USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 940 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 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 121 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 ASN : amide:sc=-0.00558 K(o=-0.45,f=-1.3) USER MOD Set 2.2: A 130 HIS : no HE2:sc= -0.447 K(o=-0.45,f=-5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 136:sc= -0.0503 (180deg=-0.443) USER MOD Single : A 48 GLN : amide:sc= -1.43 K(o=-1.4,f=-6.3!) USER MOD Single : A 49 GLN : amide:sc= -0.804 K(o=-0.8,f=-5.4!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.988 F(o=-3.6!,f=-0.99) USER MOD Single : A 72 THR OG1 : rot -74:sc= 1.16 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00138 K(o=-0.0014,f=-0.95) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 69:sc= 1.03 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 85:sc= 1.32 USER MOD Single : A 96 THR OG1 : rot -30:sc= 0.555 USER MOD Single : A 99 MET CE :methyl -164:sc= -1.11 (180deg=-1.33) USER MOD Single : A 104 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 108 SER OG : rot -42:sc= 0.26 USER MOD Single : A 122 ASN :FLIP amide:sc= -0.532 F(o=-1.4,f=-0.53) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -0.0413 X(o=-0.041,f=-0.44) USER MOD Single : A 142 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.6!) USER MOD Single : A 144 MET CE :methyl -148:sc= -1.27 (180deg=-2.8!) USER MOD Single : A 146 TYR OH : rot 33:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 239 N ALA A 18 -7.644 5.608 -3.847 1.00 61.23 N ATOM 240 CA ALA A 18 -6.550 5.125 -4.649 1.00 21.14 C ATOM 241 C ALA A 18 -6.168 6.153 -5.710 1.00 45.41 C ATOM 242 O ALA A 18 -7.043 6.750 -6.353 1.00 11.22 O ATOM 243 CB ALA A 18 -6.932 3.810 -5.294 1.00 51.42 C ATOM 0 HA ALA A 18 -5.684 4.965 -4.007 1.00 21.14 H new ATOM 0 HB1 ALA A 18 -6.102 3.447 -5.900 1.00 51.42 H new ATOM 0 HB2 ALA A 18 -7.163 3.078 -4.520 1.00 51.42 H new ATOM 0 HB3 ALA A 18 -7.807 3.956 -5.927 1.00 51.42 H new ATOM 249 N GLY A 19 -4.890 6.398 -5.844 1.00 50.43 N ATOM 250 CA GLY A 19 -4.389 7.312 -6.833 1.00 1.44 C ATOM 251 C GLY A 19 -3.789 6.561 -7.991 1.00 53.45 C ATOM 252 O GLY A 19 -4.474 6.279 -8.981 1.00 61.33 O ATOM 0 H GLY A 19 -4.167 5.967 -5.268 1.00 50.43 H new ATOM 0 HA2 GLY A 19 -5.197 7.952 -7.187 1.00 1.44 H new ATOM 0 HA3 GLY A 19 -3.638 7.964 -6.387 1.00 1.44 H new ATOM 256 N ASP A 20 -2.524 6.223 -7.886 1.00 13.03 N ATOM 257 CA ASP A 20 -1.866 5.436 -8.900 1.00 40.32 C ATOM 258 C ASP A 20 -0.919 4.436 -8.275 1.00 73.15 C ATOM 259 O ASP A 20 -0.532 4.574 -7.113 1.00 72.45 O ATOM 260 CB ASP A 20 -1.187 6.284 -10.004 1.00 40.12 C ATOM 261 CG ASP A 20 -0.073 7.203 -9.555 1.00 33.30 C ATOM 262 OD1 ASP A 20 -0.362 8.344 -9.116 1.00 11.22 O ATOM 263 OD2 ASP A 20 1.102 6.846 -9.719 1.00 21.15 O ATOM 0 H ASP A 20 -1.927 6.484 -7.101 1.00 13.03 H new ATOM 0 HA ASP A 20 -2.648 4.881 -9.418 1.00 40.32 H new ATOM 0 HB2 ASP A 20 -0.788 5.606 -10.759 1.00 40.12 H new ATOM 0 HB3 ASP A 20 -1.953 6.888 -10.491 1.00 40.12 H new ATOM 268 N ASP A 21 -0.586 3.420 -9.033 1.00 10.44 N ATOM 269 CA ASP A 21 0.212 2.294 -8.553 1.00 11.41 C ATOM 270 C ASP A 21 1.702 2.472 -8.825 1.00 40.24 C ATOM 271 O ASP A 21 2.108 2.881 -9.917 1.00 45.32 O ATOM 272 CB ASP A 21 -0.320 0.989 -9.155 1.00 32.31 C ATOM 273 CG ASP A 21 0.562 -0.208 -8.901 1.00 0.21 C ATOM 274 OD1 ASP A 21 1.083 -0.354 -7.779 1.00 3.00 O ATOM 275 OD2 ASP A 21 0.729 -1.021 -9.848 1.00 33.31 O ATOM 0 H ASP A 21 -0.859 3.341 -10.013 1.00 10.44 H new ATOM 0 HA ASP A 21 0.111 2.251 -7.469 1.00 11.41 H new ATOM 0 HB2 ASP A 21 -1.311 0.790 -8.747 1.00 32.31 H new ATOM 0 HB3 ASP A 21 -0.438 1.119 -10.231 1.00 32.31 H new ATOM 280 N VAL A 22 2.504 2.127 -7.846 1.00 55.04 N ATOM 281 CA VAL A 22 3.942 2.320 -7.905 1.00 11.15 C ATOM 282 C VAL A 22 4.675 1.026 -8.271 1.00 72.24 C ATOM 283 O VAL A 22 5.760 1.067 -8.880 1.00 21.13 O ATOM 284 CB VAL A 22 4.489 2.911 -6.571 1.00 70.11 C ATOM 285 CG1 VAL A 22 6.012 3.008 -6.566 1.00 10.13 C ATOM 286 CG2 VAL A 22 3.883 4.288 -6.328 1.00 14.25 C ATOM 0 H VAL A 22 2.179 1.701 -6.978 1.00 55.04 H new ATOM 0 HA VAL A 22 4.136 3.042 -8.698 1.00 11.15 H new ATOM 0 HB VAL A 22 4.201 2.231 -5.769 1.00 70.11 H new ATOM 0 HG11 VAL A 22 6.347 3.425 -5.616 1.00 10.13 H new ATOM 0 HG12 VAL A 22 6.440 2.014 -6.697 1.00 10.13 H new ATOM 0 HG13 VAL A 22 6.338 3.654 -7.381 1.00 10.13 H new ATOM 0 HG21 VAL A 22 4.269 4.696 -5.394 1.00 14.25 H new ATOM 0 HG22 VAL A 22 4.147 4.952 -7.151 1.00 14.25 H new ATOM 0 HG23 VAL A 22 2.798 4.202 -6.265 1.00 14.25 H new ATOM 296 N LEU A 23 4.089 -0.119 -7.962 1.00 1.33 N ATOM 297 CA LEU A 23 4.761 -1.353 -8.295 1.00 32.53 C ATOM 298 C LEU A 23 4.551 -1.700 -9.764 1.00 44.22 C ATOM 299 O LEU A 23 3.934 -0.922 -10.515 1.00 64.21 O ATOM 300 CB LEU A 23 4.474 -2.537 -7.298 1.00 74.35 C ATOM 301 CG LEU A 23 3.016 -2.920 -6.939 1.00 41.52 C ATOM 302 CD1 LEU A 23 2.228 -3.326 -8.136 1.00 1.53 C ATOM 303 CD2 LEU A 23 3.003 -4.066 -5.961 1.00 64.51 C ATOM 0 H LEU A 23 3.185 -0.216 -7.499 1.00 1.33 H new ATOM 0 HA LEU A 23 5.829 -1.183 -8.159 1.00 32.53 H new ATOM 0 HB2 LEU A 23 4.950 -3.427 -7.709 1.00 74.35 H new ATOM 0 HB3 LEU A 23 4.986 -2.304 -6.364 1.00 74.35 H new ATOM 0 HG LEU A 23 2.560 -2.031 -6.502 1.00 41.52 H new ATOM 0 HD11 LEU A 23 1.213 -3.585 -7.833 1.00 1.53 H new ATOM 0 HD12 LEU A 23 2.195 -2.500 -8.847 1.00 1.53 H new ATOM 0 HD13 LEU A 23 2.698 -4.190 -8.605 1.00 1.53 H new ATOM 0 HD21 LEU A 23 1.973 -4.325 -5.717 1.00 64.51 H new ATOM 0 HD22 LEU A 23 3.499 -4.929 -6.405 1.00 64.51 H new ATOM 0 HD23 LEU A 23 3.528 -3.774 -5.052 1.00 64.51 H new ATOM 315 N ASP A 24 5.078 -2.791 -10.198 1.00 53.30 N ATOM 316 CA ASP A 24 4.951 -3.160 -11.580 1.00 72.04 C ATOM 317 C ASP A 24 3.860 -4.195 -11.684 1.00 44.45 C ATOM 318 O ASP A 24 3.638 -4.934 -10.731 1.00 53.43 O ATOM 319 CB ASP A 24 6.287 -3.725 -12.104 1.00 71.34 C ATOM 320 CG ASP A 24 6.288 -3.955 -13.601 1.00 73.05 C ATOM 321 OD1 ASP A 24 6.608 -3.015 -14.349 1.00 4.43 O ATOM 322 OD2 ASP A 24 5.953 -5.069 -14.059 1.00 63.45 O ATOM 0 H ASP A 24 5.603 -3.449 -9.622 1.00 53.30 H new ATOM 0 HA ASP A 24 4.698 -2.290 -12.185 1.00 72.04 H new ATOM 0 HB2 ASP A 24 7.092 -3.036 -11.848 1.00 71.34 H new ATOM 0 HB3 ASP A 24 6.500 -4.666 -11.598 1.00 71.34 H new ATOM 327 N PRO A 25 3.105 -4.238 -12.799 1.00 14.11 N ATOM 328 CA PRO A 25 2.090 -5.274 -13.039 1.00 41.53 C ATOM 329 C PRO A 25 2.616 -6.707 -12.847 1.00 30.32 C ATOM 330 O PRO A 25 1.827 -7.634 -12.644 1.00 4.24 O ATOM 331 CB PRO A 25 1.692 -5.048 -14.487 1.00 14.00 C ATOM 332 CG PRO A 25 1.912 -3.599 -14.709 1.00 71.15 C ATOM 333 CD PRO A 25 3.107 -3.227 -13.879 1.00 32.53 C ATOM 0 HA PRO A 25 1.268 -5.191 -12.328 1.00 41.53 H new ATOM 0 HB2 PRO A 25 2.298 -5.650 -15.164 1.00 14.00 H new ATOM 0 HB3 PRO A 25 0.652 -5.323 -14.661 1.00 14.00 H new ATOM 0 HG2 PRO A 25 2.089 -3.389 -15.764 