.00 1.28 H new ATOM 0 HD2 TYR A 115 -7.749 -3.595 -0.794 1.00 1.24 H new ATOM 0 HE1 TYR A 115 -8.489 -2.680 -5.612 1.00 1.32 H new ATOM 0 HE2 TYR A 115 -10.028 -3.778 -1.755 1.00 1.26 H new ATOM 0 HH TYR A 115 -11.305 -3.605 -3.580 1.00 0.70 H new ATOM 1726 N PHE A 116 -5.939 -1.013 0.321 1.00 0.38 N ATOM 1727 CA PHE A 116 -6.891 -0.392 1.284 1.00 0.38 C ATOM 1728 C PHE A 116 -6.864 1.132 1.130 1.00 0.36 C ATOM 1729 O PHE A 116 -7.893 1.780 1.089 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.488 -0.761 2.715 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.420 -0.082 3.700 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.781 -0.421 3.727 1.00 1.35 C ATOM 1733 CD2 PHE A 116 -6.925 0.884 4.589 1.00 1.17 C ATOM 1734 CE1 PHE A 116 -9.641 0.203 4.639 1.00 1.37 C ATOM 1735 CE2 PHE A 116 -7.787 1.506 5.501 1.00 1.18 C ATOM 1736 CZ PHE A 116 -9.144 1.165 5.525 1.00 0.45 C ATOM 0 H PHE A 116 -5.218 -1.604 0.736 1.00 0.38 H new ATOM 0 HA PHE A 116 -7.896 -0.760 1.079 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.529 -1.842 2.847 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.459 -0.455 2.903 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.166 -1.164 3.044 1.00 1.35 H new ATOM 0 HD2 PHE A 116 -5.878 1.148 4.570 1.00 1.17 H new ATOM 0 HE1 PHE A 116 -10.689 -0.058 4.658 1.00 1.37 H new ATOM 0 HE2 PHE A 116 -7.404 2.249 6.186 1.00 1.18 H new ATOM 0 HZ PHE A 116 -9.808 1.645 6.228 1.00 0.45 H new ATOM 1746 N ALA A 117 -5.697 1.712 1.037 1.00 0.35 N ATOM 1747 CA ALA A 117 -5.617 3.188 0.882 1.00 0.34 C ATOM 1748 C ALA A 117 -6.157 3.589 -0.490 1.00 0.34 C ATOM 1749 O ALA A 117 -6.793 4.611 -0.639 1.00 0.34 O ATOM 1750 CB ALA A 117 -4.161 3.643 1.015 1.00 0.37 C ATOM 0 H ALA A 117 -4.800 1.227 1.062 1.00 0.35 H new ATOM 0 HA ALA A 117 -6.215 3.665 1.659 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -4.106 4.726 0.901 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -3.780 3.362 1.997 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -3.559 3.166 0.242 1.00 0.37 H new ATOM 1756 N SER A 118 -5.922 2.792 -1.498 1.00 0.35 N ATOM 1757 CA SER A 118 -6.428 3.135 -2.857 1.00 0.37 C ATOM 1758 C SER A 118 -7.911 3.508 -2.792 1.00 0.36 C ATOM 1759 O SER A 118 -8.353 4.469 -3.388 1.00 0.36 O ATOM 1760 CB SER A 118 -6.239 1.922 -3.777 1.00 0.42 C ATOM 1761 OG SER A 118 -6.070 2.368 -5.117 1.00 1.25 O ATOM 0 H SER A 118 -5.401 1.917 -1.438 1.00 0.35 H new ATOM 0 HA SER A 118 -5.872 3.988 -3.246 1.00 0.37 H new ATOM 0 HB2 SER A 118 -5.370 1.344 -3.462 1.00 0.42 H new ATOM 0 HB3 SER A 118 -7.103 1.261 -3.708 1.00 0.42 H new ATOM 0 HG SER A 118 -5.325 1.885 -5.531 1.00 1.25 H new ATOM 1767 N LYS A 119 -8.671 2.763 -2.041 1.00 0.37 N ATOM 1768 CA LYS A 119 -10.119 3.073 -1.896 1.00 0.39 C ATOM 1769 C LYS A 119 -10.263 4.426 -1.189 1.00 0.36 C ATOM 1770 O LYS A 119 -10.955 5.303 -1.668 1.00 0.38 O ATOM 1771 CB LYS A 119 -10.798 1.958 -1.076 1.00 0.46 C ATOM 1772 CG LYS A 119 -12.219 1.694 -1.599 1.00 1.29 C ATOM 1773 CD LYS A 119 -12.169 0.711 -2.774 1.00 1.84 C ATOM 1774 CE LYS A 119 -13.555 0.599 -3.410 1.00 2.48 C ATOM 1775 NZ LYS A 119 -13.534 -0.461 -4.458 1.00 3.36 N ATOM 0 H LYS A 119 -8.349 1.948 -1.519 1.00 0.37 H new ATOM 0 HA LYS A 119 -10.598 3.127 -2.874 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -10.207 1.044 -1.135 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -10.838 2.245 -0.025 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -12.840 1.288 -0.800 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -12.679 2.630 -1.916 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -11.445 1.050 -3.514 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -11.837 -0.268 -2.428 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -14.298 0.359 -2.649 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -13.844 1.554 -3.849 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -14.476 -0.539 -4.892 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -12.836 -0.214 -5.188 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -13.276 -1.371 -4.026 1.00 3.36 H new ATOM 1789 N LEU A 120 -9.607 4.626 -0.081 1.00 0.36 N ATOM 1790 CA LEU A 120 -9.711 5.951 0.600 1.00 0.35 C ATOM 1791 C LEU A 120 -9.427 7.051 -0.430 1.00 0.33 C ATOM 1792 O LEU A 120 -10.092 8.067 -0.480 1.00 0.39 O ATOM 1793 CB LEU A 120 -8.683 6.022 1.732 1.00 0.36 C ATOM 1794 CG LEU A 120 -8.872 4.831 2.685 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -7.887 4.959 3.849 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -10.311 4.810 3.232 1.00 1.28 C ATOM 0 H LEU A 120 -9.009 3.940 0.380 1.00 0.36 H new ATOM 0 HA LEU A 120 -10.709 6.084 1.018 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -7.674 6.013 1.320 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -8.795 6.958 2.279 1.00 0.36 H new ATOM 0 HG LEU A 120 -8.688 3.905 2.141 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -8.016 4.117 4.529 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -6.867 4.962 3.464 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -8.075 5.890 4.384 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -10.432 3.962 3.906 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -10.508 5.735 3.774 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -11.014 4.719 2.404 1.00 1.28 H new ATOM 1808 N VAL A 121 -8.454 6.826 -1.268 1.00 0.33 N ATOM 1809 CA VAL A 121 -8.108 7.809 -2.334 1.00 0.39 C ATOM 1810 C VAL A 121 -9.187 7.800 -3.423 1.00 0.36 C ATOM 1811 O VAL A 121 -9.921 8.751 -3.587 1.00 0.39 O ATOM 1812 CB VAL A 121 -6.767 7.426 -2.968 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -6.421 8.425 -4.076 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -5.667 7.443 -1.904 1.00 1.18 C ATOM 0 H VAL A 121 -7.873 5.987 -1.259 1.00 0.33 H new ATOM 0 HA VAL A 121 -8.042 8.802 -1.890 1.00 0.39 H new ATOM 0 HB VAL A 121 -6.843 6.424 -3.391 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -5.467 8.152 -4.527 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -7.200 8.408 -4.838 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -6.349 9.427 -3.653 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -4.715 7.170 -2.360 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.591 8.442 -1.476 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -5.911 6.729 -1.117 1.00 1.18 H new ATOM 1824 N LEU A 122 -9.281 6.736 -4.183 1.00 0.37 N ATOM 1825 CA LEU A 122 -10.308 6.683 -5.267 1.00 0.39 C ATOM 1826 C LEU A 122 -11.650 7.178 -4.726 1.00 0.40 C ATOM 1827 O LEU A 122 -12.297 8.017 -5.321 1.00 0.40 O ATOM 1828 CB LEU A 122 -10.451 5.247 -5.785 1.00 0.42 C ATOM 1829 CG LEU A 122 -9.119 4.762 -6.378 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -9.182 3.248 -6.590 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -8.854 5.435 -7.734 1.00 1.24 C ATOM 0 H LEU A 122 -8.694 5.906 -4.099 1.00 0.37 H new ATOM 0 HA LEU A 122 -9.993 7.324 -6.090 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -10.757 4.588 -4.972 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -11.233 5.202 -6.543 1.00 0.42 H new ATOM 0 HG LEU A 122 -8.317 5.019 -5.686 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -8.239 2.900 -7.011 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -9.357 2.754 -5.634 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -9.995 3.010 -7.276 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -7.906 5.079 -8.138 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -9.659 5.188 -8.426 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -8.808 6.516 -7.601 1.00 1.24 H new ATOM 1843 N LYS A 123 -12.072 6.678 -3.599 1.00 0.51 N ATOM 1844 CA LYS A 123 -13.362 7.148 -3.032 1.00 0.55 C ATOM 1845 C LYS A 123 -13.298 8.666 -2.869 1.00 0.54 C ATOM 1846 O LYS A 123 -14.284 9.353 -3.027 1.00 0.55 O ATOM 1847 CB LYS A 123 -13.609 6.497 -1.665 1.00 0.59 C ATOM 1848 CG LYS A 123 -15.085 6.676 -1.251 1.00 0.97 C ATOM 1849 CD LYS A 123 -15.936 5.515 -1.799 1.00 1.37 C ATOM 1850 CE LYS A 123 -15.632 4.203 -1.038 1.00 1.74 C ATOM 1851 NZ LYS A 123 -15.090 3.195 -1.992 1.00 2.32 N ATOM 0 H LYS A 123 -11.583 5.970 -3.051 1.00 0.51 H new ATOM 0 HA LYS A 123 -14.177 6.873 -3.702 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -13.362 5.436 -1.709 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -12.956 6.946 -0.916 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -15.164 6.713 -0.164 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -15.464 7.625 -1.630 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -16.994 5.758 -1.705 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -15.733 5.380 -2.861 