1.00 71.15 H new ATOM 0 HG3 PRO A 25 1.036 -3.022 -14.412 1.00 71.15 H new ATOM 0 HD2 PRO A 25 4.028 -3.264 -14.462 1.00 32.53 H new ATOM 0 HD3 PRO A 25 3.021 -2.215 -13.482 1.00 32.53 H new ATOM 341 N ASP A 26 3.936 -6.876 -12.931 1.00 71.10 N ATOM 342 CA ASP A 26 4.587 -8.160 -12.696 1.00 41.14 C ATOM 343 C ASP A 26 4.421 -8.588 -11.232 1.00 1.32 C ATOM 344 O ASP A 26 4.424 -9.790 -10.913 1.00 42.24 O ATOM 345 CB ASP A 26 6.062 -8.089 -13.092 1.00 12.23 C ATOM 346 CG ASP A 26 6.824 -9.372 -12.870 1.00 24.24 C ATOM 347 OD1 ASP A 26 6.506 -10.394 -13.521 1.00 23.02 O ATOM 348 OD2 ASP A 26 7.779 -9.369 -12.066 1.00 72.24 O ATOM 0 H ASP A 26 4.583 -6.123 -13.165 1.00 71.10 H new ATOM 0 HA ASP A 26 4.108 -8.916 -13.319 1.00 41.14 H new ATOM 0 HB2 ASP A 26 6.131 -7.816 -14.145 1.00 12.23 H new ATOM 0 HB3 ASP A 26 6.541 -7.292 -12.524 1.00 12.23 H new ATOM 353 N GLU A 27 4.272 -7.619 -10.339 1.00 64.30 N ATOM 354 CA GLU A 27 3.933 -7.927 -8.975 1.00 12.43 C ATOM 355 C GLU A 27 2.431 -8.233 -8.924 1.00 24.15 C ATOM 356 O GLU A 27 1.609 -7.417 -9.389 1.00 3.43 O ATOM 357 CB GLU A 27 4.261 -6.792 -7.981 1.00 41.03 C ATOM 358 CG GLU A 27 5.743 -6.576 -7.632 1.00 52.54 C ATOM 359 CD GLU A 27 6.575 -5.948 -8.724 1.00 63.40 C ATOM 360 OE1 GLU A 27 6.491 -4.725 -8.917 1.00 22.55 O ATOM 361 OE2 GLU A 27 7.395 -6.650 -9.341 1.00 14.24 O ATOM 0 H GLU A 27 4.381 -6.625 -10.541 1.00 64.30 H new ATOM 0 HA GLU A 27 4.538 -8.780 -8.667 1.00 12.43 H new ATOM 0 HB2 GLU A 27 3.870 -5.860 -8.390 1.00 41.03 H new ATOM 0 HB3 GLU A 27 3.720 -6.986 -7.055 1.00 41.03 H new ATOM 0 HG2 GLU A 27 5.803 -5.947 -6.744 1.00 52.54 H new ATOM 0 HG3 GLU A 27 6.182 -7.539 -7.370 1.00 52.54 H new ATOM 368 N PRO A 28 2.040 -9.405 -8.395 1.00 51.02 N ATOM 369 CA PRO A 28 0.637 -9.814 -8.358 1.00 30.31 C ATOM 370 C PRO A 28 -0.224 -8.914 -7.461 1.00 50.42 C ATOM 371 O PRO A 28 0.203 -8.479 -6.366 1.00 4.23 O ATOM 372 CB PRO A 28 0.674 -11.244 -7.812 1.00 30.51 C ATOM 373 CG PRO A 28 2.099 -11.668 -7.895 1.00 61.44 C ATOM 374 CD PRO A 28 2.918 -10.422 -7.799 1.00 31.20 C ATOM 0 HA PRO A 28 0.181 -9.741 -9.345 1.00 30.31 H new ATOM 0 HB2 PRO A 28 0.314 -11.280 -6.784 1.00 30.51 H new ATOM 0 HB3 PRO A 28 0.034 -11.904 -8.398 1.00 30.51 H new ATOM 0 HG2 PRO A 28 2.346 -12.358 -7.088 1.00 61.44 H new ATOM 0 HG3 PRO A 28 2.295 -12.190 -8.832 1.00 61.44 H new ATOM 0 HD2 PRO A 28 3.170 -10.183 -6.766 1.00 31.20 H new ATOM 0 HD3 PRO A 28 3.858 -10.513 -8.343 1.00 31.20 H new ATOM 382 N THR A 29 -1.409 -8.625 -7.918 1.00 22.30 N ATOM 383 CA THR A 29 -2.310 -7.786 -7.188 1.00 40.51 C ATOM 384 C THR A 29 -3.606 -8.494 -6.790 1.00 40.14 C ATOM 385 O THR A 29 -3.993 -9.503 -7.374 1.00 72.40 O ATOM 386 CB THR A 29 -2.623 -6.519 -7.987 1.00 40.45 C ATOM 387 OG1 THR A 29 -2.837 -6.859 -9.379 1.00 72.30 O ATOM 388 CG2 THR A 29 -1.502 -5.497 -7.852 1.00 11.45 C ATOM 0 H THR A 29 -1.776 -8.965 -8.807 1.00 22.30 H new ATOM 0 HA THR A 29 -1.803 -7.520 -6.261 1.00 40.51 H new ATOM 0 HB THR A 29 -3.532 -6.070 -7.586 1.00 40.45 H new ATOM 0 HG1 THR A 29 -3.039 -6.046 -9.887 1.00 72.30 H new ATOM 0 HG21 THR A 29 -1.750 -4.606 -8.430 1.00 11.45 H new ATOM 0 HG22 THR A 29 -1.380 -5.227 -6.803 1.00 11.45 H new ATOM 0 HG23 THR A 29 -0.572 -5.925 -8.227 1.00 11.45 H new ATOM 396 N TYR A 30 -4.217 -7.975 -5.777 1.00 42.22 N ATOM 397 CA TYR A 30 -5.482 -8.403 -5.262 1.00 53.23 C ATOM 398 C TYR A 30 -6.511 -7.349 -5.563 1.00 11.22 C ATOM 399 O TYR A 30 -6.171 -6.208 -5.816 1.00 61.34 O ATOM 400 CB TYR A 30 -5.445 -8.638 -3.755 1.00 33.12 C ATOM 401 CG TYR A 30 -4.663 -9.840 -3.309 1.00 15.45 C ATOM 402 CD1 TYR A 30 -4.907 -11.085 -3.857 1.00 31.42 C ATOM 403 CD2 TYR A 30 -3.697 -9.734 -2.331 1.00 72.42 C ATOM 404 CE1 TYR A 30 -4.212 -12.193 -3.445 1.00 32.22 C ATOM 405 CE2 TYR A 30 -2.996 -10.840 -1.906 1.00 74.21 C ATOM 406 CZ TYR A 30 -3.254 -12.066 -2.465 1.00 43.23 C ATOM 407 OH TYR A 30 -2.557 -13.169 -2.036 1.00 42.00 O ATOM 0 H TYR A 30 -3.825 -7.193 -5.253 1.00 42.22 H new ATOM 0 HA TYR A 30 -5.732 -9.350 -5.741 1.00 53.23 H new ATOM 0 HB2 TYR A 30 -5.024 -7.754 -3.277 1.00 33.12 H new ATOM 0 HB3 TYR A 30 -6.469 -8.738 -3.395 1.00 33.12 H new ATOM 0 HD1 TYR A 30 -5.660 -11.187 -4.625 1.00 31.42 H new ATOM 0 HD2 TYR A 30 -3.487 -8.770 -1.892 1.00 72.42 H new ATOM 0 HE1 TYR A 30 -4.415 -13.158 -3.886 1.00 32.22 H new ATOM 0 HE2 TYR A 30 -2.246 -10.743 -1.135 1.00 74.21 H new ATOM 0 HH TYR A 30 -2.480 -13.813 -2.771 1.00 42.00 H new ATOM 417 N ASP A 31 -7.732 -7.728 -5.495 1.00 72.43 N ATOM 418 CA ASP A 31 -8.872 -6.883 -5.784 1.00 34.22 C ATOM 419 C ASP A 31 -9.836 -7.147 -4.658 1.00 3.34 C ATOM 420 O ASP A 31 -9.654 -8.137 -3.948 1.00 34.12 O ATOM 421 CB ASP A 31 -9.562 -7.323 -7.098 1.00 61.33 C ATOM 422 CG ASP A 31 -8.692 -7.278 -8.336 1.00 44.21 C ATOM 423 OD1 ASP A 31 -7.846 -8.171 -8.512 1.00 40.41 O ATOM 424 OD2 ASP A 31 -8.898 -6.394 -9.194 1.00 21.11 O ATOM 0 H ASP A 31 -7.996 -8.676 -5.226 1.00 72.43 H new ATOM 0 HA ASP A 31 -8.573 -5.839 -5.883 1.00 34.22 H new ATOM 0 HB2 ASP A 31 -9.931 -8.341 -6.971 1.00 61.33 H new ATOM 0 HB3 ASP A 31 -10.431 -6.687 -7.262 1.00 61.33 H new ATOM 429 N LEU A 32 -10.851 -6.310 -4.491 1.00 33.02 N ATOM 430 CA LEU A 32 -11.793 -6.433 -3.360 1.00 13.12 C ATOM 431 C LEU A 32 -12.379 -7.862 -3.163 1.00 70.23 C ATOM 432 O LEU A 32 -12.204 -8.448 -2.086 1.00 25.33 O ATOM 433 CB LEU A 32 -12.896 -5.352 -3.374 1.00 22.12 C ATOM 434 CG LEU A 32 -12.478 -3.914 -2.970 1.00 34.13 C ATOM 435 CD1 LEU A 32 -11.842 -3.866 -1.592 1.00 31.32 C ATOM 436 CD2 LEU A 32 -11.596 -3.228 -4.009 1.00 50.13 C ATOM 0 H LEU A 32 -11.053 -5.533 -5.120 1.00 33.02 H new ATOM 0 HA LEU A 32 -11.178 -6.250 -2.479 1.00 13.12 H new ATOM 0 HB2 LEU A 32 -13.319 -5.312 -4.378 1.00 22.12 H new ATOM 0 HB3 LEU A 32 -13.694 -5.674 -2.705 1.00 22.12 H new ATOM 0 HG LEU A 32 -13.407 -3.345 -2.927 1.00 34.13 H new ATOM 0 HD11 LEU A 32 -11.566 -2.839 -1.354 1.00 31.32 H new ATOM 0 HD12 LEU A 32 -12.552 -4.232 -0.851 1.00 31.32 H new ATOM 0 HD13 LEU A 32 -10.950 -4.493 -1.581 1.00 31.32 H new ATOM 0 HD21 LEU A 32 -11.340 -2.226 -3.664 1.00 50.13 H new ATOM 0 HD22 LEU A 32 -10.684 -3.807 -4.151 1.00 50.13 H new ATOM 0 HD23 LEU A 32 -12.134 -3.160 -4.955 1.00 50.13 H new ATOM 448 N PRO A 33 -13.039 -8.475 -4.195 1.00 41.11 N ATOM 449 CA PRO A 33 -13.581 -9.844 -4.072 1.00 63.41 C ATOM 450 C PRO A 33 -12.478 -10.894 -3.839 1.00 75.44 C ATOM 451 O PRO A 33 -12.687 -11.895 -3.144 1.00 1.33 O ATOM 452 CB PRO A 33 -14.269 -10.086 -5.428 1.00 53.12 C ATOM 453 CG PRO A 33 -13.638 -9.102 -6.356 1.00 33.22 C ATOM 454 CD PRO A 33 -13.348 -7.894 -5.526 1.00 54.13 C ATOM 0 HA PRO A 33 -14.250 -9.936 -3.217 1.00 63.41 H new ATOM 0 HB2 PRO A 33 -14.116 -11.109 -5.772 1.00 53.12 H new ATOM 0 HB3 PRO A 33 -15.346 -9.931 -5.359 1.00 53.12 H new ATOM 0 HG2 PRO A 33 -12.725 -9.506 -6.793 1.00 33.22 H new ATOM 0 HG3 PRO A 33 -14.306 -8.859 -7.182 1.00 33.22 H new ATOM 0 HD2 PRO A 33 -12.509 -7.323 -5.923 1.00 54.13 H new ATOM 0 HD3 PRO A 33 -14.202 -7.218 -5.484 1.00 54.13 H new ATOM 462 N ARG A 34 -11.311 -10.629 -4.398 1.00 33.32 N ATOM 463 CA ARG A 34 -10.167 -11.507 -4.321 1.00 12.04 C ATOM 464 C ARG A 34 -9.603 -11.518 -2.897 1.00 42.10 C ATOM 465 O ARG A 34 -9.193 -12.555 -2.393 1.00 62.32 O ATOM 466 CB ARG A 34 -9.122 -10.988 -5.282 1.00 61.54 C ATOM 467 CG ARG A 34 -7.963 -11.905 -5.587 1.00 64.51 C ATOM 468 CD ARG A 34 -8.415 -13.151 -6.309 1.00 72.03 C ATOM 469 NE ARG A 34 -7.279 -13.800 -6.969 1.00 21.43 N ATOM 470 CZ ARG A 34 -7.082 -15.114 -7.089 1.00 11.14 C ATOM 471 NH1 ARG A 34 -7.907 -15.974 -6.538 1.00 51.01 N ATOM 472 NH2 ARG A 34 -6.029 -15.560 -7.761 1.00 24.41 N ATOM 0 H ARG A 34 -11.133 -9.777 -4.929 1.00 33.32 H new ATOM 0 HA ARG A 34 -10.455 -12.526 -4.581 1.00 12.04 H new ATOM 0 HB2 ARG A 34 -9.617 -10.742 -6.222 1.00 61.54 H new ATOM 0 HB3 ARG A 34 -8.722 -10.058 -4.879 1.00 61.54 H new ATOM 0 HG2 ARG A 34 -7.231 -11.376 -6.197 1.00 64.51 H new ATOM 0 HG3 ARG A 34 -7.464 -12.183 -4.659 1.00 64.51 H new ATOM 0 HD2 ARG A 34 -8.876 -13.841 -5.602 1.00 72.03 H new ATOM 0 HD3 ARG A 34 -9.175 -12.896 -7.047 1.00 72.03 H new ATOM 0 HE ARG A 34 -6.571 -13.189 -7.376 1.00 21.43 H new ATOM 0 HH11 ARG A 34 -8.713 -15.641 -6.009 1.00 51.01 H new ATOM 0 HH12 ARG A 34 -7.742 -16.976 -6.639 1.00 51.01 H new ATOM 0 HH21 ARG A 34 -5.376 -14.900 -8.182 1.00 24.41 H new ATOM 0 HH22 ARG A 34 -5.873 -16.563 -7.856 1.00 24.41 H new ATOM 486 N VAL A 35 -9.580 -10.356 -2.255 1.00 71.42 N ATOM 487 CA VAL A 35 -9.085 -10.262 -0.884 1.00 51.22 C ATOM 488 C VAL A 35 -10.053 -10.958 0.048 1.00 51.22 C ATOM 489 O VAL A 35 -9.644 -11.656 0.976 1.00 21.40 O ATOM 490 CB VAL A 35 -8.855 -8.792 -0.410 1.00 3.31 C ATOM 491 CG1 VAL A 35 -8.333 -8.745 1.019 1.00 54.44 C ATOM 492 CG2 VAL A 35 -7.899 -8.062 -1.325 1.00 65.11 C ATOM 0 H VAL A 35 -9.895 -9.472 -2.656 1.00 71.42 H new ATOM 0 HA VAL A 35 -8.111 -10.751 -0.861 1.00 51.22 H new ATOM 0 HB VAL A 35 -9.823 -8.292 -0.445 1.00 3.31 H new ATOM 0 HG11 VAL A 35 -8.184 -7.707 1.318 1.00 54.44 H new ATOM 0 HG12 VAL A 35 -9.056 -9.214 1.686 1.00 54.44 H new ATOM 0 HG13 VAL A 35 -7.385 -9.280 1.078 1.00 54.44 H new ATOM 0 HG21 VAL A 35 -7.760 -7.042 -0.967 1.00 65.11 H new ATOM 0 HG22 VAL A 35 -6.938 -8.577 -1.333 1.00 65.11 H new ATOM 0 HG23 VAL A 35 -8.308 -8.040 -2.335 1.00 65.11 H new ATOM 502 N ALA A 36 -11.328 -10.796 -0.237 1.00 11.33 N ATOM 503 CA ALA A 36 -12.383 -11.439 0.523 1.00 44.22 C ATOM 504 C ALA A 36 -12.202 -12.945 0.473 1.00 14.32 C ATOM 505 O ALA A 36 -12.265 -13.638 1.490 1.00 32.33 O ATOM 506 CB ALA A 36 -13.726 -11.057 -0.063 1.00 54.42 C ATOM 0 H ALA A 36 -11.664 -10.214 -1.004 1.00 11.33 H new ATOM 0 HA ALA A 36 -12.339 -11.112 1.562 1.00 44.22 H new ATOM 0 HB1 ALA A 36 -14.521 -11.539 0.506 1.00 54.42 H new ATOM 0 HB2 ALA A 36 -13.849 -9.975 -0.015 1.00 54.42 H new ATOM 0 HB3 ALA A 36 -13.775 -11.382 -1.102 1.00 54.42 H new ATOM 512 N GLU A 37 -11.911 -13.408 -0.718 1.00 11.33 N ATOM 513 CA GLU A 37 -11.688 -14.800 -1.037 1.00 31.43 C ATOM 514 C GLU A 37 -10.466 -15.328 -0.268 1.00 62.43 C ATOM 515 O GLU A 37 -10.495 -16.418 0.327 1.00 71.20 O ATOM 516 CB GLU A 37 -11.410 -14.855 -2.522 1.00 53.24 C ATOM 517 CG GLU A 37 -11.476 -16.216 -3.153 1.00 10.34 C ATOM 518 CD GLU A 37 -11.211 -16.133 -4.624 1.00 23.04 C ATOM 519 OE1 GLU A 37 -10.043 -16.112 -5.023 1.00 43.54 O ATOM 520 OE2 GLU A 37 -12.170 -16.072 -5.415 1.00 14.12 O ATOM 0 H GLU A 37 -11.819 -12.798 -1.530 1.00 11.33 H new ATOM 0 HA GLU A 37 -12.549 -15.409 -0.764 1.00 31.43 H new ATOM 0 HB2 GLU A 37 -12.123 -14.206 -3.030 1.00 53.24 H new ATOM 0 HB3 GLU A 37 -10.418 -14.441 -2.702 1.00 53.24 H new ATOM 0 HG2 GLU A 37 -10.746 -16.875 -2.684 1.00 10.34 H new ATOM 0 HG3 GLU A 37 -12.459 -16.655 -2.980 1.00 10.34 H new ATOM 527 N LEU A 38 -9.413 -14.528 -0.278 1.00 13.20 N ATOM 528 CA LEU A 38 -8.156 -14.844 0.379 1.00 73.02 C ATOM 529 C LEU A 38 -8.322 -14.906 1.896 1.00 52.42 C ATOM 530 O LEU A 38 -7.868 -15.842 2.541 1.00 60.43 O ATOM 531 CB LEU A 38 -7.109 -13.771 0.045 1.00 11.44 C ATOM 532 CG LEU A 38 -5.721 -13.967 0.667 1.00 20.02 C ATOM 533 CD1 LEU A 38 -4.983 -15.124 0.015 1.00 40.53 C ATOM 534 CD2 LEU A 38 -4.912 -12.689 0.601 1.00 61.22 C ATOM 0 H LEU A 38 -9.408 -13.625 -0.751 1.00 13.20 H new ATOM 0 HA LEU A 38 -7.831 -15.820 0.018 1.00 73.02 H new ATOM 0 HB2 LEU A 38 -6.997 -13.727 -1.038 1.00 11.44 H new ATOM 0 HB3 LEU A 38 -7.495 -12.803 0.365 1.00 11.44 H new ATOM 0 HG LEU A 38 -5.859 -14.219 1.719 1.00 20.02 H new ATOM 0 HD11 LEU A 38 -4.003 -15.237 0.478 1.00 40.53 H new ATOM 0 HD12 LEU A 38 -5.555 -16.042 0.148 1.00 40.53 H new ATOM 0 HD13 LEU A 38 -4.861 -14.924 -1.049 1.00 40.53 H new ATOM 0 HD21 LEU A 38 -3.932 -12.855 1.049 1.00 61.22 H new ATOM 0 HD22 LEU A 38 -4.789 -12.389 -0.440 1.00 61.22 H new ATOM 0 HD23 LEU A 38 -5.431 -11.901 1.147 1.00 61.22 H new ATOM 546 N LEU A 39 -8.974 -13.911 2.456 1.00 43.31 N ATOM 547 CA LEU A 39 -9.095 -13.808 3.901 1.00 23.24 C ATOM 548 C LEU A 39 -10.220 -14.657 4.460 1.00 43.01 C ATOM 549 O LEU A 39 -10.231 -14.968 5.660 1.00 54.44 O ATOM 550 CB LEU A 39 -9.260 -12.350 4.338 1.00 13.22 C ATOM 551 CG LEU A 39 -8.103 -11.401 4.005 1.00 35.35 C ATOM 552 CD1 LEU A 39 -8.394 -10.009 4.540 1.00 24.45 C ATOM 553 CD2 LEU A 39 -6.785 -11.927 4.566 1.00 25.30 C ATOM 0 H LEU A 39 -9.430 -13.160 1.937 1.00 43.31 H new ATOM 0 HA LEU A 39 -8.165 -14.198 4.314 1.00 23.24 H new ATOM 0 HB2 LEU A 39 -10.167 -11.957 3.879 1.00 13.22 H new ATOM 0 HB3 LEU A 39 -9.416 -12.333 5.417 1.00 13.22 H new ATOM 0 HG LEU A 39 -8.007 -11.346 2.921 1.00 35.35 H new ATOM 0 HD11 LEU A 39 -7.565 -9.345 4.297 1.00 24.45 H new ATOM 0 HD12 LEU A 39 -9.309 -9.628 4.086 1.00 24.45 H new ATOM 0 HD13 LEU A 39 -8.518 -10.054 5.622 1.00 24.45 H new ATOM 0 HD21 LEU A 39 -5.981 -11.235 4.316 1.00 25.30 H new ATOM 0 HD22 LEU A 39 -6.861 -12.018 5.650 1.00 25.30 H new ATOM 0 HD23 LEU A 39 -6.570 -12.904 4.134 1.00 25.30 H new ATOM 565 N GLY A 40 -11.138 -15.047 3.609 1.00 30.13 N ATOM 566 CA GLY A 40 -12.263 -15.844 4.042 1.00 23.44 C ATOM 567 C GLY A 40 -13.298 -14.989 4.735 1.00 12.12 C ATOM 568 O GLY A 40 -14.007 -15.450 5.638 1.00 24.43 O ATOM 0 H GLY A 40 -11.129 -14.826 2.613 1.00 30.13 H new ATOM 0 HA2 GLY A 40 -12.713 -16.341 3.183 1.00 23.44 H new ATOM 0 HA3 GLY A 40 -11.920 -16.626 4.719 1.00 23.44 H new ATOM 572 N VAL A 41 -13.361 -13.737 4.334 1.00 70.15 N ATOM 573 CA VAL A 41 -14.302 -12.772 4.890 1.00 34.24 C ATOM 574 C VAL A 41 -15.122 -12.189 3.739 1.00 41.24 C ATOM 575 O VAL A 41 -14.726 -12.344 2.591 1.00 54.25 O ATOM 576 CB VAL A 41 -13.572 -11.623 5.675 1.00 11.33 C ATOM 577 CG1 VAL A 41 -12.687 -12.178 6.785 1.00 31.53 C ATOM 578 CG2 VAL A 41 -12.780 -10.700 4.750 1.00 24.55 C ATOM 0 H VAL A 41 -12.758 -13.351 3.607 