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -14.913 4.390 -0.241 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -16.539 3.824 -0.567 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -14.743 2.369 -1.464 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -15.841 2.897 -2.646 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -14.307 3.614 -2.532 1.00 2.32 H new ATOM 1865 N ALA A 124 -12.141 9.193 -2.546 1.00 0.52 N ATOM 1866 CA ALA A 124 -12.019 10.668 -2.363 1.00 0.52 C ATOM 1867 C ALA A 124 -11.985 11.365 -3.723 1.00 0.51 C ATOM 1868 O ALA A 124 -12.420 12.488 -3.875 1.00 0.54 O ATOM 1869 CB ALA A 124 -10.753 11.005 -1.593 1.00 0.51 C ATOM 0 H ALA A 124 -11.280 8.665 -2.402 1.00 0.52 H new ATOM 0 HA ALA A 124 -12.884 11.016 -1.798 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -10.680 12.085 -1.468 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -10.785 10.528 -0.613 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -9.885 10.644 -2.144 1.00 0.51 H new ATOM 1875 N LEU A 125 -11.472 10.693 -4.719 1.00 0.47 N ATOM 1876 CA LEU A 125 -11.403 11.284 -6.072 1.00 0.47 C ATOM 1877 C LEU A 125 -12.820 11.584 -6.569 1.00 0.48 C ATOM 1878 O LEU A 125 -13.093 12.641 -7.101 1.00 0.48 O ATOM 1879 CB LEU A 125 -10.749 10.266 -7.014 1.00 0.51 C ATOM 1880 CG LEU A 125 -10.435 10.934 -8.372 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -8.979 11.413 -8.406 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -10.661 9.937 -9.516 1.00 1.21 C ATOM 0 H LEU A 125 -11.095 9.748 -4.644 1.00 0.47 H new ATOM 0 HA LEU A 125 -10.823 12.207 -6.047 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -9.832 9.881 -6.568 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -11.414 9.415 -7.162 1.00 0.51 H new ATOM 0 HG LEU A 125 -11.100 11.789 -8.495 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -8.772 11.881 -9.368 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -8.815 12.137 -7.608 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -8.313 10.562 -8.266 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -10.437 10.418 -10.468 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -10.007 9.075 -9.382 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -11.700 9.608 -9.512 1.00 1.21 H new ATOM 1894 N CYS A 126 -13.721 10.655 -6.406 1.00 0.52 N ATOM 1895 CA CYS A 126 -15.121 10.877 -6.876 1.00 0.57 C ATOM 1896 C CYS A 126 -15.776 11.973 -6.033 1.00 0.57 C ATOM 1897 O CYS A 126 -16.534 12.788 -6.516 1.00 0.68 O ATOM 1898 CB CYS A 126 -15.916 9.577 -6.731 1.00 0.66 C ATOM 1899 SG CYS A 126 -15.138 8.279 -7.723 1.00 1.67 S ATOM 0 H CYS A 126 -13.550 9.750 -5.967 1.00 0.52 H new ATOM 0 HA CYS A 126 -15.110 11.184 -7.922 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -15.953 9.276 -5.684 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -16.945 9.730 -7.056 1.00 0.66 H new ATOM 0 HG CYS A 126 -15.812 7.174 -7.598 1.00 1.67 H new ATOM 1905 N THR A 127 -15.485 11.972 -4.768 1.00 0.57 N ATOM 1906 CA THR A 127 -16.078 12.988 -3.866 1.00 0.60 C ATOM 1907 C THR A 127 -15.560 14.380 -4.266 1.00 0.62 C ATOM 1908 O THR A 127 -16.052 15.394 -3.817 1.00 0.70 O ATOM 1909 CB THR A 127 -15.653 12.650 -2.421 1.00 0.60 C ATOM 1910 OG1 THR A 127 -14.853 11.501 -2.442 1.00 1.14 O ATOM 1911 CG2 THR A 127 -16.873 12.385 -1.525 1.00 1.19 C ATOM 0 H THR A 127 -14.857 11.306 -4.317 1.00 0.57 H new ATOM 0 HA THR A 127 -17.166 12.987 -3.939 1.00 0.60 H new ATOM 0 HB THR A 127 -15.105 13.501 -2.016 1.00 0.60 H new ATOM 0 HG1 THR A 127 -15.412 10.717 -2.623 1.00 1.14 H new ATOM 0 HG21 THR A 127 -16.538 12.150 -0.515 1.00 1.19 H new ATOM 0 HG22 THR A 127 -17.506 13.272 -1.500 1.00 1.19 H new ATOM 0 HG23 THR A 127 -17.441 11.545 -1.923 1.00 1.19 H new ATOM 1919 N LYS A 128 -14.543 14.406 -5.103 1.00 0.60 N ATOM 1920 CA LYS A 128 -13.943 15.700 -5.556 1.00 0.70 C ATOM 1921 C LYS A 128 -13.427 16.489 -4.354 1.00 0.61 C ATOM 1922 O LYS A 128 -13.923 17.561 -4.062 1.00 0.60 O ATOM 1923 CB LYS A 128 -14.974 16.538 -6.320 1.00 0.87 C ATOM 1924 CG LYS A 128 -15.382 15.814 -7.602 1.00 1.12 C ATOM 1925 CD LYS A 128 -16.473 16.618 -8.311 1.00 1.43 C ATOM 1926 CE LYS A 128 -16.873 15.911 -9.606 1.00 1.83 C ATOM 1927 NZ LYS A 128 -17.396 14.552 -9.290 1.00 2.47 N ATOM 0 H LYS A 128 -14.101 13.574 -5.493 1.00 0.60 H new ATOM 0 HA LYS A 128 -13.111 15.476 -6.224 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -15.850 16.712 -5.695 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -14.555 17.515 -6.561 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -14.519 15.695 -8.257 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -15.745 14.813 -7.368 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -17.341 16.725 -7.660 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -16.113 17.623 -8.530 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -17.632 16.492 -10.130 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -16.013 15.836 -10.272 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -17.969 14.207 -10.086 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -16.600 13.903 -9.129 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -17.985 14.597 -8.434 1.00 2.47 H new ATOM 1941 N VAL A 129 -12.430 15.993 -3.652 1.00 0.60 N ATOM 1942 CA VAL A 129 -11.890 16.747 -2.477 1.00 0.53 C ATOM 1943 C VAL A 129 -10.355 16.577 -2.434 1.00 0.53 C ATOM 1944 O VAL A 129 -9.868 15.709 -1.738 1.00 0.56 O ATOM 1945 CB VAL A 129 -12.493 16.170 -1.197 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -11.975 16.953 0.006 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -14.017 16.274 -1.257 1.00 1.22 C ATOM 0 H VAL A 129 -11.971 15.102 -3.843 1.00 0.60 H new ATOM 0 HA VAL A 129 -12.144 17.804 -2.563 1.00 0.53 H new ATOM 0 HB VAL A 129 -12.206 15.123 -1.100 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -12.404 16.542 0.920 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -10.889 16.877 0.049 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -12.261 18.000 -0.091 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -14.446 15.862 -0.344 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -14.307 17.320 -1.354 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -14.386 15.714 -2.116 1.00 1.22 H new ATOM 1957 N PRO A 130 -9.625 17.391 -3.182 1.00 0.62 N ATOM 1958 CA PRO A 130 -8.149 17.294 -3.214 1.00 0.73 C ATOM 1959 C PRO A 130 -7.570 17.543 -1.816 1.00 0.65 C ATOM 1960 O PRO A 130 -6.424 17.231 -1.548 1.00 0.64 O ATOM 1961 CB PRO A 130 -7.690 18.345 -4.246 1.00 1.00 C ATOM 1962 CG PRO A 130 -8.966 19.082 -4.753 1.00 1.00 C ATOM 1963 CD PRO A 130 -10.188 18.459 -4.036 1.00 0.75 C ATOM 0 HA PRO A 130 -7.798 16.303 -3.502 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -6.993 19.050 -3.793 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -7.167 17.868 -5.075 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -8.901 20.149 -4.540 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -9.063 18.978 -5.834 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -10.718 19.203 -3.441 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -10.903 18.056 -4.753 1.00 0.75 H new ATOM 1971 N GLU A 131 -8.357 18.031 -0.909 1.00 0.73 N ATOM 1972 CA GLU A 131 -7.853 18.214 0.476 1.00 0.82 C ATOM 1973 C GLU A 131 -7.638 16.832 1.090 1.00 0.72 C ATOM 1974 O GLU A 131 -6.798 16.615 1.944 1.00 0.73 O ATOM 1975 CB GLU A 131 -8.917 18.953 1.298 1.00 1.09 C ATOM 1976 CG GLU A 131 -9.177 20.321 0.662 1.00 1.55 C ATOM 1977 CD GLU A 131 -10.018 21.178 1.607 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -9.437 21.828 2.461 1.00 2.52 O ATOM 1979 OE2 GLU A 131 -11.229 21.173 1.460 1.00 2.86 O ATOM 0 H GLU A 131 -9.326 18.311 -1.063 1.00 0.73 H new ATOM 0 HA GLU A 131 -6.923 18.783 0.471 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -9.838 18.372 1.330 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -8.580 19.074 2.328 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -8.231 20.819 0.449 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -9.694 20.198 -0.290 1.00 1.55 H new ATOM 1986 N LEU A 132 -8.414 15.887 0.623 1.00 0.71 N ATOM 1987 CA LEU A 132 -8.338 14.480 1.108 1.00 0.69 C ATOM 1988 C LEU A 132 -7.170 13.740 0.446 1.00 0.58 C ATOM 1989 O LEU A 132 -6.243 13.329 1.110 1.00 0.59 O ATOM 1990 CB LEU A 132 -9.666 13.775 0.709 1.00 0.80 C ATOM 1991 CG LEU A 132 -10.368 13.098 1.900 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -9.401 12.138 2.615 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -10.890 14.158 2.879 1.00 0.77 C ATOM 0 H LEU A 132 -9.119 16.041 -0.098 1.00 0.71 H new ATOM 0 HA LEU A 132 -8.186 14.471 2.187 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -10.341 