1.00 70.15 H new ATOM 0 HA VAL A 41 -14.949 -13.280 5.605 1.00 34.24 H new ATOM 0 HB VAL A 41 -14.352 -11.019 6.138 1.00 11.33 H new ATOM 0 HG11 VAL A 41 -12.198 -11.355 7.306 1.00 31.53 H new ATOM 0 HG12 VAL A 41 -13.298 -12.742 7.490 1.00 31.53 H new ATOM 0 HG13 VAL A 41 -11.931 -12.834 6.354 1.00 31.53 H new ATOM 0 HG21 VAL A 41 -12.294 -9.923 5.340 1.00 24.55 H new ATOM 0 HG22 VAL A 41 -12.024 -11.278 4.219 1.00 24.55 H new ATOM 0 HG23 VAL A 41 -13.456 -10.239 4.030 1.00 24.55 H new ATOM 588 N PRO A 42 -16.284 -11.565 3.992 1.00 21.43 N ATOM 589 CA PRO A 42 -17.076 -10.966 2.918 1.00 64.44 C ATOM 590 C PRO A 42 -16.386 -9.743 2.285 1.00 35.31 C ATOM 591 O PRO A 42 -15.552 -9.063 2.923 1.00 44.31 O ATOM 592 CB PRO A 42 -18.374 -10.541 3.604 1.00 43.14 C ATOM 593 CG PRO A 42 -18.024 -10.410 5.045 1.00 4.23 C ATOM 594 CD PRO A 42 -16.951 -11.429 5.308 1.00 64.41 C ATOM 0 HA PRO A 42 -17.225 -11.669 2.099 1.00 64.44 H new ATOM 0 HB2 PRO A 42 -18.743 -9.598 3.200 1.00 43.14 H new ATOM 0 HB3 PRO A 42 -19.160 -11.281 3.455 1.00 43.14 H new ATOM 0 HG2 PRO A 42 -17.670 -9.404 5.270 1.00 4.23 H new ATOM 0 HG3 PRO A 42 -18.895 -10.590 5.675 1.00 4.23 H new ATOM 0 HD2 PRO A 42 -16.257 -11.093 6.079 1.00 64.41 H new ATOM 0 HD3 PRO A 42 -17.370 -12.376 5.647 1.00 64.41 H new ATOM 602 N VAL A 43 -16.759 -9.455 1.050 1.00 45.44 N ATOM 603 CA VAL A 43 -16.202 -8.337 0.285 1.00 44.24 C ATOM 604 C VAL A 43 -16.479 -7.019 0.999 1.00 41.23 C ATOM 605 O VAL A 43 -15.626 -6.126 1.042 1.00 14.33 O ATOM 606 CB VAL A 43 -16.814 -8.276 -1.133 1.00 41.13 C ATOM 607 CG1 VAL A 43 -16.166 -7.177 -1.975 1.00 4.50 C ATOM 608 CG2 VAL A 43 -16.711 -9.622 -1.832 1.00 51.03 C ATOM 0 H VAL A 43 -17.462 -9.990 0.540 1.00 45.44 H new ATOM 0 HA VAL A 43 -15.127 -8.495 0.203 1.00 44.24 H new ATOM 0 HB VAL A 43 -17.870 -8.031 -1.022 1.00 41.13 H new ATOM 0 HG11 VAL A 43 -16.620 -7.162 -2.966 1.00 4.50 H new ATOM 0 HG12 VAL A 43 -16.317 -6.212 -1.492 1.00 4.50 H new ATOM 0 HG13 VAL A 43 -15.098 -7.372 -2.068 1.00 4.50 H new ATOM 0 HG21 VAL A 43 -17.149 -9.550 -2.827 1.00 51.03 H new ATOM 0 HG22 VAL A 43 -15.663 -9.909 -1.917 1.00 51.03 H new ATOM 0 HG23 VAL A 43 -17.247 -10.374 -1.253 1.00 51.03 H new ATOM 618 N SER A 44 -17.659 -6.927 1.588 1.00 3.35 N ATOM 619 CA SER A 44 -18.064 -5.753 2.313 1.00 32.14 C ATOM 620 C SER A 44 -17.107 -5.486 3.496 1.00 45.12 C ATOM 621 O SER A 44 -16.788 -4.327 3.786 1.00 44.25 O ATOM 622 CB SER A 44 -19.526 -5.898 2.777 1.00 33.12 C ATOM 623 OG SER A 44 -20.026 -4.697 3.361 1.00 42.45 O ATOM 0 H SER A 44 -18.358 -7.670 1.572 1.00 3.35 H new ATOM 0 HA SER A 44 -18.008 -4.888 1.653 1.00 32.14 H new ATOM 0 HB2 SER A 44 -20.150 -6.174 1.927 1.00 33.12 H new ATOM 0 HB3 SER A 44 -19.597 -6.709 3.501 1.00 33.12 H new ATOM 0 HG SER A 44 -20.956 -4.831 3.640 1.00 42.45 H new ATOM 629 N LYS A 45 -16.592 -6.559 4.127 1.00 71.00 N ATOM 630 CA LYS A 45 -15.673 -6.409 5.250 1.00 3.32 C ATOM 631 C LYS A 45 -14.352 -5.858 4.762 1.00 54.32 C ATOM 632 O LYS A 45 -13.752 -5.007 5.410 1.00 20.33 O ATOM 633 CB LYS A 45 -15.445 -7.721 6.006 1.00 24.01 C ATOM 634 CG LYS A 45 -14.602 -7.545 7.260 1.00 71.30 C ATOM 635 CD LYS A 45 -14.355 -8.858 7.969 1.00 34.02 C ATOM 636 CE LYS A 45 -13.571 -8.650 9.255 1.00 51.15 C ATOM 637 NZ LYS A 45 -14.298 -7.781 10.195 1.00 61.34 N ATOM 0 H LYS A 45 -16.799 -7.525 3.875 1.00 71.00 H new ATOM 0 HA LYS A 45 -16.132 -5.712 5.951 1.00 3.32 H new ATOM 0 HB2 LYS A 45 -16.410 -8.148 6.280 1.00 24.01 H new ATOM 0 HB3 LYS A 45 -14.956 -8.436 5.344 1.00 24.01 H new ATOM 0 HG2 LYS A 45 -13.647 -7.092 6.994 1.00 71.30 H new ATOM 0 HG3 LYS A 45 -15.103 -6.855 7.939 1.00 71.30 H new ATOM 0 HD2 LYS A 45 -15.308 -9.337 8.194 1.00 34.02 H new ATOM 0 HD3 LYS A 45 -13.807 -9.532 7.311 1.00 34.02 H new ATOM 0 HE2 LYS A 45 -13.378 -9.614 9.725 1.00 51.15 H new ATOM 0 HE3 LYS A 45 -12.602 -8.208 9.024 1.00 51.15 H new ATOM 0 HZ1 LYS A 45 -14.243 -8.183 11.153 1.00 61.34 H new ATOM 0 HZ2 LYS A 45 -13.871 -6.833 10.192 1.00 61.34 H new ATOM 0 HZ3 LYS A 45 -15.294 -7.713 9.905 1.00 61.34 H new ATOM 651 N VAL A 46 -13.920 -6.321 3.600 1.00 23.33 N ATOM 652 CA VAL A 46 -12.675 -5.842 3.002 1.00 52.40 C ATOM 653 C VAL A 46 -12.782 -4.338 2.730 1.00 65.11 C ATOM 654 O VAL A 46 -11.849 -3.565 3.006 1.00 45.23 O ATOM 655 CB VAL A 46 -12.349 -6.586 1.685 1.00 14.24 C ATOM 656 CG1 VAL A 46 -11.032 -6.100 1.108 1.00 52.31 C ATOM 657 CG2 VAL A 46 -12.299 -8.084 1.919 1.00 45.54 C ATOM 0 H VAL A 46 -14.409 -7.027 3.050 1.00 23.33 H new ATOM 0 HA VAL A 46 -11.867 -6.039 3.706 1.00 52.40 H new ATOM 0 HB VAL A 46 -13.141 -6.372 0.967 1.00 14.24 H new ATOM 0 HG11 VAL A 46 -10.821 -6.635 0.182 1.00 52.31 H new ATOM 0 HG12 VAL A 46 -11.097 -5.032 0.903 1.00 52.31 H new ATOM 0 HG13 VAL A 46 -10.231 -6.284 1.824 1.00 52.31 H new ATOM 0 HG21 VAL A 46 -12.069 -8.591 0.982 1.00 45.54 H new ATOM 0 HG22 VAL A 46 -11.527 -8.312 2.654 1.00 45.54 H new ATOM 0 HG23 VAL A 46 -13.265 -8.427 2.289 1.00 45.54 H new ATOM 667 N ALA A 47 -13.949 -3.928 2.244 1.00 5.22 N ATOM 668 CA ALA A 47 -14.238 -2.529 1.992 1.00 12.01 C ATOM 669 C ALA A 47 -14.169 -1.722 3.297 1.00 15.12 C ATOM 670 O ALA A 47 -13.687 -0.593 3.313 1.00 33.34 O ATOM 671 CB ALA A 47 -15.605 -2.379 1.331 1.00 73.53 C ATOM 0 H ALA A 47 -14.717 -4.559 2.015 1.00 5.22 H new ATOM 0 HA ALA A 47 -13.485 -2.135 1.310 1.00 12.01 H new ATOM 0 HB1 ALA A 47 -15.807 -1.324 1.148 1.00 73.53 H new ATOM 0 HB2 ALA A 47 -15.613 -2.919 0.384 1.00 73.53 H new ATOM 0 HB3 ALA A 47 -16.373 -2.787 1.988 1.00 73.53 H new ATOM 677 N GLN A 48 -14.618 -2.330 4.392 1.00 60.45 N ATOM 678 CA GLN A 48 -14.596 -1.684 5.707 1.00 33.21 C ATOM 679 C GLN A 48 -13.160 -1.448 6.156 1.00 22.44 C ATOM 680 O GLN A 48 -12.836 -0.370 6.648 1.00 55.24 O ATOM 681 CB GLN A 48 -15.305 -2.528 6.771 1.00 25.30 C ATOM 682 CG GLN A 48 -16.775 -2.787 6.525 1.00 21.14 C ATOM 683 CD GLN A 48 -17.378 -3.657 7.606 1.00 51.23 C ATOM 684 OE1 GLN A 48 -17.361 -4.875 7.518 1.00 74.21 O ATOM 685 NE2 GLN A 48 -17.933 -3.052 8.614 1.00 53.42 N ATOM 0 H GLN A 48 -15.004 -3.274 4.397 1.00 60.45 H new ATOM 0 HA GLN A 48 -15.123 -0.736 5.603 1.00 33.21 H new ATOM 0 HB2 GLN A 48 -14.793 -3.487 6.849 1.00 25.30 H new ATOM 0 HB3 GLN A 48 -15.198 -2.030 7.735 1.00 25.30 H new ATOM 0 HG2 GLN A 48 -17.309 -1.838 6.481 1.00 21.14 H new ATOM 0 HG3 GLN A 48 -16.902 -3.270 5.556 1.00 21.14 H new ATOM 0 HE21 GLN A 48 -17.932 -2.033 8.661 1.00 53.42 H new ATOM 0 HE22 GLN A 48 -18.369 -3.596 9.358 1.00 53.42 H new ATOM 694 N GLN A 49 -12.311 -2.463 5.964 1.00 51.01 N ATOM 695 CA GLN A 49 -10.894 -2.411 6.368 1.00 73.34 C ATOM 696 C GLN A 49 -10.176 -1.303 5.621 1.00 65.23 C ATOM 697 O GLN A 49 -9.405 -0.520 6.204 1.00 45.21 O ATOM 698 CB GLN A 49 -10.192 -3.736 6.053 1.00 25.30 C ATOM 699 CG GLN A 49 -10.846 -4.985 6.626 1.00 64.21 C ATOM 700 CD GLN A 49 -10.901 -5.041 8.147 1.00 74.30 C ATOM 701 