14.507 0.265 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -9.458 13.027 -0.056 1.00 0.80 H new ATOM 0 HG LEU A 132 -11.214 12.522 1.526 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -9.911 11.667 3.455 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -9.067 11.371 1.916 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -8.539 12.696 2.981 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -11.385 13.667 3.717 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -10.056 14.754 3.249 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -11.601 14.807 2.368 1.00 0.77 H new ATOM 2005 N ILE A 133 -7.226 13.556 -0.848 1.00 0.52 N ATOM 2006 CA ILE A 133 -6.141 12.811 -1.557 1.00 0.46 C ATOM 2007 C ILE A 133 -4.765 13.149 -0.979 1.00 0.43 C ATOM 2008 O ILE A 133 -3.977 12.271 -0.688 1.00 0.46 O ATOM 2009 CB ILE A 133 -6.167 13.139 -3.047 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -7.547 12.803 -3.622 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -5.100 12.307 -3.758 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -7.651 13.335 -5.052 1.00 1.19 C ATOM 0 H ILE A 133 -7.980 13.891 -1.447 1.00 0.52 H new ATOM 0 HA ILE A 133 -6.319 11.745 -1.415 1.00 0.46 H new ATOM 0 HB ILE A 133 -5.966 14.200 -3.195 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -7.703 11.724 -3.612 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -8.328 13.244 -3.002 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -5.111 12.535 -4.824 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -4.119 12.545 -3.346 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -5.308 11.247 -3.611 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -8.633 13.095 -5.459 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -7.514 14.416 -5.049 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -6.880 12.873 -5.669 1.00 1.19 H new ATOM 2024 N ARG A 134 -4.464 14.403 -0.803 1.00 0.42 N ATOM 2025 CA ARG A 134 -3.133 14.755 -0.239 1.00 0.43 C ATOM 2026 C ARG A 134 -3.060 14.242 1.204 1.00 0.40 C ATOM 2027 O ARG A 134 -2.044 13.742 1.650 1.00 0.39 O ATOM 2028 CB ARG A 134 -2.960 16.277 -0.261 1.00 0.51 C ATOM 2029 CG ARG A 134 -2.948 16.772 -1.712 1.00 1.26 C ATOM 2030 CD ARG A 134 -3.167 18.287 -1.744 1.00 1.57 C ATOM 2031 NE ARG A 134 -2.248 18.944 -0.773 1.00 2.30 N ATOM 2032 CZ ARG A 134 -2.051 20.233 -0.829 1.00 2.86 C ATOM 2033 NH1 ARG A 134 -2.657 20.948 -1.737 1.00 2.98 N ATOM 2034 NH2 ARG A 134 -1.246 20.807 0.023 1.00 3.71 N ATOM 0 H ARG A 134 -5.073 15.191 -1.022 1.00 0.42 H new ATOM 0 HA ARG A 134 -2.340 14.299 -0.831 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -3.771 16.753 0.290 1.00 0.51 H new ATOM 0 HB3 ARG A 134 -2.031 16.555 0.236 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -1.997 16.523 -2.183 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -3.729 16.270 -2.284 1.00 1.26 H new ATOM 0 HD2 ARG A 134 -2.986 18.670 -2.748 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -4.202 18.521 -1.496 1.00 1.57 H new ATOM 0 HE ARG A 134 -1.772 18.386 -0.064 1.00 2.30 H new ATOM 0 HH11 ARG A 134 -3.285 20.500 -2.404 1.00 2.98 H new ATOM 0 HH12 ARG A 134 -2.502 21.955 -1.780 1.00 2.98 H new ATOM 0 HH21 ARG A 134 -0.771 20.248 0.732 1.00 3.71 H new ATOM 0 HH22 ARG A 134 -1.092 21.814 -0.020 1.00 3.71 H new ATOM 2048 N THR A 135 -4.136 14.368 1.937 1.00 0.41 N ATOM 2049 CA THR A 135 -4.135 13.897 3.349 1.00 0.41 C ATOM 2050 C THR A 135 -4.044 12.365 3.410 1.00 0.39 C ATOM 2051 O THR A 135 -3.517 11.802 4.348 1.00 0.52 O ATOM 2052 CB THR A 135 -5.412 14.394 4.058 1.00 0.42 C ATOM 2053 OG1 THR A 135 -5.144 15.643 4.676 1.00 0.89 O ATOM 2054 CG2 THR A 135 -5.885 13.396 5.131 1.00 0.88 C ATOM 0 H THR A 135 -5.014 14.777 1.617 1.00 0.41 H new ATOM 0 HA THR A 135 -3.262 14.304 3.859 1.00 0.41 H new ATOM 0 HB THR A 135 -6.200 14.494 3.311 1.00 0.42 H new ATOM 0 HG1 THR A 135 -5.952 15.965 5.127 1.00 0.89 H new ATOM 0 HG21 THR A 135 -6.786 13.777 5.611 1.00 0.88 H new ATOM 0 HG22 THR A 135 -6.101 12.435 4.664 1.00 0.88 H new ATOM 0 HG23 THR A 135 -5.103 13.268 5.879 1.00 0.88 H new ATOM 2062 N ILE A 136 -4.533 11.684 2.406 1.00 0.35 N ATOM 2063 CA ILE A 136 -4.449 10.196 2.419 1.00 0.36 C ATOM 2064 C ILE A 136 -2.983 9.793 2.344 1.00 0.35 C ATOM 2065 O ILE A 136 -2.401 9.327 3.303 1.00 0.51 O ATOM 2066 CB ILE A 136 -5.187 9.623 1.201 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -6.660 10.074 1.247 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -5.083 8.077 1.192 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -7.385 9.411 2.430 1.00 0.64 C ATOM 0 H ILE A 136 -4.983 12.090 1.586 1.00 0.35 H new ATOM 0 HA ILE A 136 -4.905 9.810 3.331 1.00 0.36 H new ATOM 0 HB ILE A 136 -4.730 9.995 0.284 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -6.712 11.159 1.341 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -7.157 9.811 0.313 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -5.610 7.682 0.324 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -4.034 7.783 1.145 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -5.531 7.677 2.101 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -8.424 9.739 2.450 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -7.348 8.327 2.318 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -6.897 9.696 3.362 1.00 0.64 H new ATOM 2081 N MET A 137 -2.394 9.955 1.195 1.00 0.35 N ATOM 2082 CA MET A 137 -0.970 9.577 1.008 1.00 0.33 C ATOM 2083 C MET A 137 -0.122 10.025 2.201 1.00 0.31 C ATOM 2084 O MET A 137 0.913 9.468 2.499 1.00 0.34 O ATOM 2085 CB MET A 137 -0.458 10.228 -0.278 1.00 0.36 C ATOM 2086 CG MET A 137 -1.180 9.600 -1.486 1.00 0.67 C ATOM 2087 SD MET A 137 -1.315 10.814 -2.823 1.00 1.13 S ATOM 2088 CE MET A 137 0.441 10.925 -3.252 1.00 0.67 C ATOM 0 H MET A 137 -2.847 10.339 0.366 1.00 0.35 H new ATOM 0 HA MET A 137 -0.892 8.492 0.936 1.00 0.33 H new ATOM 0 HB2 MET A 137 -0.636 11.303 -0.251 1.00 0.36 H new ATOM 0 HB3 MET A 137 0.619 10.085 -0.368 1.00 0.36 H new ATOM 0 HG2 MET A 137 -0.632 8.724 -1.833 1.00 0.67 H new ATOM 0 HG3 MET A 137 -2.172 9.259 -1.191 1.00 0.67 H new ATOM 0 HE1 MET A 137 0.555 11.491 -4.176 1.00 0.67 H new ATOM 0 HE2 MET A 137 0.981 11.428 -2.449 1.00 0.67 H new ATOM 0 HE3 MET A 137 0.846 9.922 -3.389 1.00 0.67 H new ATOM 2098 N GLY A 138 -0.578 11.041 2.893 1.00 0.31 N ATOM 2099 CA GLY A 138 0.165 11.552 4.081 1.00 0.33 C ATOM 2100 C GLY A 138 0.269 10.440 5.126 1.00 0.33 C ATOM 2101 O GLY A 138 1.346 10.057 5.536 1.00 0.34 O ATOM 0 H GLY A 138 -1.442 11.541 2.681 1.00 0.31 H new ATOM 0 HA2 GLY A 138 1.160 11.885 3.787 1.00 0.33 H new ATOM 0 HA3 GLY A 138 -0.349 12.416 4.502 1.00 0.33 H new ATOM 2105 N TRP A 139 -0.848 9.908 5.542 1.00 0.34 N ATOM 2106 CA TRP A 139 -0.815 8.805 6.542 1.00 0.37 C ATOM 2107 C TRP A 139 -0.090 7.598 5.942 1.00 0.35 C ATOM 2108 O TRP A 139 0.371 6.725 6.647 1.00 0.39 O ATOM 2109 CB TRP A 139 -2.232 8.406 6.954 1.00 0.43 C ATOM 2110 CG TRP A 139 -3.013 9.615 7.370 1.00 0.46 C ATOM 2111 CD1 TRP A 139 -2.499 10.726 7.954 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -4.445 9.844 7.250 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -3.527 11.619 8.194 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -4.745 11.121 7.778 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -5.503 9.073 6.737 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -6.049 11.616 7.796 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -6.817 9.567 6.753 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -7.089 10.837 7.282 1.00 0.78 C ATOM 0 H TRP A 139 -1.779 10.189 5.233 1.00 0.34 H new ATOM 0 HA TRP A 139 -0.284 9.150 7.429 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -2.733 7.909 6.123 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -2.191 7.691 7.775 1.00 0.43 H new ATOM 0 HD1 TRP A 139 -1.458 10.887 8.192 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -3.401 12.534 8.626 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -5.303 8.094 6.328 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -6.253 12.595 8.204 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -7.622 8.966 6.356 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -8.102 11.213 7.292 1.00 0.78 H new ATOM 2129 N THR A 140 0.017 7.543 4.640 1.00 0.34 N ATOM 2130 CA THR A 140 0.719 6.394 3.999 1.00 0.36 C ATOM 2131 C THR A 140 2.231 6.590 4.142 1.00 0.34 C ATOM 2132 O THR A 140 2.912 5.807 4.775 1.00 0.39 O ATOM 2133 CB THR A 140 0.345 6.329 2.515 1.00 0.38 C ATOM 2134 OG1 THR A 140 -1.060 6.487 2.376 1.00 1.20 O ATOM 2135 CG2 THR A 140 0.767 4.977 1.937 1.00 1.17 C ATOM 0 H THR A 140 -0.351 8.243 3.995 1.00 0.34 H new ATOM 0 HA THR A 140 0.423 5.464 4.483 1.00 0.36 H new ATOM 0 HB THR A 140 0.857 7.126 1.976 1.00 0.38 H new ATOM 0 HG1 THR A 140 -1.322 6.290 1.452 1.00 1.20 H new ATOM 0 HG21 THR A 140 0.500 4.933 0.881 1.00 1.17 H new ATOM 0 HG22 THR A 140 1.845 4.856 2.044 1.00 1.17 H new ATOM 0 HG23 THR A 140 0.257 4.177 2.474 1.00 1.17 H new ATOM 2143 N LEU A 141 2.758 7.638 3.567 1.00 0.33 N ATOM 2144 CA LEU A 141 4.222 7.896 3.678 1.00 0.34 C ATOM 2145 C LEU A 141 4.599 8.081 5.148 1.00 0.33 C ATOM 2146 O LEU A 141 5.683 7.730 5.568 1.00 0.33 O ATOM 2147 CB LEU A 141 4.596 9.150 2.882 1.00 0.35 C ATOM 2148 CG LEU A 141 4.228 8.962 1.402 1.00 0.41 C ATOM 2149 CD1 LEU A 141 4.204 10.325 0.704 1.00 0.99 C ATOM 2150 CD2 LEU A 141 5.263 8.068 0.710 1.00 0.80 C ATOM 0 H LEU A 141 2.237 8.327 3.025 1.00 0.33 H new ATOM 0 HA LEU A 141 4.767 7.045 3.270 1.00 0.34 H new ATOM 0 HB2 LEU A 141 4.075 10.017 3.288 1.00 0.35 H new ATOM 0 HB3 LEU A 141 5.664 9.346 2.978 1.00 0.35 H new ATOM 0 HG LEU A 141 3.246 8.493 1.341 1.00 0.41 H new ATOM 0 HD11 LEU A 141 3.943 10.192 -0.346 1.00 0.99 H new ATOM 0 HD12 LEU A 141 3.464 10.966 1.183 1.00 0.99 H new ATOM 0 HD13 LEU A 141 5.188 10.789 0.777 1.00 0.99 H new ATOM 0 HD21 LEU A 141 4.992 7.942 -0.338 1.00 0.80 H new ATOM 0 HD22 LEU A 141 6.247 8.532 0.777 1.00 0.80 H new ATOM 0 HD23 LEU A 141 5.287 7.094 1.198 1.00 0.80 H new ATOM 2162 N ASP A 142 3.716 8.623 5.938 1.00 0.36 N ATOM 2163 CA ASP A 142 4.036 8.815 7.379 1.00 0.37 C ATOM 2164 C ASP A 142 4.167 7.444 8.044 1.00 0.37 C ATOM 2165 O ASP A 142 5.044 7.213 8.853 1.00 0.42 O ATOM 2166 CB ASP A 142 2.912 9.602 8.052 1.00 0.37 C ATOM 2167 CG ASP A 142 3.291 9.891 9.505 1.00 0.78 C ATOM 2168 OD1 ASP A 142 3.975 10.875 9.733 1.00 1.32 O ATOM 2169 OD2 ASP A 142 2.893 9.123 10.364 1.00 1.59 O ATOM 0 H ASP A 142 2.790 8.940 5.650 1.00 0.36 H new ATOM 0 HA ASP A 142 4.971 9.367 7.479 1.00 0.37 H new ATOM 0 HB2 ASP A 142 2.737 10.536 7.518 1.00 0.37 H new ATOM 0 HB3 ASP A 142 1.982 9.034 8.014 1.00 0.37 H new ATOM 2174 N PHE A 143 3.301 6.532 7.701 1.00 0.41 N ATOM 2175 CA PHE A 143 3.365 5.168 8.297 1.00 0.43 C ATOM 2176 C PHE A 143 4.453 4.354 7.595 1.00 0.43 C ATOM 2177 O PHE A 143 5.132 3.559 8.214 1.00 0.45 O ATOM 2178 CB PHE A 143 2.011 4.473 8.124 1.00 0.44 C ATOM 2179 CG PHE A 143 1.990 3.194 8.929 1.00 0.47 C ATOM 2180 CD1 PHE A 143 2.472 2.005 8.366 1.00 1.29 C ATOM 2181 CD2 PHE A 143 1.488 3.195 10.236 1.00 1.16 C ATOM 2182 CE1 PHE A 143 2.451 0.819 9.110 1.00 1.35 C ATOM 2183 CE2 PHE A 143 1.467 2.009 10.980 1.00 1.22 C ATOM 2184 CZ PHE A 143 1.949 0.821 10.416 1.00 0.72 C ATOM 0 H PHE A 143 2.547 6.674 7.029 1.00 0.41 H new ATOM 0 HA PHE A 143 3.600 5.245 9.358 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.208 5.133 8.451 1.00 0.44 H new ATOM 0 HB3 PHE A 143 1.835 4.254 7.071 1.00 0.44 H new ATOM 0 HD1 PHE A 143 2.860 2.003 7.358 1.00 1.29 H new ATOM 0 HD2 PHE A 143 1.117 4.111 10.671 1.00 1.16 H new ATOM 0 HE1 PHE A 143 2.822 -0.097 8.676 1.00 1.35 H new ATOM 0 HE2 PHE A 143 1.079 2.010 11.988 1.00 1.22 H new ATOM 0 HZ PHE A 143 1.933 -0.094 10.990 1.00 0.72 H new ATOM 2194 N LEU A 144 4.630 4.531 6.313 1.00 0.45 N ATOM 2195 CA LEU A 144 5.683 3.745 5.603 1.00 0.47 C ATOM 2196 C LEU A 144 7.055 4.232 6.091 1.00 0.47 C ATOM 2197 O LEU A 144 7.898 3.446 6.479 1.00 0.49 O ATOM 2198 CB LEU A 144 5.512 3.931 4.084 1.00 0.49 C ATOM 2199 CG LEU A 144 6.480 3.042 3.284 1.00 0.64 C ATOM 2200 CD1 LEU A 144 6.032 3.002 1.820 1.00 1.31 C ATOM 2201 CD2 LEU A 144 7.932 3.570 3.383 1.00 1.01 C ATOM 0 H LEU A 144 4.098 5.178 5.731 1.00 0.45 H new ATOM 0 HA LEU A 144 5.597 2.680 5.817 1.00 0.47 H new ATOM 0 HB2 LEU A 144 4.486 3.695 3.803 1.00 0.49 H new ATOM 0 HB3 LEU A 144 5.681 4.976 3.825 1.00 0.49 H new ATOM 0 HG LEU A 144 6.462 2.036 3.703 1.00 0.64 H new ATOM 0 HD11 LEU A 144 6.714 2.373 1.248 1.00 1.31 H new ATOM 0 HD12 LEU A 144 5.024 2.592 1.759 1.00 1.31 H new ATOM 0 HD13 LEU A 144 6.039 4.012 1.410 1.00 1.31 H new ATOM 0 HD21 LEU A 144 8.595 2.923 2.808 1.00 1.01 H new ATOM 0 HD22 LEU A 144 7.979 4.583 2.984 1.00 1.01 H new ATOM 0 HD23 LEU A 144 8.246 3.576 4.427 1.00 1.01 H new ATOM 2213 N ARG A 145 7.277 5.509 6.095 1.00 0.47 N ATOM 2214 CA ARG A 145 8.581 6.048 6.582 1.00 0.48 C ATOM 2215 C ARG A 145 8.775 5.726 8.073 1.00 0.49 C ATOM 2216 O ARG A 145 9.886 5.534 8.527 1.00 0.50 O ATOM 2217 CB ARG A 145 8.598 7.568 6.393 1.00 0.49 C ATOM 2218 CG ARG A 145 10.028 8.096 6.572 1.00 0.69 C ATOM 2219 CD ARG A 145 9.995 9.605 6.824 1.00 0.68 C ATOM 2220 NE ARG A 145 9.336 9.873 8.132 1.00 1.56 N ATOM 2221 CZ ARG A 145 9.456 11.043 8.698 1.00 2.10 C ATOM 2222 NH1 ARG A 145 10.159 11.979 8.121 1.00 2.12 N ATOM 2223 NH2 ARG A 145 8.874 11.276 9.842 1.00 3.16 N ATOM 0 H ARG A 145 6.610 6.214 5.781 1.00 0.47 H new ATOM 0 HA ARG A 145 9.387 5.586 6.012 1.00 0.48 H new ATOM 0 HB2 ARG A 145 8.227 7.825 5.401 1.00 0.49 H new ATOM 0 HB3 ARG A 145 7.932 8.041 7.115 1.00 0.49 H new ATOM 0 HG2 ARG A 145 10.511 7.589 7.407 1.00 0.69 H new ATOM 0 HG3 ARG A 145 10.620 7.879 5.683 1.00 0.69 H new ATOM 0 HD2 ARG A 145 11.008 10.007 6.826 1.00 0.68 H new ATOM 0 HD3 ARG A 145 9.454 10.107 6.022 1.00 0.68 H new ATOM 0 HE ARG A 145 8.790 9.141 8.586 1.00 1.56 H new ATOM 0 HH11 ARG A 145 10.615 11.796 7.227 1.00 2.12 H new ATOM 0 HH12 ARG A 145 10.252 12.893 8.564 1.00 2.12 H new ATOM 0 HH21 ARG A 145 8.326 10.544 10.294 1.00 3.16 H new ATOM 0 HH22 ARG A 145 8.967 12.190 10.285 1.00 3.16 H new ATOM 2237 N GLU A 146 7.728 5.726 8.854 1.00 0.49 N ATOM 2238 CA GLU A 146 7.899 5.480 10.323 1.00 0.51 C ATOM 2239 C GLU A 146 7.890 3.983 10.671 1.00 0.53 C ATOM 2240 O GLU A 146 8.594 3.580 11.579 1.00 0.55 O ATOM 2241 CB GLU A 146 6.778 6.183 11.088 1.00 0.52 C ATOM 2242 CG GLU A 146 6.952 7.698 10.972 1.00 0.96 C ATOM 2243 CD GLU A 146 5.740 8.399 11.587 1.00 1.48 C ATOM 2244 OE1 GLU A 146 4.717 7.750 11.735 1.00 2.03 O ATOM 2245 OE2 GLU A 146 5.855 9.572 11.901 1.00 2.22 O ATOM 0 H GLU A 146 6.768 5.884 8.546 1.00 0.49 H new ATOM 0 HA GLU A 146 8.872 5.879 10.611 1.00 0.51 H new ATOM 0 HB2 GLU A 146 5.809 5.886 10.688 1.00 0.52 H new ATOM 0 HB3 GLU A 146 6.795 5.884 12.136 1.00 0.52 H new ATOM 0 HG2 GLU A 146 7.863 8.010 11.482 1.00 0.96 H new ATOM 0 HG3 GLU A 146 7.058 7.984 9.925 1.00 0.96 H new ATOM 2252 N ARG A 147 7.084 3.159 10.034 1.00 0.59 N ATOM 2253 CA ARG A 147 7.041 1.704 10.443 1.00 0.62 C ATOM 2254 C ARG A 147 7.649 0.779 9.383 1.00 0.58 C ATOM 2255 O ARG A 147 8.416 -0.113 9.684 1.00 0.62 O ATOM 2256 CB ARG A 147 5.580 1.312 10.667 1.00 0.63 C ATOM 2257 CG ARG A 147 5.032 2.067 11.891 1.00 0.73 C ATOM 2258 CD ARG A 147 5.736 1.597 13.184 1.00 1.11 C ATOM 2259 NE ARG A 147 4.745 1.528 14.302 1.00 1.75 N ATOM 2260 CZ ARG A 147 3.920 2.514 14.537 1.00 2.40 C ATOM 2261 NH1 ARG A 147 4.027 3.637 13.883 1.00 2.71 N ATOM 2262 NH2 ARG A 147 3.012 2.390 15.465 1.00 3.30 N ATOM 0 H ARG A 147 6.466 3.418 9.265 1.00 0.59 H new ATOM 0 HA ARG A 147 7.632 1.590 11.352 1.00 0.62 H new ATOM 0 HB2 ARG A 147 4.988 1.551 9.783 1.00 0.63 H new ATOM 0 HB3 ARG A 147 5.500 0.236 10.823 1.00 0.63 H new ATOM 0 HG2 ARG A 147 5.180 3.139 11.760 1.00 0.73 H new ATOM 0 HG3 ARG A 147 3.958 1.902 11.975 1.00 0.73 H new ATOM 0 HD2 ARG A 147 6.190 0.619 13.027 1.00 1.11 H new ATOM 0 HD3 ARG A 147 6.542 2.285 13.441 1.00 1.11 H new ATOM 0 HE ARG A 147 4.712 0.696 14.892 1.00 1.75 H new ATOM 0 HH11 ARG A 147 4.759 3.751 13.182 1.00 2.71 H new ATOM 0 HH12 ARG A 147 3.379 4.401 14.073 1.00 2.71 H new ATOM 0 HH21 ARG A 147 2.948 1.526 16.004 1.00 3.30 H new ATOM 0 HH22 ARG A 147 2.366 3.157 15.652 1.00 3.30 H new ATOM 2276 N LEU A 148 7.270 0.958 8.151 1.00 0.53 N ATOM 2277 CA LEU A 148 7.768 0.073 7.056 1.00 0.57 C ATOM 2278 C LEU A 148 9.076 0.598 6.461 1.00 0.67 C ATOM 2279 O LEU A 148 9.342 0.396 5.295 1.00 1.61 O ATOM 2280 CB LEU A 148 6.719 0.034 5.943 1.00 0.59 C ATOM 2281 CG LEU A 148 5.313 -0.114 6.537 1.00 0.70 C ATOM 2282 CD1 LEU A 148 4.281 -0.136 5.406 1.00 1.29 C ATOM 2283 CD2 LEU A 148 5.228 -1.423 7.329 1.00 1.34 C ATOM 0 H LEU A 148 6.627 1.690 7.849 1.00 0.53 H new ATOM 0 HA LEU A 148 7.947 -0.918 7.473 1.00 0.57 H new ATOM 0 HB2 LEU A 148 6.776 0.946 5.349 1.00 0.59 H new ATOM 0 HB3 LEU A 148 6.925 -0.798 5.269 1.00 0.59 H new ATOM 0 HG LEU A 148 5.109 0.727 7.200 1.00 0.70 H new ATOM 0 HD11 LEU A 148 3.281 -0.241 5.828 1.00 1.29 H new ATOM 0 HD12 LEU A 148 4.340 0.794 4.841 1.00 1.29 H new ATOM 0 HD13 LEU A 148 4.486 -0.977 4.743 1.00 1.29 H new ATOM 0 HD21 LEU A 148 4.229 -1.528 7.751 1.00 1.34 H new ATOM 0 HD22 LEU A 148 5.432 -2.263 6.666 1.00 1.34 H new ATOM 0 HD23 LEU A 148 