OE1 GLN A 49 -10.995 -4.031 8.833 1.00 4.13 O ATOM 702 NE2 GLN A 49 -10.852 -6.226 8.681 1.00 42.01 N ATOM 0 H GLN A 49 -12.582 -3.343 5.526 1.00 51.01 H new ATOM 0 HA GLN A 49 -10.861 -2.224 7.441 1.00 73.34 H new ATOM 0 HB2 GLN A 49 -10.131 -3.845 4.970 1.00 25.30 H new ATOM 0 HB3 GLN A 49 -9.169 -3.681 6.426 1.00 25.30 H new ATOM 0 HG2 GLN A 49 -11.862 -5.056 6.238 1.00 64.21 H new ATOM 0 HG3 GLN A 49 -10.305 -5.859 6.264 1.00 64.21 H new ATOM 0 HE21 GLN A 49 -10.774 -7.051 8.086 1.00 42.01 H new ATOM 0 HE22 GLN A 49 -10.892 -6.331 9.695 1.00 42.01 H new ATOM 711 N LEU A 50 -10.469 -1.227 4.339 1.00 65.31 N ATOM 712 CA LEU A 50 -9.877 -0.239 3.445 1.00 70.10 C ATOM 713 C LEU A 50 -10.247 1.176 3.896 1.00 21.22 C ATOM 714 O LEU A 50 -9.414 2.082 3.901 1.00 22.22 O ATOM 715 CB LEU A 50 -10.382 -0.489 2.011 1.00 35.33 C ATOM 716 CG LEU A 50 -9.866 0.452 0.917 1.00 51.45 C ATOM 717 CD1 LEU A 50 -8.366 0.322 0.757 1.00 35.13 C ATOM 718 CD2 LEU A 50 -10.570 0.172 -0.401 1.00 73.33 C ATOM 0 H LEU A 50 -11.130 -1.853 3.879 1.00 65.31 H new ATOM 0 HA LEU A 50 -8.791 -0.333 3.470 1.00 70.10 H new ATOM 0 HB2 LEU A 50 -10.118 -1.509 1.732 1.00 35.33 H new ATOM 0 HB3 LEU A 50 -11.470 -0.432 2.021 1.00 35.33 H new ATOM 0 HG LEU A 50 -10.087 1.476 1.217 1.00 51.45 H new ATOM 0 HD11 LEU A 50 -8.023 1.000 -0.025 1.00 35.13 H new ATOM 0 HD12 LEU A 50 -7.876 0.576 1.697 1.00 35.13 H new ATOM 0 HD13 LEU A 50 -8.117 -0.703 0.484 1.00 35.13 H new ATOM 0 HD21 LEU A 50 -10.192 0.849 -1.167 1.00 73.33 H new ATOM 0 HD22 LEU A 50 -10.381 -0.858 -0.702 1.00 73.33 H new ATOM 0 HD23 LEU A 50 -11.643 0.324 -0.280 1.00 73.33 H new ATOM 730 N ARG A 51 -11.485 1.340 4.303 1.00 30.23 N ATOM 731 CA ARG A 51 -12.000 2.622 4.772 1.00 1.03 C ATOM 732 C ARG A 51 -11.444 3.032 6.140 1.00 24.34 C ATOM 733 O ARG A 51 -11.489 4.217 6.501 1.00 62.34 O ATOM 734 CB ARG A 51 -13.517 2.634 4.763 1.00 50.33 C ATOM 735 CG ARG A 51 -14.103 2.522 3.373 1.00 72.21 C ATOM 736 CD ARG A 51 -15.609 2.456 3.408 1.00 75.13 C ATOM 737 NE ARG A 51 -16.169 2.324 2.067 1.00 14.20 N ATOM 738 CZ ARG A 51 -17.465 2.220 1.780 1.00 1.02 C ATOM 739 NH1 ARG A 51 -18.376 2.206 2.753 1.00 72.23 N ATOM 740 NH2 ARG A 51 -17.846 2.126 0.525 1.00 51.45 N ATOM 0 H ARG A 51 -12.173 0.588 4.321 1.00 30.23 H new ATOM 0 HA ARG A 51 -11.646 3.374 4.067 1.00 1.03 H new ATOM 0 HB2 ARG A 51 -13.885 1.809 5.373 1.00 50.33 H new ATOM 0 HB3 ARG A 51 -13.870 3.555 5.226 1.00 50.33 H new ATOM 0 HG2 ARG A 51 -13.790 3.378 2.776 1.00 72.21 H new ATOM 0 HG3 ARG A 51 -13.711 1.631 2.883 1.00 72.21 H new ATOM 0 HD2 ARG A 51 -15.923 1.610 4.020 1.00 75.13 H new ATOM 0 HD3 ARG A 51 -16.003 3.355 3.881 1.00 75.13 H new ATOM 0 HE ARG A 51 -15.514 2.310 1.285 1.00 14.20 H new ATOM 0 HH11 ARG A 51 -18.083 2.275 3.727 1.00 72.23 H new ATOM 0 HH12 ARG A 51 -19.367 2.126 2.523 1.00 72.23 H new ATOM 0 HH21 ARG A 51 -17.150 2.133 -0.221 1.00 51.45 H new ATOM 0 HH22 ARG A 51 -18.837 2.046 0.298 1.00 51.45 H new ATOM 754 N GLU A 52 -10.960 2.061 6.910 1.00 50.04 N ATOM 755 CA GLU A 52 -10.384 2.345 8.224 1.00 70.21 C ATOM 756 C GLU A 52 -8.910 2.659 8.120 1.00 20.12 C ATOM 757 O GLU A 52 -8.305 3.145 9.081 1.00 4.55 O ATOM 758 CB GLU A 52 -10.545 1.155 9.163 1.00 4.51 C ATOM 759 CG GLU A 52 -11.963 0.827 9.525 1.00 14.31 C ATOM 760 CD GLU A 52 -12.660 1.973 10.208 1.00 63.42 C ATOM 761 OE1 GLU A 52 -12.299 2.305 11.363 1.00 35.44 O ATOM 762 OE2 GLU A 52 -13.585 2.560 9.614 1.00 35.55 O ATOM 0 H GLU A 52 -10.954 1.075 6.650 1.00 50.04 H new ATOM 0 HA GLU A 52 -10.920 3.208 8.619 1.00 70.21 H new ATOM 0 HB2 GLU A 52 -10.092 0.279 8.698 1.00 4.51 H new ATOM 0 HB3 GLU A 52 -9.988 1.354 10.078 1.00 4.51 H new ATOM 0 HG2 GLU A 52 -12.512 0.557 8.623 1.00 14.31 H new ATOM 0 HG3 GLU A 52 -11.976 -0.045 10.179 1.00 14.31 H new ATOM 769 N GLY A 53 -8.338 2.399 6.968 1.00 33.43 N ATOM 770 CA GLY A 53 -6.917 2.571 6.808 1.00 13.35 C ATOM 771 C GLY A 53 -6.179 1.426 7.447 1.00 4.21 C ATOM 772 O GLY A 53 -5.088 1.589 7.998 1.00 30.43 O ATOM 0 H GLY A 53 -8.830 2.071 6.137 1.00 33.43 H new ATOM 0 HA2 GLY A 53 -6.667 2.628 5.748 1.00 13.35 H new ATOM 0 HA3 GLY A 53 -6.604 3.512 7.260 1.00 13.35 H new ATOM 776 N HIS A 54 -6.801 0.270 7.410 1.00 1.22 N ATOM 777 CA HIS A 54 -6.211 -0.932 7.959 1.00 23.35 C ATOM 778 C HIS A 54 -5.490 -1.648 6.816 1.00 53.12 C ATOM 779 O HIS A 54 -4.670 -2.537 7.018 1.00 64.44 O ATOM 780 CB HIS A 54 -7.326 -1.810 8.549 1.00 74.10 C ATOM 781 CG HIS A 54 -6.875 -2.802 9.581 1.00 41.31 C ATOM 782 ND1 HIS A 54 -7.128 -2.656 10.928 1.00 61.13 N ATOM 783 CD2 HIS A 54 -6.217 -3.978 9.453 1.00 4.21 C ATOM 784 CE1 HIS A 54 -6.638 -3.711 11.562 1.00 31.33 C ATOM 785 NE2 HIS A 54 -6.067 -4.557 10.715 1.00 71.13 N ATOM 0 H HIS A 54 -7.726 0.135 7.001 1.00 1.22 H new ATOM 0 HA HIS A 54 -5.501 -0.708 8.756 1.00 23.35 H new ATOM 0 HB2 HIS A 54 -8.080 -1.162 8.995 1.00 74.10 H new ATOM 0 HB3 HIS A 54 -7.811 -2.350 7.736 1.00 74.10 H new ATOM 0 HD2 HIS A 54 -5.864 -4.401 8.524 1.00 4.21 H new ATOM 0 HE1 HIS A 54 -6.696 -3.862 12.630 1.00 31.33 H new ATOM 0 HE2 HIS A 54 -5.614 -5.443 10.938 1.00 71.13 H new ATOM 793 N LEU A 55 -5.804 -1.197 5.620 1.00 20.51 N ATOM 794 CA LEU A 55 -5.261 -1.688 4.390 1.00 5.11 C ATOM 795 C LEU A 55 -5.439 -0.552 3.394 1.00 40.00 C ATOM 796 O LEU A 55 -6.335 0.275 3.586 1.00 75.51 O ATOM 797 CB LEU A 55 -6.055 -2.927 3.935 1.00 65.42 C ATOM 798 CG LEU A 55 -5.553 -3.655 2.683 1.00 43.41 C ATOM 799 CD1 LEU A 55 -4.163 -4.236 2.913 1.00 23.12 C ATOM 800 CD2 LEU A 55 -6.537 -4.744 2.280 1.00 42.12 C ATOM 0 H LEU A 55 -6.477 -0.443 5.482 1.00 20.51 H new ATOM 0 HA LEU A 55 -4.216 -1.983 4.484 1.00 5.11 H new ATOM 0 HB2 LEU A 55 -6.070 -3.641 4.759 1.00 65.42 H new ATOM 0 HB3 LEU A 55 -7.087 -2.622 3.759 1.00 65.42 H new ATOM 0 HG LEU A 55 -5.481 -2.934 1.868 1.00 43.41 H new ATOM 0 HD11 LEU A 55 -3.829 -4.748 2.010 1.00 23.12 H new ATOM 0 HD12 LEU A 55 -3.468 -3.432 3.153 1.00 23.12 H new ATOM 0 HD13 LEU A 55 -4.197 -4.945 3.740 1.00 23.12 H new ATOM 0 HD21 LEU A 55 -6.170 -5.254 1.390 1.00 42.12 H new ATOM 0 HD22 LEU A 55 -6.639 -5.462 3.094 1.00 42.12 H new ATOM 0 HD23 LEU A 55 -7.508 -4.297 2.068 1.00 42.12 H new ATOM 812 N VAL A 56 -4.600 -0.471 2.385 1.00 45.00 N ATOM 813 CA VAL A 56 -4.723 0.584 1.402 1.00 22.10 C ATOM 814 C VAL A 56 -4.556 -0.010 0.006 1.00 65.11 C ATOM 815 O VAL A 56 -3.896 -1.045 -0.163 1.00 35.14 O ATOM 816 CB VAL A 56 -3.703 1.742 1.658 1.00 34.20 C ATOM 817 CG1 VAL A 56 -2.264 1.301 1.452 1.00 60.14 C ATOM 818 CG2 VAL A 56 -4.032 2.985 0.841 1.00 53.45 C ATOM 0 H VAL A 56 -3.829 -1.119 2.223 1.00 45.00 H new ATOM 0 HA VAL A 56 -5.715 1.027 1.486 1.00 22.10 H new ATOM 0 HB VAL A 56 -3.803 2.012 2.709 1.00 34.20 H new ATOM 0 HG11 VAL A 56 -1.595 2.141 1.642 1.00 60.14 H new ATOM 0 HG12 VAL A 56 -2.030 0.488 2.140 1.00 60.14 H new ATOM 0 HG13 VAL A 56 -2.132 0.957 0.426 1.00 60.14 H new ATOM 0 HG21 VAL A 56 -3.298 3.763 1.051 1.00 53.45 H new ATOM 0 HG22 VAL A 56 -4.008 2.740 -0.221 1.00 53.45 H new ATOM 0 HG23 VAL A 56 -5.026 3.343 1.108 1.00 53.45 H new ATOM 828 N ALA A 57 -5.167 0.617 -0.961 1.00 64.32 N ATOM 829 CA ALA A 57 -5.159 0.143 -2.317 1.00 61.54 C ATOM 830 C ALA A 57 -4.700 1.238 -3.262 1.00 62.21 C ATOM 831 O ALA A 57 -4.718 2.420 -2.909 1.00 61.52 O ATOM 832 CB ALA A 57 -6.552 -0.327 -2.702 1.00 4.21 C ATOM 0 H ALA A 57 -5.691 1.482 -0.828 1.00 64.32 H new ATOM 0 HA ALA A 57 -4.462 -0.692 -2.393 1.00 61.54 H new ATOM 0 HB1 ALA A 57 -6.543 -0.686 -3.731 1.00 4.21 H new ATOM 0 HB2 ALA A 57 -6.860 -1.135 -2.038 1.00 4.21 H new ATOM 0 HB3 ALA A 57 -7.253 0.503 -2.613 1.00 4.21 H new ATOM 838 N VAL A 58 -4.307 0.841 -4.443 1.00 70.30 N ATOM 839 CA VAL A 58 -3.868 1.748 -5.484 1.00 70.13 C ATOM 840 C VAL A 58 -4.650 1.483 -6.743 1.00 74.10 C ATOM 841 O VAL A 58 -5.329 0.471 -6.846 1.00 10.44 O ATOM 842 CB VAL A 58 -2.354 1.655 -5.784 1.00 15.12 C ATOM 843 CG1 VAL A 58 -1.563 2.325 -4.688 1.00 54.21 C ATOM 844 CG2 VAL A 58 -1.917 0.198 -5.941 1.00 54.30 C ATOM 0 H VAL A 58 -4.280 -0.140 -4.719 1.00 70.30 H new ATOM 0 HA VAL A 58 -4.052 2.758 -5.119 1.00 70.13 H new ATOM 0 HB VAL A 58 -2.160 2.171 -6.724 1.00 15.12 H new ATOM 0 HG11 VAL A 58 -0.499 2.253 -4.911 1.00 54.21 H new ATOM 0 HG12 VAL A 58 -1.849 3.375 -4.622 1.00 54.21 H new ATOM 0 HG13 VAL A 58 -1.769 1.833 -3.738 1.00 54.21 H new ATOM 0 HG21 VAL A 58 -0.848 0.159 -6.151 1.00 54.30 H new ATOM 0 HG22 VAL A 58 -2.125 -0.346 -5.019 1.00 54.30 H new ATOM 0 HG23 VAL A 58 -2.466 -0.260 -6.764 1.00 54.30 H new ATOM 854 N ARG A 59 -4.580 2.374 -7.677 1.00 72.43 N ATOM 855 CA ARG A 59 -5.355 2.245 -8.877 1.00 31.55 C ATOM 856 C ARG A 59 -4.448 2.193 -10.099 1.00 35.10 C ATOM 857 O ARG A 59 -3.522 3.000 -10.232 1.00 34.21 O ATOM 858 CB ARG A 59 -6.328 3.422 -8.967 1.00 54.21 C ATOM 859 CG ARG A 59 -7.265 3.402 -10.157 1.00 63.31 C ATOM 860 CD ARG A 59 -8.132 4.646 -10.171 1.00 72.04 C ATOM 861 NE ARG A 59 -7.316 5.871 -10.190 1.00 3.41 N ATOM 862 CZ ARG A 59 -7.759 7.101 -9.889 1.00 43.21 C ATOM 863 NH1 ARG A 59 -9.033 7.293 -9.568 1.00 2.20 N ATOM 864 NH2 ARG A 59 -6.918 8.132 -9.908 1.00 34.22 N ATOM 0 H ARG A 59 -3.991 3.206 -7.636 1.00 72.43 H new ATOM 0 HA ARG A 59 -5.920 1.313 -8.849 1.00 31.55 H new ATOM 0 HB2 ARG A 59 -6.926 3.447 -8.056 1.00 54.21 H new ATOM 0 HB3 ARG A 59 -5.751 4.347 -8.996 1.00 54.21 H new ATOM 0 HG2 ARG A 59 -6.689 3.343 -11.080 1.00 63.31 H new ATOM 0 HG3 ARG A 59 -7.895 2.513 -10.117 1.00 63.31 H new ATOM 0 HD2 ARG A 59 -8.783 4.627 -11.045 1.00 72.04 H new ATOM 0 HD3 ARG A 59 -8.778 4.651 -9.293 1.00 72.04 H new ATOM 0 HE ARG A 59 -6.335 5.777 -10.453 1.00 3.41 H new ATOM 0 HH11 ARG A 59 -9.679 6.504 -9.550 1.00 2.20 H new ATOM 0 HH12 ARG A 59 -9.366 8.230 -9.340 1.00 2.20 H new ATOM 0 HH21 ARG A 59 -5.938 7.986 -10.151 1.00 34.22 H new ATOM 0 HH22 ARG A 59 -7.253 9.068 -9.679 1.00 34.22 H new ATOM 878 N ARG A 60 -4.692 1.231 -10.957 1.00 62.22 N ATOM 879 CA ARG A 60 -3.978 1.103 -12.207 1.00 43.11 C ATOM 880 C ARG A 60 -4.912 0.521 -13.236 1.00 24.42 C ATOM 881 O ARG A 60 -5.731 -0.344 -12.903 1.00 3.43 O ATOM 882 CB ARG A 60 -2.702 0.254 -12.085 1.00 53.53 C ATOM 883 CG ARG A 60 -2.907 -1.227 -11.790 1.00 25.22 C ATOM 884 CD ARG A 60 -1.568 -1.931 -11.773 1.00 22.31 C ATOM 885 NE ARG A 60 -1.666 -3.387 -11.597 1.00 71.33 N ATOM 886 CZ ARG A 60 -0.667 -4.146 -11.122 1.00 54.01 C ATOM 887 NH1 ARG A 60 0.390 -3.573 -10.568 1.00 0.43 N ATOM 888 NH2 ARG A 60 -0.759 -5.476 -11.142 1.00 22.14 N ATOM 0 H ARG A 60 -5.397 0.509 -10.807 1.00 62.22 H new ATOM 0 HA ARG A 60 -3.646 2.095 -12.512 1.00 43.11 H new ATOM 0 HB2 ARG A 60 -2.140 0.344 -13.015 1.00 53.53 H new ATOM 0 HB3 ARG A 60 -2.082 0.678 -11.295 1.00 53.53 H new ATOM 0 HG2 ARG A 60 -3.407 -1.351 -10.829 1.00 25.22 H new ATOM 0 HG3 ARG A 60 -3.554 -1.673 -12.546 1.00 25.22 H new ATOM 0 HD2 ARG A 60 -1.046 -1.722 -12.707 1.00 22.31 H new ATOM 0 HD3 ARG A 60 -0.960 -1.517 -10.968 1.00 22.31 H new ATOM 0 HE ARG A 60 -2.541 -3.845 -11.850 1.00 71.33 H new ATOM 0 HH11 ARG A 60 0.444 -2.556 -10.503 1.00 0.43 H new ATOM 0 HH12 ARG A 60 1.151 -4.148 -10.206 1.00 0.43 H new ATOM 0 HH21 ARG A 60 -1.594 -5.924 -11.521 1.00 22.14 H new ATOM 0 HH22 ARG A 60 0.005 -6.046 -10.779 1.00 22.14 H new ATOM 902 N ALA A 61 -4.857 1.055 -14.450 1.00 72.04 N ATOM 903 CA ALA A 61 -5.692 0.616 -15.582 1.00 45.42 C ATOM 904 C ALA A 61 -7.186 0.832 -15.300 1.00 32.13 C ATOM 905 O ALA A 61 -8.056 0.275 -15.981 1.00 25.43 O ATOM 906 CB ALA A 61 -5.402 -0.840 -15.949 1.00 43.13 C ATOM 0 H ALA A 61 -4.224 1.818 -14.688 1.00 72.04 H new ATOM 0 HA ALA A 61 -5.431 1.235 -16.440 1.00 45.42 H new ATOM 0 HB1 ALA A 61 -6.033 -1.136 -16.787 1.00 43.13 H new ATOM 0 HB2 ALA A 61 -4.354 -0.943 -16.229 1.00 43.13 H new ATOM 0 HB3 ALA A 61 -5.613 -1.480 -15.092 1.00 43.13 H new ATOM 912 N GLY A 62 -7.473 1.665 -14.326 1.00 42.01 N ATOM 913 CA GLY A 62 -8.828 1.954 -13.949 1.00 3.11 C ATOM 914 C GLY A 62 -9.316 1.056 -12.838 1.00 25.52 C ATOM 915 O GLY A 62 -10.417 1.228 -12.341 1.00 22.43 O ATOM 0 H GLY A 62 -6.770 2.159 -13.776 1.00 42.01 H new ATOM 0 HA2 GLY A 62 -8.901 2.994 -13.631 1.00 3.11 H new ATOM 0 HA3 GLY A 62 -9.477 1.840 -14.817 1.00 3.11 H new ATOM 919 N GLY A 63 -8.498 0.111 -12.437 1.00 20.42 N ATOM 920 CA GLY A 63 -8.890 -0.816 -11.414 1.00 74.03 C ATOM 921 C GLY A 63 -8.221 -0.512 -10.109 1.00 74.21 C ATOM 922 O GLY A 63 -7.063 -0.074 -10.085 1.00 71.43 O ATOM 0 H GLY A 63 -7.558 -0.032 -12.807 1.00 20.42 H new ATOM 0 HA2 GLY A 63 -9.972 -0.781 -11.286 1.00 74.03 H new ATOM 0 HA3 GLY A 63 -8.638 -1.830 -11.725 1.00 74.03 H new ATOM 926 N VAL A 64 -8.929 -0.724 -9.032 1.00 52.54 N ATOM 927 CA VAL A 64 -8.397 -0.494 -7.716 1.00 1.13 C ATOM 928 C VAL A 64 -7.923 -1.828 -7.191 1.00 65.22 C ATOM 929 O VAL A 64 -8.709 -2.771 -7.073 1.00 51.01 O ATOM 930 CB VAL A 64 -9.481 0.097 -6.767 1.00 42.13 C ATOM 931 CG1 VAL A 64 -8.914 0.377 -5.384 1.00 31.21 C ATOM 932 CG2 VAL A 64 -10.080 1.365 -7.359 1.00 33.02 C ATOM 0 H VAL A 64 -9.892 -1.061 -9.043 1.00 52.54 H new ATOM 0 HA VAL A 64 -7.581 0.227 -7.762 1.00 1.13 H new ATOM 0 HB VAL A 64 -10.270 -0.648 -6.663 1.00 42.13 H new ATOM 0 HG11 VAL A 64 -9.696 0.789 -4.747 1.00 31.21 H new ATOM 0 HG12 VAL A 64 -8.542 -0.550 -4.949 1.00 31.21 H new ATOM 0 HG13 VAL A 64 -8.097 1.094 -5.464 1.00 31.21 H new ATOM 0 HG21 VAL A 64 -10.835 1.762 -6.680 1.00 33.02 H new ATOM 0 HG22 VAL A 64 -9.294 2.107 -7.501 1.00 33.02 H new ATOM 0 HG23 VAL A 64 -10.540 1.136 -8.320 1.00 33.02 H new ATOM 942 N VAL A 65 -6.665 -1.909 -6.893 1.00 71.02 N ATOM 943 CA VAL A 65 -6.044 -3.149 -6.509 1.00 2.05 C ATOM 944 C VAL A 65 -5.169 -2.984 -5.284 1.00 4.21 C ATOM 945 O VAL A 65 -4.675 -1.894 -4.991 1.00 72.21 O ATOM 946 CB VAL A 65 -5.196 -3.752 -7.669 1.00 34.25 C ATOM 947 CG1 VAL A 65 -6.086 -4.275 -8.789 