5.963 -1.409 8.134 1.00 1.34 H new ATOM 2295 N LEU A 149 9.901 1.256 7.231 1.00 0.67 N ATOM 2296 CA LEU A 149 11.198 1.761 6.674 1.00 0.57 C ATOM 2297 C LEU A 149 12.308 0.819 7.135 1.00 0.56 C ATOM 2298 O LEU A 149 13.083 0.330 6.338 1.00 0.58 O ATOM 2299 CB LEU A 149 11.461 3.193 7.152 1.00 0.54 C ATOM 2300 CG LEU A 149 12.594 3.827 6.329 1.00 0.59 C ATOM 2301 CD1 LEU A 149 12.150 4.062 4.868 1.00 0.83 C ATOM 2302 CD2 LEU A 149 12.984 5.162 6.975 1.00 1.21 C ATOM 0 H LEU A 149 9.738 1.467 8.216 1.00 0.67 H new ATOM 0 HA LEU A 149 11.161 1.782 5.585 1.00 0.57 H new ATOM 0 HB2 LEU A 149 10.554 3.789 7.055 1.00 0.54 H new ATOM 0 HB3 LEU A 149 11.728 3.188 8.209 1.00 0.54 H new ATOM 0 HG LEU A 149 13.448 3.150 6.317 1.00 0.59 H new ATOM 0 HD11 LEU A 149 12.969 4.511 4.307 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.878 3.110 4.413 1.00 0.83 H new ATOM 0 HD13 LEU A 149 11.290 4.731 4.852 1.00 0.83 H new ATOM 0 HD21 LEU A 149 13.788 5.623 6.401 1.00 1.21 H new ATOM 0 HD22 LEU A 149 12.120 5.826 6.988 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.322 4.987 7.996 1.00 1.21 H new ATOM 2314 N GLY A 150 12.403 0.555 8.406 1.00 0.56 N ATOM 2315 CA GLY A 150 13.473 -0.362 8.892 1.00 0.58 C ATOM 2316 C GLY A 150 13.214 -1.787 8.382 1.00 0.62 C ATOM 2317 O GLY A 150 14.130 -2.565 8.190 1.00 0.70 O ATOM 0 H GLY A 150 11.790 0.932 9.129 1.00 0.56 H new ATOM 0 HA2 GLY A 150 14.446 -0.014 8.546 1.00 0.58 H new ATOM 0 HA3 GLY A 150 13.501 -0.356 9.982 1.00 0.58 H new ATOM 2321 N TRP A 151 11.973 -2.143 8.178 1.00 0.63 N ATOM 2322 CA TRP A 151 11.653 -3.525 7.707 1.00 0.69 C ATOM 2323 C TRP A 151 11.897 -3.660 6.198 1.00 0.70 C ATOM 2324 O TRP A 151 12.361 -4.681 5.732 1.00 0.72 O ATOM 2325 CB TRP A 151 10.174 -3.832 8.014 1.00 0.73 C ATOM 2326 CG TRP A 151 10.031 -4.313 9.424 1.00 1.25 C ATOM 2327 CD1 TRP A 151 9.785 -5.594 9.783 1.00 2.17 C ATOM 2328 CD2 TRP A 151 10.122 -3.551 10.661 1.00 1.86 C ATOM 2329 NE1 TRP A 151 9.720 -5.667 11.162 1.00 2.65 N ATOM 2330 CE2 TRP A 151 9.921 -4.434 11.749 1.00 2.43 C ATOM 2331 CE3 TRP A 151 10.358 -2.194 10.943 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 9.952 -3.985 13.070 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 10.390 -1.739 12.272 1.00 3.62 C ATOM 2334 CH2 TRP A 151 10.187 -2.633 13.332 1.00 3.67 C ATOM 0 H TRP A 151 11.165 -1.536 8.317 1.00 0.63 H new ATOM 0 HA TRP A 151 12.302 -4.230 8.226 1.00 0.69 H new ATOM 0 HB2 TRP A 151 9.570 -2.937 7.864 1.00 0.73 H new ATOM 0 HB3 TRP A 151 9.801 -4.588 7.324 1.00 0.73 H new ATOM 0 HD1 TRP A 151 9.660 -6.424 9.103 1.00 2.17 H new ATOM 0 HE1 TRP A 151 9.545 -6.527 11.682 1.00 2.65 H new ATOM 0 HE3 TRP A 151 10.516 -1.497 10.133 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 9.795 -4.678 13.884 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 10.572 -0.695 12.478 1.00 3.62 H new ATOM 0 HH2 TRP A 151 10.212 -2.277 14.351 1.00 3.67 H new ATOM 2345 N ILE A 152 11.580 -2.657 5.426 1.00 0.73 N ATOM 2346 CA ILE A 152 11.794 -2.781 3.956 1.00 0.76 C ATOM 2347 C ILE A 152 13.294 -2.778 3.656 1.00 0.79 C ATOM 2348 O ILE A 152 13.788 -3.611 2.923 1.00 0.89 O ATOM 2349 CB ILE A 152 11.102 -1.625 3.218 1.00 0.78 C ATOM 2350 CG1 ILE A 152 9.586 -1.747 3.415 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.424 -1.698 1.717 1.00 0.92 C ATOM 2352 CD1 ILE A 152 8.874 -0.561 2.752 1.00 0.94 C ATOM 0 H ILE A 152 11.188 -1.770 5.742 1.00 0.73 H new ATOM 0 HA ILE A 152 11.361 -3.719 3.609 1.00 0.76 H new ATOM 0 HB ILE A 152 11.457 -0.674 3.616 1.00 0.78 H new ATOM 0 HG12 ILE A 152 9.229 -2.683 2.985 1.00 0.83 H new ATOM 0 HG13 ILE A 152 9.350 -1.775 4.479 1.00 0.83 H new ATOM 0 HG21 ILE A 152 10.931 -0.876 1.199 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.502 -1.624 1.572 1.00 0.92 H new ATOM 0 HG23 ILE A 152 11.068 -2.646 1.314 1.00 0.92 H new ATOM 0 HD11 ILE A 152 7.798 -0.656 2.897 1.00 0.94 H new ATOM 0 HD12 ILE A 152 9.220 0.369 3.202 1.00 0.94 H new ATOM 0 HD13 ILE A 152 9.097 -0.553 1.685 1.00 0.94 H new ATOM 2364 N GLN A 153 14.023 -1.841 4.202 1.00 0.77 N ATOM 2365 CA GLN A 153 15.484 -1.796 3.922 1.00 0.80 C ATOM 2366 C GLN A 153 16.107 -3.157 4.243 1.00 0.81 C ATOM 2367 O GLN A 153 16.953 -3.647 3.522 1.00 0.82 O ATOM 2368 CB GLN A 153 16.154 -0.693 4.749 1.00 0.82 C ATOM 2369 CG GLN A 153 16.000 -0.976 6.243 1.00 1.09 C ATOM 2370 CD GLN A 153 16.556 0.207 7.041 1.00 1.98 C ATOM 2371 OE1 GLN A 153 17.124 0.026 8.099 1.00 2.66 O ATOM 2372 NE2 GLN A 153 16.415 1.419 6.576 1.00 2.77 N ATOM 0 H GLN A 153 13.673 -1.112 4.824 1.00 0.77 H new ATOM 0 HA GLN A 153 15.639 -1.571 2.867 1.00 0.80 H new ATOM 0 HB2 GLN A 153 17.211 -0.629 4.492 1.00 0.82 H new ATOM 0 HB3 GLN A 153 15.708 0.272 4.508 1.00 0.82 H new ATOM 0 HG2 GLN A 153 14.950 -1.134 6.489 1.00 1.09 H new ATOM 0 HG3 GLN A 153 16.531 -1.890 6.508 1.00 1.09 H new ATOM 0 HE21 GLN A 153 15.938 1.572 5.687 1.00 2.77 H new ATOM 0 HE22 GLN A 153 16.782 2.213 7.101 1.00 2.77 H new ATOM 2381 N ASP A 154 15.707 -3.770 5.329 1.00 0.83 N ATOM 2382 CA ASP A 154 16.297 -5.092 5.688 1.00 0.86 C ATOM 2383 C ASP A 154 16.118 -6.048 4.506 1.00 0.85 C ATOM 2384 O ASP A 154 16.961 -6.876 4.225 1.00 0.94 O ATOM 2385 CB ASP A 154 15.587 -5.647 6.926 1.00 0.90 C ATOM 2386 CG ASP A 154 16.233 -6.969 7.343 1.00 1.28 C ATOM 2387 OD1 ASP A 154 17.443 -6.991 7.500 1.00 1.84 O ATOM 2388 OD2 ASP A 154 15.507 -7.937 7.499 1.00 1.99 O ATOM 0 H ASP A 154 15.003 -3.415 5.976 1.00 0.83 H new ATOM 0 HA ASP A 154 17.358 -4.983 5.910 1.00 0.86 H new ATOM 0 HB2 ASP A 154 15.646 -4.929 7.744 1.00 0.90 H new ATOM 0 HB3 ASP A 154 14.529 -5.800 6.712 1.00 0.90 H new ATOM 2393 N GLN A 155 15.019 -5.925 3.814 1.00 0.79 N ATOM 2394 CA GLN A 155 14.762 -6.806 2.640 1.00 0.79 C ATOM 2395 C GLN A 155 15.902 -6.651 1.629 1.00 0.72 C ATOM 2396 O GLN A 155 16.402 -7.618 1.089 1.00 1.03 O ATOM 2397 CB GLN A 155 13.431 -6.406 1.987 1.00 0.90 C ATOM 2398 CG GLN A 155 12.916 -7.555 1.112 1.00 1.37 C ATOM 2399 CD GLN A 155 12.372 -8.678 2.000 1.00 2.01 C ATOM 2400 OE1 GLN A 155 11.893 -9.680 1.507 1.00 2.72 O ATOM 2401 NE2 GLN A 155 12.424 -8.553 3.298 1.00 2.54 N ATOM 0 H GLN A 155 14.283 -5.247 4.013 1.00 0.79 H new ATOM 0 HA GLN A 155 14.707 -7.845 2.964 1.00 0.79 H new ATOM 0 HB2 GLN A 155 12.697 -6.164 2.755 1.00 0.90 H new ATOM 0 HB3 GLN A 155 13.567 -5.509 1.383 1.00 0.90 H new ATOM 0 HG2 GLN A 155 12.133 -7.194 0.445 1.00 1.37 H new ATOM 0 HG3 GLN A 155 13.721 -7.934 0.482 1.00 1.37 H new ATOM 0 HE21 GLN A 155 12.826 -7.713 3.714 1.00 2.54 H new ATOM 0 HE22 GLN A 155 12.063 -9.296 3.897 1.00 2.54 H new ATOM 2410 N GLY A 156 16.321 -5.433 1.383 1.00 0.63 N ATOM 2411 CA GLY A 156 17.439 -5.178 0.420 1.00 0.72 C ATOM 2412 C GLY A 156 16.939 -4.312 -0.739 1.00 0.87 C ATOM 2413 O GLY A 156 17.663 -4.048 -1.678 1.00 1.38 O ATOM 0 H GLY A 156 15.931 -4.595 1.814 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.263 -4.679 0.930 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.826 -6.123 0.039 1.00 0.72 H new ATOM 2417 N GLY A 157 15.710 -3.854 -0.675 1.00 0.81 N ATOM 2418 CA GLY A 157 15.157 -2.989 -1.769 1.00 1.10 C ATOM 2419 C GLY A 157 13.838 -3.575 -2.274 1.00 0.84 C ATOM 2420 O GLY A 157 13.516 -4.721 -2.032 1.00 0.88 O ATOM 0 H GLY A 157 15.063 -4.043 0.091 1.00 0.81 H new ATOM 0 HA2 GLY A 157 14.998 -1.976 -1.399 1.00 1.10 H new ATOM 0 HA3 GLY A 157 15.873 -2.921 -2.588 1.00 1.10 H new ATOM 2424 N TRP A 158 13.066 -2.781 -2.966 1.00 0.67 N ATOM 2425 CA TRP A 158 11.758 -3.267 -3.487 1.00 0.50 C ATOM 2426 C TRP A 158 11.971 -4.505 -4.360 1.00 0.51 C ATOM 2427 O TRP A 158 11.022 -5.181 -4.731 1.00 0.53 O ATOM 2428 CB TRP A 158 11.097 -2.167 -4.321 1.00 0.51 C ATOM 2429 CG TRP A 158 10.678 -1.039 -3.433 1.00 0.46 C ATOM 2430 CD1 TRP A 158 11.334 0.138 -3.312 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.524 -0.958 -2.549 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.656 0.937 -2.408 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.533 0.305 -1.910 1.00 0.47 C ATOM 2434 CE3 TRP A 158 8.480 -1.848 -2.241 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.542 0.672 -0.999 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 7.480 -1.483 -1.324 1.00 0.84 C ATOM 2437 CH2 TRP A 158 7.512 -0.225 -0.705 1.00 0.78 C ATOM 0 H TRP A 158 13.287 -1.812 -3.193 1.00 0.67 H new ATOM 0 HA TRP A 158 11.115 -3.526 -2.646 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.792 -1.806 -5.079 1.00 0.51 H new ATOM 0 HB3 TRP A 158 10.231 -2.568 -4.847 1.00 0.51 H new ATOM 0 HD1 TRP A 158 12.239 0.410 -3.835 1.00 0.59 H new ATOM 0 HE1 TRP A 158 10.949 1.877 -2.142 1.00 0.55 H new ATOM 0 HE3 TRP A 158 8.447 -2.819 -2.713 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 8.571 1.642 -0.525 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.683 -2.175 -1.095 1.00 0.84 H new ATOM 0 HH2 TRP A 158 6.741 0.050 -0.001 1.00 0.78 H new ATOM 2448 N ASP A 159 13.185 -4.825 -4.712 1.00 0.50 N ATOM 2449 CA ASP A 159 13.389 -6.020 -5.572 1.00 0.51 C ATOM 2450 C ASP A 159 12.861 -7.249 -4.835 1.00 0.51 C ATOM 2451 O ASP A 159 12.336 -8.169 -5.431 1.00 0.51 O ATOM 2452 CB ASP A 159 14.880 -6.188 -5.879 1.00 0.54 C ATOM 2453 CG ASP A 159 15.389 -4.957 -6.634 1.00 1.66 C ATOM 2454 OD1 ASP A 159 15.036 -3.857 -6.242 1.00 2.46 O ATOM 2455 OD2 ASP A 159 16.125 -5.136 -7.590 1.00 2.37 O ATOM 0 H ASP A 159 14.030 -4.320 -4.446 1.00 0.50 H new ATOM 0 HA ASP A 159 12.853 -5.899 -6.513 1.00 0.51 H new ATOM 0 HB2 ASP A 159 15.440 -6.317 -4.953 1.00 0.54 H new ATOM 0 HB3 ASP A 159 15.040 -7.086 -6.476 1.00 0.54 H new ATOM 2460 N GLY A 160 12.983 -7.262 -3.533 1.00 0.52 N ATOM 2461 CA GLY A 160 12.472 -8.420 -2.748 1.00 0.54 C ATOM 2462 C GLY A 160 10.967 -8.534 -2.981 1.00 0.53 C ATOM 2463 O GLY A 160 10.410 -9.614 -2.993 1.00 0.54 O ATOM 0 H GLY A 160 13.414 -6.520 -2.982 1.00 0.52 H new ATOM 0 HA2 GLY A 160 12.974 -9.337 -3.055 1.00 0.54 H new ATOM 0 HA3 GLY A 160 12.682 -8.282 -1.687 1.00 0.54 H new ATOM 2467 N LEU A 161 10.308 -7.428 -3.186 1.00 0.54 N ATOM 2468 CA LEU A 161 8.845 -7.474 -3.443 1.00 0.56 C ATOM 2469 C LEU A 161 8.597 -8.383 -4.645 1.00 0.56 C ATOM 2470 O LEU A 161 7.751 -9.255 -4.624 1.00 0.62 O ATOM 2471 CB LEU A 161 8.342 -6.047 -3.750 1.00 0.58 C ATOM 2472 CG LEU A 161 6.836 -5.930 -3.406 1.00 0.74 C ATOM 2473 CD1 LEU A 161 6.651 -5.615 -1.914 1.00 1.63 C ATOM 2474 CD2 LEU A 161 6.202 -4.806 -4.229 1.00 1.56 C ATOM 0 H LEU A 161 10.721 -6.495 -3.186 1.00 0.54 H new ATOM 0 HA LEU A 161 8.314 -7.859 -2.573 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.913 -5.319 -3.173 1.00 0.58 H new ATOM 0 HB3 LEU A 161 8.502 -5.815 -4.803 1.00 0.58 H new ATOM 0 HG LEU A 161 6.355 -6.880 -3.639 1.00 0.74 H new ATOM 0 HD11 LEU A 161 5.588 -5.536 -1.688 1.00 1.63 H new ATOM 0 HD12 LEU A 161 7.091 -6.414 -1.316 1.00 1.63 H new ATOM 0 HD13 LEU A 161 7.143 -4.672 -1.678 1.00 1.63 H new ATOM 0 HD21 LEU A 161 5.143 -4.728 -3.983 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.698 -3.863 -4.000 1.00 1.56 H new ATOM 0 HD23 LEU A 161 6.313 -5.026 -5.291 1.00 1.56 H new ATOM 2486 N LEU A 162 9.349 -8.177 -5.696 1.00 0.53 N ATOM 2487 CA LEU A 162 9.190 -9.023 -6.915 1.00 0.56 C ATOM 2488 C LEU A 162 9.683 -10.442 -6.604 1.00 0.55 C ATOM 2489 O LEU A 162 9.199 -11.404 -7.168 1.00 0.57 O ATOM 2490 CB LEU A 162 10.005 -8.429 -8.086 1.00 0.61 C ATOM 2491 CG LEU A 162 9.136 -7.512 -8.961 1.00 0.80 C ATOM 2492 CD1 LEU A 162 10.047 -6.633 -9.826 1.00 1.56 C ATOM 2493 CD2 LEU A 162 8.242 -8.349 -9.888 1.00 1.33 C ATOM 0 H LEU A 162 10.068 -7.457 -5.762 1.00 0.53 H new ATOM 0 HA LEU A 162 8.139 -9.052 -7.203 1.00 0.56 H new ATOM 0 HB2 LEU A 162 10.852 -7.866 -7.694 1.00 0.61 H new ATOM 0 HB3 LEU A 162 10.413 -9.236 -8.694 1.00 0.61 H new ATOM 0 HG LEU A 162 8.511 -6.897 -8.314 1.00 0.80 H new ATOM 0 HD11 LEU A 162 9.437 -5.980 -10.450 1.00 1.56 H new ATOM 0 HD12 LEU A 162 10.686 -6.028 -9.183 1.00 1.56 H new ATOM 0 HD13 LEU A 162 10.667 -7.266 -10.461 1.00 1.56 H new ATOM 0 HD21 LEU A 162 7.632 -7.686 -10.502 1.00 1.33 H new ATOM 0 HD22 LEU A 162 8.865 -8.969 -10.533 1.00 1.33 H new ATOM 0 HD23 LEU A 162 7.593 -8.987 -9.289 1.00 1.33 H new ATOM 2505 N SER A 163 10.633 -10.595 -5.735 1.00 0.54 N ATOM 2506 CA SER A 163 11.123 -11.968 -5.434 1.00 0.56 C ATOM 2507 C SER A 163 9.954 -12.844 -4.974 1.00 0.53 C ATOM 2508 O SER A 163 9.943 -14.043 -5.165 1.00 0.60 O ATOM 2509 CB SER A 163 12.167 -11.894 -4.322 1.00 0.63 C ATOM 2510 OG SER A 163 12.748 -13.179 -4.143 1.00 1.32 O ATOM 0 H SER A 163 11.090 -9.841 -5.223 1.00 0.54 H new ATOM 0 HA SER A 163 11.567 -12.401 -6.331 1.00 0.56 H new ATOM 0 HB2 SER A 163 12.937 -11.166 -4.577 1.00 0.63 H new ATOM 0 HB3 SER A 163 11.705 -11.558 -3.394 1.00 0.63 H new ATOM 0 HG SER A 163 13.420 -13.138 -3.431 1.00 1.32 H new ATOM 2516 N TYR A 164 8.973 -12.239 -4.353 1.00 0.59 N ATOM 2517 CA TYR A 164 7.797 -13.011 -3.854 1.00 0.64 C ATOM 2518 C TYR A 164 6.807 -13.248 -4.996 1.00 0.63 C ATOM 2519 O TYR A 164 6.161 -14.275 -5.063 1.00 0.68 O ATOM 2520 CB TYR A 164 7.106 -12.207 -2.746 1.00 0.69 C ATOM 2521 CG TYR A 164 6.076 -13.070 -2.050 1.00 0.72 C ATOM 2522 CD1 TYR A 164 6.489 -14.096 -1.193 1.00 1.34 C ATOM 2523 CD2 TYR A 164 4.708 -12.842 -2.259 1.00 1.50 C ATOM 2524 CE1 TYR A 164 5.539 -14.894 -0.544 1.00 1.35 C ATOM 2525 CE2 TYR A 164 3.758 -13.640 -1.610 1.00 1.57 C ATOM 2526 CZ TYR A 164 4.173 -14.666 -0.753 1.00 0.87 C ATOM 2527 OH TYR A 164 3.237 -15.453 -0.113 1.00 0.97 O ATOM 0 H TYR A 164 8.937 -11.236 -4.170 1.00 0.59 H new ATOM 0 HA TYR A 164 8.133 -13.972 -3.466 1.00 0.64 H new ATOM 0 HB2 TYR A 164 7.844 -11.854 -2.026 1.00 0.69 H new ATOM 0 HB3 TYR A 164 6.627 -11.324 -3.170 1.00 0.69 H new ATOM 0 HD1 TYR A 164 7.542 -14.273 -1.032 1.00 1.34 H new ATOM 0 HD2 TYR A 164 4.387 -12.051 -2.921 1.00 1.50 H new ATOM 0 HE1 TYR A 164 5.860 -15.685 0.118 1.00 1.35 H new ATOM 0 HE2 TYR A 164 2.705 -13.464 -1.771 1.00 1.57 H new ATOM 0 HH TYR A 164 2.336 -15.162 -0.366 1.00 0.97 H new ATOM 2537 N PHE A 165 6.681 -12.310 -5.893 1.00 0.64 N ATOM 2538 CA PHE A 165 5.729 -12.491 -7.023 1.00 0.72 C ATOM 2539 C PHE A 165 6.315 -13.466 -8.049 1.00 0.82 C ATOM 2540 O PHE A 165 6.523 -13.125 -9.196 1.00 1.56 O ATOM 2541 CB PHE A 165 5.463 -11.139 -7.699 1.00 0.74 C ATOM 2542 CG PHE A 165 4.523 -10.314 -6.844 1.00 0.84 C ATOM 2543 CD1 PHE A 165 3.202 -10.739 -6.651 1.00 1.42 C ATOM 2544 CD2 PHE A 165 4.969 -9.127 -6.245 1.00 1.65 C ATOM 2545 CE1 PHE A 165 2.330 -9.981 -5.861 1.00 1.71 C ATOM 2546 CE2 PHE A 165 4.095 -8.370 -5.455 1.00 1.96 C ATOM 2547 CZ PHE A 165 2.776 -8.797 -5.263 1.00 1.66 C ATOM 0 H PHE A 165 7.195 -11.429 -5.892 1.00 0.64 H new ATOM 0 HA PHE A 165 4.793 -12.894 -6.636 1.00 0.72 H new ATOM 0 HB2 PHE A 165 6.401 -10.604 -7.844 1.00 0.74 H new ATOM 0 HB3 PHE A 165 5.029 -11.295 -8.687 1.00 0.74 H new ATOM 0 HD1 PHE A 165 2.856 -11.652 -7.112 1.00 1.42 H new ATOM 0 HD2 PHE A 165 5.987 -8.797 -6.393 1.00 1.65 H new ATOM 0 HE1 PHE A 165 1.312 -10.310 -5.713 1.00 1.71 H new ATOM 0 HE2 PHE A 165 4.439 -7.456 -4.994 1.00 1.96 H new ATOM 0 HZ PHE A 165 2.103 -8.213 -4.653 1.00 1.66 H new ATOM 2557 N GLY A 166 6.600 -14.675 -7.636 1.00 0.94 N ATOM 2558 CA GLY A 166 7.187 -15.680 -8.574 1.00 1.01 C ATOM 2559 C GLY A 166 6.592 -17.057 -8.283 1.00 1.23 C ATOM 2560 O GLY A 166 6.875 -18.022 -8.966 1.00 1.85 O ATOM 0 H GLY A 166 6.451 -15.011 -6.685 1.00 0.94 H new ATOM 0 HA2 GLY A 166 6.982 -15.394 -9.606 1.00 1.01 H new ATOM 0 HA3 GLY A 166 8.271 -15.709 -8.461 1.00 1.01 H new ATOM 2606 N TRP A 170 -0.798 -17.671 -9.050 1.00 1.04 N ATOM 2607 CA TRP A 170 -0.841 -16.429 -8.229 1.00 1.01 C ATOM 2608 C TRP A 170 -2.233 -16.266 -7.611 1.00 0.92 C ATOM 2609 O TRP A 170 -2.468 -15.380 -6.812 1.00 0.95 O ATOM 2610 CB TRP A 170 -0.528 -15.222 -9.114 1.00 1.32 C ATOM 2611 CG TRP A 170 -1.482 -15.186 -10.264 1.00 1.70 C ATOM 2612 CD1 TRP A 170 -2.763 -14.756 -10.195 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -1.258 -15.586 -11.647 1.00 2.52 C ATOM 2614 NE1 TRP A 170 -3.339 -14.866 -11.447 1.00 3.04 N ATOM 2615 CE2 TRP A 170 -2.452 -15.373 -12.376 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -0.147 -16.109 -12.333 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 -2.540 -15.667 -13.737 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -0.232 -16.406 -13.703 1.00 4.37 C ATOM 2619 CH2 TRP A 170 -1.426 -16.185 -14.404 1.00 4.64 C ATOM 0 HA TRP A 170 -0.100 -16.497 -7.432 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -0.606 -14.302 -8.534 1.00 1.32 H new ATOM 0 HB3 TRP A 170 0.497 -15.282 -9.480 1.00 1.32 H new ATOM 0 HD1 TRP A 170 -3.255 -14.387 -9.307 1.00 2.30 H new ATOM 0 HE1 TRP A 170 -4.302 -14.604 -11.659 1.00 3.04 H new ATOM 0 HE3 TRP A 170 0.778 -16.283 -11.803 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 -3.463 -15.496 -14.272 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 0.627 -16.807 -14.220 1.00 4.37 H new ATOM 0 HH2 TRP A 170 -1.485 -16.415 -15.458 1.00 4.64 H new ATOM 2630 N GLN A 171 -3.158 -17.113 -7.972 1.00 0.88 N ATOM 2631 CA GLN A 171 -4.529 -17.001 -7.399 1.00 0.84 C ATOM 2632 C GLN A 171 -4.454 -17.143 -5.877 1.00 0.75 C ATOM 2633 O GLN A 171 -5.309 -16.659 -5.162 1.00 0.75 O ATOM 2634 CB GLN A 171 -5.417 -18.107 -7.976 1.00 0.88 C ATOM 2635 CG GLN A 171 -5.469 -17.981 -9.500 1.00 1.57 C