1.00 63.54 C ATOM 948 CG2 VAL A 65 -4.212 -2.721 -8.225 1.00 22.32 C ATOM 0 H VAL A 65 -6.029 -1.112 -6.908 1.00 71.02 H new ATOM 0 HA VAL A 65 -6.856 -3.836 -6.271 1.00 2.05 H new ATOM 0 HB VAL A 65 -4.631 -4.588 -7.256 1.00 34.25 H new ATOM 0 HG11 VAL A 65 -5.465 -4.689 -9.584 1.00 63.54 H new ATOM 0 HG12 VAL A 65 -6.743 -5.052 -8.399 1.00 63.54 H new ATOM 0 HG13 VAL A 65 -6.688 -3.458 -9.187 1.00 63.54 H new ATOM 0 HG21 VAL A 65 -3.634 -3.169 -9.033 1.00 22.32 H new ATOM 0 HG22 VAL A 65 -4.763 -1.861 -8.606 1.00 22.32 H new ATOM 0 HG23 VAL A 65 -3.538 -2.397 -7.432 1.00 22.32 H new ATOM 958 N ILE A 66 -4.998 -4.059 -4.577 1.00 65.32 N ATOM 959 CA ILE A 66 -4.185 -4.107 -3.392 1.00 34.22 C ATOM 960 C ILE A 66 -2.987 -5.006 -3.693 1.00 52.34 C ATOM 961 O ILE A 66 -3.171 -6.151 -4.081 1.00 61.53 O ATOM 962 CB ILE A 66 -4.946 -4.712 -2.143 1.00 3.21 C ATOM 963 CG1 ILE A 66 -6.241 -3.942 -1.772 1.00 3.52 C ATOM 964 CG2 ILE A 66 -4.025 -4.770 -0.930 1.00 24.33 C ATOM 965 CD1 ILE A 66 -7.432 -4.165 -2.695 1.00 4.23 C ATOM 0 H ILE A 66 -5.430 -4.953 -4.811 1.00 65.32 H new ATOM 0 HA ILE A 66 -3.900 -3.086 -3.139 1.00 34.22 H new ATOM 0 HB ILE A 66 -5.246 -5.718 -2.437 1.00 3.21 H new ATOM 0 HG12 ILE A 66 -6.532 -4.224 -0.760 1.00 3.52 H new ATOM 0 HG13 ILE A 66 -6.015 -2.876 -1.753 1.00 3.52 H new ATOM 0 HG21 ILE A 66 -4.566 -5.189 -0.082 1.00 24.33 H new ATOM 0 HG22 ILE A 66 -3.164 -5.398 -1.157 1.00 24.33 H new ATOM 0 HG23 ILE A 66 -3.685 -3.764 -0.683 1.00 24.33 H new ATOM 0 HD11 ILE A 66 -8.281 -3.579 -2.342 1.00 4.23 H new ATOM 0 HD12 ILE A 66 -7.172 -3.853 -3.707 1.00 4.23 H new ATOM 0 HD13 ILE A 66 -7.697 -5.222 -2.698 1.00 4.23 H new ATOM 977 N PRO A 67 -1.763 -4.497 -3.589 1.00 63.03 N ATOM 978 CA PRO A 67 -0.547 -5.301 -3.796 1.00 44.32 C ATOM 979 C PRO A 67 -0.527 -6.569 -2.909 1.00 21.21 C ATOM 980 O PRO A 67 -0.713 -6.479 -1.696 1.00 22.44 O ATOM 981 CB PRO A 67 0.560 -4.350 -3.347 1.00 73.11 C ATOM 982 CG PRO A 67 0.017 -2.996 -3.616 1.00 31.24 C ATOM 983 CD PRO A 67 -1.444 -3.085 -3.291 1.00 3.24 C ATOM 0 HA PRO A 67 -0.457 -5.657 -4.822 1.00 44.32 H new ATOM 0 HB2 PRO A 67 0.792 -4.482 -2.290 1.00 73.11 H new ATOM 0 HB3 PRO A 67 1.483 -4.525 -3.900 1.00 73.11 H new ATOM 0 HG2 PRO A 67 0.512 -2.244 -3.001 1.00 31.24 H new ATOM 0 HG3 PRO A 67 0.172 -2.709 -4.656 1.00 31.24 H new ATOM 0 HD2 PRO A 67 -1.642 -2.838 -2.248 1.00 3.24 H new ATOM 0 HD3 PRO A 67 -2.036 -2.400 -3.899 1.00 3.24 H new ATOM 991 N GLN A 68 -0.293 -7.746 -3.525 1.00 12.35 N ATOM 992 CA GLN A 68 -0.225 -9.026 -2.800 1.00 31.32 C ATOM 993 C GLN A 68 0.837 -9.016 -1.701 1.00 53.12 C ATOM 994 O GLN A 68 0.720 -9.716 -0.705 1.00 5.13 O ATOM 995 CB GLN A 68 0.003 -10.161 -3.797 1.00 53.22 C ATOM 996 CG GLN A 68 0.279 -11.536 -3.197 1.00 53.10 C ATOM 997 CD GLN A 68 0.212 -12.630 -4.233 1.00 50.10 C ATOM 998 OE1 GLN A 68 -0.694 -12.490 -5.171 1.00 12.12 O flip ATOM 999 NE2 GLN A 68 0.932 -13.624 -4.161 1.00 65.00 N flip ATOM 0 H GLN A 68 -0.147 -7.833 -4.531 1.00 12.35 H new ATOM 0 HA GLN A 68 -1.176 -9.184 -2.292 1.00 31.32 H new ATOM 0 HB2 GLN A 68 -0.876 -10.236 -4.438 1.00 53.22 H new ATOM 0 HB3 GLN A 68 0.843 -9.891 -4.438 1.00 53.22 H new ATOM 0 HG2 GLN A 68 1.265 -11.537 -2.732 1.00 53.10 H new ATOM 0 HG3 GLN A 68 -0.445 -11.739 -2.408 1.00 53.10 H new ATOM 0 HE21 GLN A 68 1.626 -13.698 -3.417 1.00 65.00 H new ATOM 0 HE22 GLN A 68 0.835 -14.374 -4.845 1.00 65.00 H new ATOM 1008 N VAL A 69 1.828 -8.180 -1.875 1.00 32.41 N ATOM 1009 CA VAL A 69 2.935 -8.044 -0.933 1.00 22.12 C ATOM 1010 C VAL A 69 2.505 -7.363 0.391 1.00 32.24 C ATOM 1011 O VAL A 69 3.296 -7.234 1.312 1.00 10.43 O ATOM 1012 CB VAL A 69 4.103 -7.271 -1.573 1.00 73.31 C ATOM 1013 CG1 VAL A 69 4.662 -8.041 -2.761 1.00 2.41 C ATOM 1014 CG2 VAL A 69 3.646 -5.889 -2.011 1.00 12.42 C ATOM 0 H VAL A 69 1.900 -7.561 -2.683 1.00 32.41 H new ATOM 0 HA VAL A 69 3.265 -9.053 -0.687 1.00 22.12 H new ATOM 0 HB VAL A 69 4.891 -7.159 -0.829 1.00 73.31 H new ATOM 0 HG11 VAL A 69 5.487 -7.481 -3.202 1.00 2.41 H new ATOM 0 HG12 VAL A 69 5.022 -9.014 -2.427 1.00 2.41 H new ATOM 0 HG13 VAL A 69 3.878 -8.180 -3.506 1.00 2.41 H new ATOM 0 HG21 VAL A 69 4.483 -5.355 -2.461 1.00 12.42 H new ATOM 0 HG22 VAL A 69 2.842 -5.986 -2.741 1.00 12.42 H new ATOM 0 HG23 VAL A 69 3.285 -5.334 -1.145 1.00 12.42 H new ATOM 1024 N PHE A 70 1.248 -6.925 0.459 1.00 11.32 N ATOM 1025 CA PHE A 70 0.679 -6.370 1.689 1.00 53.01 C ATOM 1026 C PHE A 70 0.181 -7.492 2.580 1.00 41.41 C ATOM 1027 O PHE A 70 -0.260 -7.285 3.722 1.00 3.32 O ATOM 1028 CB PHE A 70 -0.443 -5.363 1.377 1.00 71.14 C ATOM 1029 CG PHE A 70 0.056 -3.966 1.132 1.00 20.34 C ATOM 1030 CD1 PHE A 70 1.079 -3.717 0.239 1.00 72.21 C ATOM 1031 CD2 PHE A 70 -0.491 -2.905 1.825 1.00 42.30 C ATOM 1032 CE1 PHE A 70 1.545 -2.439 0.046 1.00 74.44 C ATOM 1033 CE2 PHE A 70 -0.033 -1.627 1.637 1.00 4.34 C ATOM 1034 CZ PHE A 70 0.986 -1.392 0.753 1.00 72.40 C ATOM 0 H PHE A 70 0.600 -6.944 -0.328 1.00 11.32 H new ATOM 0 HA PHE A 70 1.460 -5.827 2.221 1.00 53.01 H new ATOM 0 HB2 PHE A 70 -0.992 -5.703 0.499 1.00 71.14 H new ATOM 0 HB3 PHE A 70 -1.148 -5.348 2.208 1.00 71.14 H new ATOM 0 HD1 PHE A 70 1.517 -4.535 -0.313 1.00 72.21 H new ATOM 0 HD2 PHE A 70 -1.292 -3.085 2.526 1.00 42.30 H new ATOM 0 HE1 PHE A 70 2.345 -2.254 -0.655 1.00 74.44 H new ATOM 0 HE2 PHE A 70 -0.475 -0.808 2.185 1.00 4.34 H new ATOM 0 HZ PHE A 70 1.353 -0.387 0.608 1.00 72.40 H new ATOM 1044 N PHE A 71 0.265 -8.668 2.054 1.00 51.00 N ATOM 1045 CA PHE A 71 -0.101 -9.851 2.728 1.00 62.12 C ATOM 1046 C PHE A 71 1.116 -10.737 2.744 1.00 72.43 C ATOM 1047 O PHE A 71 2.032 -10.554 1.942 1.00 54.13 O ATOM 1048 CB PHE A 71 -1.268 -10.549 2.004 1.00 43.13 C ATOM 1049 CG PHE A 71 -2.530 -9.725 1.934 1.00 4.11 C ATOM 1050 CD1 PHE A 71 -2.706 -8.775 0.939 1.00 43.12 C ATOM 1051 CD2 PHE A 71 -3.535 -9.899 2.864 1.00 54.14 C ATOM 1052 CE1 PHE A 71 -3.855 -8.020 0.879 1.00 2.14 C ATOM 1053 CE2 PHE A 71 -4.688 -9.144 2.807 1.00 63.31 C ATOM 1054 CZ PHE A 71 -4.847 -8.203 1.814 1.00 35.32 C ATOM 0 H PHE A 71 0.605 -8.829 1.106 1.00 51.00 H new ATOM 0 HA PHE A 71 -0.437 -9.632 3.742 1.00 62.12 H new ATOM 0 HB2 PHE A 71 -0.954 -10.801 0.991 1.00 43.13 H new ATOM 0 HB3 PHE A 71 -1.487 -11.488 2.512 1.00 43.13 H new ATOM 0 HD1 PHE A 71 -1.931 -8.626 0.202 1.00 43.12 H new ATOM 0 HD2 PHE A 71 -3.417 -10.635 3.646 1.00 54.14 H new ATOM 0 HE1 PHE A 71 -3.978 -7.284 0.098 1.00 2.14 H new ATOM 0 HE2 PHE A 71 -5.466 -9.291 3.541 1.00 63.31 H new ATOM 0 HZ PHE A 71 -5.749 -7.610 1.770 1.00 35.32 H new ATOM 1064 N THR A 72 1.150 -11.651 3.635 1.00 1.22 N ATOM 1065 CA THR A 72 2.246 -12.551 3.733 1.00 21.25 C ATOM 1066 C THR A 72 1.943 -13.778 2.897 1.00 1.43 C ATOM 1067 O THR A 72 0.770 -14.026 2.536 1.00 45.20 O ATOM 1068 CB THR A 72 2.481 -12.972 5.208 1.00 42.21 C ATOM 1069 OG1 THR A 72 1.285 -13.570 5.735 1.00 25.21 O ATOM 1070 CG2 THR A 72 