ATOM 2636 CD GLN A 171 -6.407 -19.049 -10.068 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -7.140 -18.795 -11.003 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -6.414 -20.242 -9.540 1.00 2.34 N ATOM 0 H GLN A 171 -3.024 -17.875 -8.637 1.00 0.88 H new ATOM 0 HA GLN A 171 -4.954 -16.030 -7.653 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -5.026 -19.085 -7.695 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -6.422 -18.034 -7.560 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -5.818 -16.988 -9.782 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -4.470 -18.099 -9.920 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -5.799 -20.456 -8.755 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -7.035 -20.961 -9.912 1.00 2.34 H new ATOM 2647 N THR A 172 -3.436 -17.783 -5.370 1.00 0.67 N ATOM 2648 CA THR A 172 -3.320 -17.924 -3.890 1.00 0.60 C ATOM 2649 C THR A 172 -3.091 -16.533 -3.290 1.00 0.59 C ATOM 2650 O THR A 172 -3.615 -16.218 -2.237 1.00 0.74 O ATOM 2651 CB THR A 172 -2.153 -18.868 -3.556 1.00 0.59 C ATOM 2652 OG1 THR A 172 -2.605 -20.209 -3.680 1.00 0.81 O ATOM 2653 CG2 THR A 172 -1.661 -18.639 -2.123 1.00 0.92 C ATOM 0 H THR A 172 -2.685 -18.211 -5.911 1.00 0.67 H new ATOM 0 HA THR A 172 -4.231 -18.350 -3.469 1.00 0.60 H new ATOM 0 HB THR A 172 -1.330 -18.671 -4.243 1.00 0.59 H new ATOM 0 HG1 THR A 172 -1.870 -20.823 -3.471 1.00 0.81 H new ATOM 0 HG21 THR A 172 -0.835 -19.318 -1.909 1.00 0.92 H new ATOM 0 HG22 THR A 172 -1.321 -17.609 -2.015 1.00 0.92 H new ATOM 0 HG23 THR A 172 -2.476 -18.827 -1.424 1.00 0.92 H new ATOM 2661 N VAL A 173 -2.335 -15.692 -3.934 1.00 0.59 N ATOM 2662 CA VAL A 173 -2.102 -14.324 -3.384 1.00 0.58 C ATOM 2663 C VAL A 173 -3.420 -13.545 -3.390 1.00 0.57 C ATOM 2664 O VAL A 173 -3.691 -12.772 -2.492 1.00 0.60 O ATOM 2665 CB VAL A 173 -1.069 -13.611 -4.268 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -0.986 -12.128 -3.896 1.00 1.13 C ATOM 2667 CG2 VAL A 173 0.302 -14.262 -4.068 1.00 1.01 C ATOM 0 H VAL A 173 -1.867 -15.890 -4.818 1.00 0.59 H new ATOM 0 HA VAL A 173 -1.731 -14.385 -2.361 1.00 0.58 H new ATOM 0 HB VAL A 173 -1.373 -13.698 -5.311 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -0.250 -11.634 -4.530 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -1.961 -11.662 -4.040 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -0.688 -12.031 -2.852 1.00 1.13 H new ATOM 0 HG21 VAL A 173 1.039 -13.759 -4.694 1.00 1.01 H new ATOM 0 HG22 VAL A 173 0.596 -14.177 -3.022 1.00 1.01 H new ATOM 0 HG23 VAL A 173 0.249 -15.315 -4.345 1.00 1.01 H new ATOM 2677 N THR A 174 -4.249 -13.743 -4.374 1.00 0.55 N ATOM 2678 CA THR A 174 -5.549 -13.011 -4.398 1.00 0.56 C ATOM 2679 C THR A 174 -6.345 -13.369 -3.137 1.00 0.53 C ATOM 2680 O THR A 174 -6.956 -12.521 -2.517 1.00 0.55 O ATOM 2681 CB THR A 174 -6.339 -13.425 -5.643 1.00 0.59 C ATOM 2682 OG1 THR A 174 -5.554 -13.183 -6.802 1.00 1.37 O ATOM 2683 CG2 THR A 174 -7.633 -12.616 -5.722 1.00 1.27 C ATOM 0 H THR A 174 -4.087 -14.375 -5.158 1.00 0.55 H new ATOM 0 HA THR A 174 -5.372 -11.936 -4.425 1.00 0.56 H new ATOM 0 HB THR A 174 -6.581 -14.486 -5.583 1.00 0.59 H new ATOM 0 HG1 THR A 174 -6.058 -13.449 -7.600 1.00 1.37 H new ATOM 0 HG21 THR A 174 -8.194 -12.912 -6.609 1.00 1.27 H new ATOM 0 HG22 THR A 174 -8.235 -12.804 -4.833 1.00 1.27 H new ATOM 0 HG23 THR A 174 -7.395 -11.554 -5.781 1.00 1.27 H new ATOM 2691 N ILE A 175 -6.336 -14.613 -2.752 1.00 0.51 N ATOM 2692 CA ILE A 175 -7.085 -15.036 -1.529 1.00 0.50 C ATOM 2693 C ILE A 175 -6.277 -14.655 -0.283 1.00 0.49 C ATOM 2694 O ILE A 175 -6.809 -14.545 0.804 1.00 0.49 O ATOM 2695 CB ILE A 175 -7.260 -16.552 -1.577 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -8.007 -16.948 -2.855 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -8.037 -17.067 -0.362 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -7.924 -18.465 -3.044 1.00 0.89 C ATOM 0 H ILE A 175 -5.840 -15.363 -3.233 1.00 0.51 H new ATOM 0 HA ILE A 175 -8.057 -14.545 -1.490 1.00 0.50 H new ATOM 0 HB ILE A 175 -6.267 -17.001 -1.567 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -9.049 -16.635 -2.792 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -7.573 -16.439 -3.716 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -8.142 -18.150 -0.430 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -7.497 -16.811 0.550 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -9.025 -16.607 -0.340 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -8.455 -18.748 -3.953 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -6.879 -18.765 -3.126 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -8.379 -18.964 -2.188 1.00 0.89 H new ATOM 2710 N PHE A 176 -5.003 -14.428 -0.438 1.00 0.48 N ATOM 2711 CA PHE A 176 -4.160 -14.025 0.725 1.00 0.49 C ATOM 2712 C PHE A 176 -4.484 -12.579 1.110 1.00 0.49 C ATOM 2713 O PHE A 176 -4.776 -12.276 2.251 1.00 0.56 O ATOM 2714 CB PHE A 176 -2.685 -14.092 0.305 1.00 0.51 C ATOM 2715 CG PHE A 176 -1.816 -13.946 1.537 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -1.483 -15.075 2.299 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -1.355 -12.683 1.923 1.00 1.23 C ATOM 2718 CE1 PHE A 176 -0.687 -14.938 3.443 1.00 1.52 C ATOM 2719 CE2 PHE A 176 -0.561 -12.546 3.068 1.00 1.22 C ATOM 2720 CZ PHE A 176 -0.226 -13.673 3.828 1.00 0.76 C ATOM 0 H PHE A 176 -4.505 -14.504 -1.325 1.00 0.48 H new ATOM 0 HA PHE A 176 -4.354 -14.688 1.568 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -2.478 -15.040 -0.192 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -2.461 -13.301 -0.410 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -1.840 -16.050 2.004 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -1.612 -11.813 1.337 1.00 1.23 H new ATOM 0 HE1 PHE A 176 -0.429 -15.808 4.028 1.00 1.52 H new ATOM 0 HE2 PHE A 176 -0.207 -11.570 3.365 1.00 1.22 H new ATOM 0 HZ PHE A 176 0.387 -13.567 4.710 1.00 0.76 H new ATOM 2730 N VAL A 177 -4.398 -11.682 0.164 1.00 0.46 N ATOM 2731 CA VAL A 177 -4.662 -10.239 0.449 1.00 0.48 C ATOM 2732 C VAL A 177 -6.159 -10.001 0.673 1.00 0.44 C ATOM 2733 O VAL A 177 -6.546 -9.061 1.339 1.00 0.57 O ATOM 2734 CB VAL A 177 -4.188 -9.410 -0.756 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -4.655 -7.956 -0.618 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -2.659 -9.452 -0.830 1.00 1.24 C ATOM 0 H VAL A 177 -4.154 -11.889 -0.804 1.00 0.46 H new ATOM 0 HA VAL A 177 -4.126 -9.944 1.351 1.00 0.48 H new ATOM 0 HB VAL A 177 -4.614 -9.831 -1.667 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -4.312 -7.381 -1.478 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -5.744 -7.926 -0.572 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -4.241 -7.526 0.294 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -2.320 -8.865 -1.684 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -2.239 -9.037 0.086 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -2.329 -10.484 -0.945 1.00 1.24 H new ATOM 2746 N ALA A 178 -7.004 -10.830 0.133 1.00 0.45 N ATOM 2747 CA ALA A 178 -8.470 -10.625 0.329 1.00 0.43 C ATOM 2748 C ALA A 178 -8.913 -11.222 1.668 1.00 0.40 C ATOM 2749 O ALA A 178 -9.612 -10.595 2.438 1.00 0.40 O ATOM 2750 CB ALA A 178 -9.228 -11.318 -0.804 1.00 0.46 C ATOM 0 H ALA A 178 -6.748 -11.638 -0.434 1.00 0.45 H new ATOM 0 HA ALA A 178 -8.685 -9.556 0.327 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -10.300 -11.172 -0.667 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -8.923 -10.892 -1.760 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -9.003 -12.384 -0.794 1.00 0.46 H new ATOM 2756 N GLY A 179 -8.528 -12.439 1.939 1.00 0.41 N ATOM 2757 CA GLY A 179 -8.943 -13.092 3.215 1.00 0.43 C ATOM 2758 C GLY A 179 -8.419 -12.307 4.419 1.00 0.43 C ATOM 2759 O GLY A 179 -9.048 -12.258 5.458 1.00 0.48 O ATOM 0 H GLY A 179 -7.942 -13.011 1.331 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -10.030 -13.155 3.261 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -8.563 -14.113 3.247 1.00 0.43 H new ATOM 2763 N VAL A 180 -7.265 -11.709 4.303 1.00 0.42 N ATOM 2764 CA VAL A 180 -6.706 -10.954 5.458 1.00 0.45 C ATOM 2765 C VAL A 180 -7.374 -9.586 5.591 1.00 0.45 C ATOM 2766 O VAL A 180 -7.563 -9.081 6.678 1.00 0.43 O ATOM 2767 CB VAL A 180 -5.197 -10.771 5.283 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -4.928 -9.881 4.068 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -4.610 -10.110 6.535 1.00 1.41 C ATOM 0 H VAL A 180 -6.688 -11.711 3.462 1.00 0.42 H new ATOM 0 HA VAL A 180 -6.902 -11.527 6.364 1.00 0.45 H new ATOM 0 HB VAL A 180 -4.731 -11.745 5.134 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -3.853 -9.751 3.943 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -5.343 -10.349 3.175 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -5.396 -8.908 4.219 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -3.535 -9.981 6.408 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -5.077 -9.137 6.686 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -4.799 -10.742 7.403 1.00 1.41 H new ATOM 2779 N LEU A 181 -7.734 -8.973 4.495 1.00 0.49 N ATOM 2780 CA LEU A 181 -8.380 -7.636 4.588 1.00 0.50 C ATOM 2781 C LEU A 181 -9.746 -7.795 5.271 1.00 0.49 C ATOM 2782 O LEU A 181 -10.050 -7.156 6.257 1.00 0.51 O ATOM 2783 CB LEU A 181 -8.551 -7.060 3.166 1.00 0.56 C ATOM 2784 CG LEU A 181 -8.506 -5.519 3.157 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -9.332 -4.927 4.310 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -7.051 -5.020 3.246 1.00 1.20 C ATOM 0 H LEU A 181 -7.610 -9.337 3.550 1.00 0.49 H new ATOM 0 HA LEU A 181 -7.765 -6.953 5.173 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -7.764 -7.449 2.520 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -9.500 -7.397 2.750 1.00 0.56 H new ATOM 0 HG LEU A 181 -8.943 -5.183 2.216 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -9.279 -3.839 4.274 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -10.371 -5.243 4.213 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -8.933 -5.279 5.261 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -7.039 -3.930 3.238 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -6.598 -5.381 4.169 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -6.485 -5.395 2.393 1.00 1.20 H new ATOM 2798 N THR A 182 -10.575 -8.634 4.707 1.00 0.49 N ATOM 2799 CA THR A 182 -11.938 -8.845 5.265 1.00 0.51 C ATOM 2800 C THR A 182 -11.858 -9.212 6.747 1.00 0.48 C ATOM 2801 O THR A 182 -12.697 -8.830 7.538 1.00 0.51 O ATOM 2802 CB THR A 182 -12.644 -9.960 4.497 1.00 0.54 C ATOM 2803 OG1 THR A 182 -11.875 -11.151 4.576 1.00 1.16 O ATOM 2804 CG2 THR A 182 -12.802 -9.541 3.037 1.00 1.07 C ATOM 0 H THR A 182 -10.361 -9.186 3.876 1.00 0.49 H new ATOM 0 HA THR A 182 -12.504 -7.919 5.163 1.00 0.51 H new ATOM 0 HB THR A 182 -13.627 -10.141 4.931 1.00 0.54 H new ATOM 0 HG1 THR A 182 -11.118 -11.093 3.956 1.00 1.16 H new ATOM 0 HG21 THR A 182 -13.306 -10.334 2.483 1.00 1.07 H new ATOM 0 HG22 THR A 182 -13.394 -8.628 2.983 1.00 1.07 H new ATOM 0 HG23 THR A 182 -11.819 -9.362 2.601 1.00 1.07 H new ATOM 2812 N ALA A 183 -10.858 -9.962 7.130 1.00 0.45 N ATOM 2813 CA ALA A 183 -10.738 -10.360 8.562 1.00 0.44 C ATOM 2814 C ALA A 183 -10.594 -9.109 9.424 1.00 0.44 C ATOM 2815 O ALA A 183 -11.193 -8.987 10.473 1.00 0.50 O ATOM 2816 CB ALA A 183 -9.502 -11.248 8.736 1.00 0.46 C ATOM 0 H ALA A 183 -10.123 -10.314 6.516 1.00 0.45 H new ATOM 0 HA ALA A 183 -11.628 -10.910 8.868 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -9.409 -11.542 9.782 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -9.604 -12.139 8.116 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -8.612 -10.696 8.434 1.00 0.46 H new ATOM 2822 N SER A 184 -9.805 -8.169 8.974 1.00 0.47 N ATOM 2823 CA SER A 184 -9.613 -6.905 9.740 1.00 0.51 C ATOM 2824 C SER A 184 -10.834 -6.004 9.554 1.00 0.54 C ATOM 2825 O SER A 184 -11.349 -5.430 10.492 1.00 0.56 O ATOM 2826 CB SER A 184 -8.365 -6.184 9.227 1.00 0.62 C ATOM 2827 OG SER A 184 -7.261 -7.080 9.247 1.00 1.55 O ATOM 0 H SER A 184 -9.281 -8.225 8.100 1.00 0.47 H new ATOM 0 HA SER A 184 -9.491 -7.137 10.798 1.00 0.51 H new ATOM 0 HB2 SER A 184 -8.533 -5.819 8.214 1.00 0.62 H new ATOM 0 HB3 SER A 184 -8.153 -5.314 9.848 1.00 0.62 H new ATOM 0 HG SER A 184 -7.317 -7.685 8.478 1.00 1.55 H new ATOM 2833 N LEU A 185 -11.319 -5.878 8.356 1.00 0.58 N ATOM 2834 CA LEU A 185 -12.510 -5.017 8.146 1.00 0.69 C ATOM 2835 C LEU A 185 -13.666 -5.555 8.991 1.00 0.69 C ATOM 2836 O LEU A 185 -14.584 -4.842 9.345 1.00 0.79 O ATOM 2837 CB LEU A 185 -12.896 -5.049 6.664 1.00 0.71 C ATOM 2838 CG LEU A 185 -14.112 -4.146 6.394 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -13.849 -2.714 6.893 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -14.375 -4.141 4.886 1.00 1.18 C ATOM 0 H LEU A 185 -10.947 -6.329 7.520 1.00 0.58 H new ATOM 0 HA LEU A 185 -12.289 -3.991 8.441 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -12.052 -4.721 6.057 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -13.124 -6.072 6.366 1.00 0.71 H new ATOM 0 HG LEU A 185 -14.982 -4.528 6.929 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -14.722 -2.093 6.692 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -13.656 -2.732 7.966 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -12.983 -2.302 6.375 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -15.234 -3.506 4.669 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -13.498 -3.756 4.365 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -14.580 -5.157 4.549 1.00 1.18 H new ATOM 2852 N THR A 186 -13.625 -6.828 9.300 1.00 0.62 N ATOM 2853 CA THR A 186 -14.711 -7.460 10.107 1.00 0.68 C ATOM 2854 C THR A 186 -14.328 -7.495 11.590 1.00 0.62 C ATOM 2855 O THR A 186 -15.170 -7.714 12.437 1.00 0.64 O ATOM 2856 CB THR A 186 -14.967 -8.883 9.600 1.00 0.73 C ATOM 2857 OG1 THR A 186 -15.080 -8.864 8.184 1.00 0.89 O ATOM 2858 CG2 THR A 186 -16.258 -9.435 10.207 1.00 1.00 C ATOM 0 H THR A 186 -12.876 -7.462 9.023 1.00 0.62 H new ATOM 0 HA THR A 186 -15.619 -6.867 9.999 1.00 0.68 H new ATOM 0 HB THR A 186 -14.135 -9.522 9.896 1.00 0.73 H new ATOM 0 HG1 THR A 186 -14.248 -9.194 7.785 1.00 0.89 H new ATOM 0 HG21 THR A 186 -16.429 -10.447 9.839 1.00 1.00 H new ATOM 0 HG22 THR A 186 -16.170 -9.454 11.293 1.00 1.00 H new ATOM 0 HG23 THR A 186 -17.096 -8.798 9.921 1.00 1.00 H new ATOM 2866 N ILE A 187 -13.076 -7.296 11.940 1.00 0.64 N ATOM 2867 CA ILE A 187 -12.728 -7.347 13.399 1.00 0.66 C ATOM 2868 C ILE A 187 -13.222 -6.047 14.032 1.00 0.66 C ATOM 2869 O ILE A 187 -13.402 -5.969 15.231 1.00 0.75 O ATOM 2870 CB ILE A 187 -11.211 -7.526 13.578 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -10.926 -8.156 14.944 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -10.492 -6.168 13.486 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -9.412 -8.283 15.135 1.00 0.87 C ATOM 0 H ILE A 187 -12.303 -7.106 11.302 1.00 0.64 H new ATOM 0 HA ILE A 187 -13.205 -8.197 13.887 1.00 0.66 H new ATOM 0 HB ILE A 187 -10.842 -8.176 12.785 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -11.354 -7.543 15.737 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -11.396 -9.137 15.010 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -9.420 -6.315 13.615 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -10.682 -5.721 12.510 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -10.864 -5.506 14.267 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -9.204 -8.731 16.107 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -8.998 -8.914 14.348 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -8.955 -7.295 15.086 1.00 0.87 H new ATOM 2885 N TRP A 188 -13.423 -5.026 13.235 1.00 0.64 N ATOM 2886 CA TRP A 188 -13.900 -3.713 13.781 1.00 0.70 C ATOM 2887 C TRP A 188 -14.958 -3.959 14.862 1.00 0.81 C ATOM 2888 O TRP A 188 -14.717 -3.713 16.026 1.00 1.06 O ATOM 2889 CB TRP A 188 -14.514 -2.896 12.637 1.00 0.85 C ATOM 2890 CG TRP A 188 -14.604 -1.458 13.037 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -13.567 -0.590 13.049 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -15.771 -0.709 13.482 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -14.022 0.645 13.473 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -15.375 0.622 13.752 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -17.121 -1.051 13.676 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -16.285 1.580 14.199 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -18.041 -0.090 14.125 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -17.623 1.223 14.386 1.00 1.71 C ATOM 0 H TRP A 188 -13.277 -5.044 12.226 1.00 0.64 H new ATOM 0 HA TRP A 188 -13.064 -3.168 14.219 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -13.905 -2.996 11.738 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -15.505 -3.279 12.395 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -12.549 -0.823 12.773 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -13.432 1.471 13.568 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -17.453 -2.060 13.478 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -15.958 2.590 14.399 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -19.076 -0.363 14.270 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -18.335 1.958 14.731 1.00 1.71 H new