2.856 -11.773 6.069 1.00 0.43 C ATOM 0 H THR A 72 0.415 -11.803 4.326 1.00 1.22 H new ATOM 0 HA THR A 72 3.148 -12.058 3.370 1.00 21.25 H new ATOM 0 HB THR A 72 3.303 -13.688 5.229 1.00 42.21 H new ATOM 0 HG1 THR A 72 0.615 -12.873 5.897 1.00 25.21 H new ATOM 0 HG21 THR A 72 3.014 -12.099 7.097 1.00 0.43 H new ATOM 0 HG22 THR A 72 3.771 -11.322 5.686 1.00 0.43 H new ATOM 0 HG23 THR A 72 2.051 -11.039 6.041 1.00 0.43 H new ATOM 1078 N ASN A 73 2.963 -14.558 2.607 1.00 74.12 N ATOM 1079 CA ASN A 73 2.808 -15.813 1.862 1.00 20.42 C ATOM 1080 C ASN A 73 1.970 -16.814 2.678 1.00 22.43 C ATOM 1081 O ASN A 73 1.456 -17.793 2.151 1.00 60.20 O ATOM 1082 CB ASN A 73 4.184 -16.427 1.510 1.00 60.34 C ATOM 1083 CG ASN A 73 4.937 -16.969 2.720 1.00 42.42 C ATOM 1084 OD1 ASN A 73 5.665 -16.237 3.394 1.00 13.02 O ATOM 1085 ND2 ASN A 73 4.803 -18.246 2.979 1.00 54.41 N ATOM 0 H ASN A 73 3.925 -14.351 2.875 1.00 74.12 H new ATOM 0 HA ASN A 73 2.289 -15.592 0.929 1.00 20.42 H new ATOM 0 HB2 ASN A 73 4.040 -17.233 0.791 1.00 60.34 H new ATOM 0 HB3 ASN A 73 4.796 -15.670 1.021 1.00 60.34 H new ATOM 0 HD21 ASN A 73 5.310 -18.664 3.759 1.00 54.41 H new ATOM 0 HD22 ASN A 73 4.192 -18.822 2.400 1.00 54.41 H new ATOM 1092 N SER A 74 1.834 -16.540 3.966 1.00 14.43 N ATOM 1093 CA SER A 74 1.112 -17.387 4.882 1.00 52.15 C ATOM 1094 C SER A 74 -0.419 -17.166 4.762 1.00 1.14 C ATOM 1095 O SER A 74 -1.206 -17.811 5.465 1.00 0.41 O ATOM 1096 CB SER A 74 1.574 -17.047 6.291 1.00 23.41 C ATOM 1097 OG SER A 74 2.998 -16.929 6.340 1.00 33.52 O ATOM 0 H SER A 74 2.231 -15.709 4.404 1.00 14.43 H new ATOM 0 HA SER A 74 1.312 -18.433 4.648 1.00 52.15 H new ATOM 0 HB2 SER A 74 1.115 -16.113 6.614 1.00 23.41 H new ATOM 0 HB3 SER A 74 1.244 -17.821 6.984 1.00 23.41 H new ATOM 0 HG SER A 74 3.277 -16.708 7.253 1.00 33.52 H new ATOM 1103 N GLY A 75 -0.832 -16.252 3.876 1.00 12.31 N ATOM 1104 CA GLY A 75 -2.247 -16.000 3.671 1.00 22.43 C ATOM 1105 C GLY A 75 -2.825 -15.109 4.746 1.00 23.14 C ATOM 1106 O GLY A 75 -4.030 -15.144 5.023 1.00 1.22 O ATOM 0 H GLY A 75 -0.209 -15.686 3.300 1.00 12.31 H new ATOM 0 HA2 GLY A 75 -2.395 -15.535 2.696 1.00 22.43 H new ATOM 0 HA3 GLY A 75 -2.786 -16.947 3.657 1.00 22.43 H new ATOM 1110 N GLN A 76 -1.969 -14.328 5.354 1.00 4.34 N ATOM 1111 CA GLN A 76 -2.353 -13.414 6.410 1.00 12.51 C ATOM 1112 C GLN A 76 -1.869 -12.035 6.020 1.00 43.14 C ATOM 1113 O GLN A 76 -0.826 -11.927 5.384 1.00 31.54 O ATOM 1114 CB GLN A 76 -1.673 -13.844 7.720 1.00 1.50 C ATOM 1115 CG GLN A 76 -2.019 -13.004 8.944 1.00 24.11 C ATOM 1116 CD GLN A 76 -1.188 -13.385 10.156 1.00 10.31 C ATOM 1117 OE1 GLN A 76 -0.037 -13.823 10.027 1.00 35.35 O ATOM 1118 NE2 GLN A 76 -1.738 -13.212 11.333 1.00 42.30 N ATOM 0 H GLN A 76 -0.974 -14.305 5.131 1.00 4.34 H new ATOM 0 HA GLN A 76 -3.434 -13.415 6.552 1.00 12.51 H new ATOM 0 HB2 GLN A 76 -1.940 -14.881 7.925 1.00 1.50 H new ATOM 0 HB3 GLN A 76 -0.593 -13.816 7.575 1.00 1.50 H new ATOM 0 HG2 GLN A 76 -1.862 -11.950 8.715 1.00 24.11 H new ATOM 0 HG3 GLN A 76 -3.077 -13.125 9.178 1.00 24.11 H new ATOM 0 HE21 GLN A 76 -2.689 -12.849 11.403 1.00 42.30 H new ATOM 0 HE22 GLN A 76 -1.215 -13.440 12.179 1.00 42.30 H new ATOM 1127 N VAL A 77 -2.596 -11.004 6.370 1.00 1.42 N ATOM 1128 CA VAL A 77 -2.158 -9.644 6.089 1.00 53.03 C ATOM 1129 C VAL A 77 -0.955 -9.334 7.001 1.00 63.13 C ATOM 1130 O VAL A 77 -0.778 -9.994 8.038 1.00 53.50 O ATOM 1131 CB VAL A 77 -3.314 -8.605 6.328 1.00 32.13 C ATOM 1132 CG1 VAL A 77 -3.677 -8.495 7.798 1.00 13.44 C ATOM 1133 CG2 VAL A 77 -2.983 -7.234 5.744 1.00 53.32 C ATOM 0 H VAL A 77 -3.494 -11.071 6.850 1.00 1.42 H new ATOM 0 HA VAL A 77 -1.872 -9.563 5.040 1.00 53.03 H new ATOM 0 HB VAL A 77 -4.187 -8.984 5.797 1.00 32.13 H new ATOM 0 HG11 VAL A 77 -4.479 -7.767 7.921 1.00 13.44 H new ATOM 0 HG12 VAL A 77 -4.009 -9.466 8.165 1.00 13.44 H new ATOM 0 HG13 VAL A 77 -2.804 -8.172 8.365 1.00 13.44 H new ATOM 0 HG21 VAL A 77 -3.810 -6.549 5.933 1.00 53.32 H new ATOM 0 HG22 VAL A 77 -2.078 -6.848 6.212 1.00 53.32 H new ATOM 0 HG23 VAL A 77 -2.825 -7.325 4.669 1.00 53.32 H new ATOM 1143 N VAL A 78 -0.104 -8.408 6.614 1.00 41.34 N ATOM 1144 CA VAL A 78 1.006 -8.055 7.474 1.00 51.44 C ATOM 1145 C VAL A 78 0.459 -7.321 8.693 1.00 70.23 C ATOM 1146 O VAL A 78 -0.049 -6.216 8.594 1.00 10.45 O ATOM 1147 CB VAL A 78 2.049 -7.174 6.771 1.00 61.21 C ATOM 1148 CG1 VAL A 78 3.237 -6.878 7.688 1.00 65.22 C ATOM 1149 CG2 VAL A 78 2.517 -7.790 5.474 1.00 5.30 C ATOM 0 H VAL A 78 -0.155 -7.897 5.733 1.00 41.34 H new ATOM 0 HA VAL A 78 1.513 -8.977 7.760 1.00 51.44 H new ATOM 0 HB VAL A 78 1.561 -6.229 6.533 1.00 61.21 H new ATOM 0 HG11 VAL A 78 3.957 -6.252 7.160 1.00 65.22 H new ATOM 0 HG12 VAL A 78 2.888 -6.357 8.579 1.00 65.22 H new ATOM 0 HG13 VAL A 78 3.714 -7.814 7.979 1.00 65.22 H new ATOM 0 HG21 VAL A 78 3.254 -7.137 5.006 1.00 5.30 H new ATOM 0 HG22 VAL A 78 2.968 -8.762 5.675 1.00 5.30 H new ATOM 0 HG23 VAL A 78 1.667 -7.916 4.804 1.00 5.30 H new ATOM 1159 N LYS A 79 0.565 -7.960 9.816 1.00 44.24 N ATOM 1160 CA LYS A 79 0.027 -7.476 11.088 1.00 14.34 C ATOM 1161 C LYS A 79 0.527 -6.078 11.502 1.00 54.30 C ATOM 1162 O LYS A 79 -0.225 -5.285 12.062 1.00 12.51 O ATOM 1163 CB LYS A 79 0.265 -8.519 12.180 1.00 42.54 C ATOM 1164 CG LYS A 79 1.696 -8.973 12.258 1.00 43.24 C ATOM 1165 CD LYS A 79 1.867 -10.123 13.231 1.00 11.25 C ATOM 1166 CE LYS A 79 3.303 -10.630 13.252 1.00 40.15 C ATOM 1167 NZ LYS A 79 3.442 -11.834 14.091 1.00 2.32 N ATOM 0 H LYS A 79 1.038 -8.860 9.895 1.00 44.24 H new ATOM 0 HA LYS A 79 -1.045 -7.342 10.944 1.00 14.34 H new ATOM 0 HB2 LYS A 79 -0.031 -8.103 13.143 1.00 42.54 H new ATOM 0 HB3 LYS A 79 -0.375 -9.382 11.996 1.00 42.54 H new ATOM 0 HG2 LYS A 79 2.035 -9.280 11.269 1.00 43.24 H new ATOM 0 HG3 LYS A 79 2.326 -8.139 12.566 1.00 43.24 H new ATOM 0 HD2 LYS A 79 1.580 -9.800 14.232 1.00 11.25 H new ATOM 0 HD3 LYS A 79 1.197 -10.937 12.955 1.00 11.25 H new ATOM 0 HE2 LYS A 79 3.625 -10.855 12.235 1.00 40.15 H new ATOM 0 HE3 LYS A 79 3.961 -9.846 13.628 1.00 40.15 H new ATOM 0 HZ1 LYS A 79 4.432 -12.151 14.082 1.00 2.32 H new ATOM 0 HZ2 LYS A 79 3.159 -11.612 15.067 1.00 2.32 H new ATOM 0 HZ3 LYS A 79 2.833 -12.590 13.717 1.00 2.32 H new ATOM 1181 N SER A 80 1.762 -5.767 11.194 1.00 74.33 N ATOM 1182 CA SER A 80 2.332 -4.482 11.573 1.00 4.52 C ATOM 1183 C SER A 80 2.117 -3.420 10.473 1.00 4.22 C ATOM 1184 O SER A 80 2.418 -2.241 10.657 1.00 41.52 O ATOM 1185 CB SER A 80 3.819 -4.669 11.865 1.00 14.22 C ATOM 1186 OG SER A 80 4.011 -5.721 12.815 1.00 41.31 O ATOM 0 H SER A 80 2.397 -6.380 10.683 1.00 74.33 H new ATOM 0 HA SER A 80 1.825 -4.119 12.467 1.00 4.52 H new ATOM 0 HB2 SER A 80 4.351 -4.902 10.943 1.00 14.22 H new ATOM 0 HB3 SER A 80 4.240 -3.741 12.251 1.00 14.22 H new ATOM 0 HG SER A 80 4.969 -5.831 12.992 1.00 41.31 H new ATOM 1192 N LEU A 81 1.549 -3.848 9.359 1.00 40.35 N ATOM 1193 CA LEU A 81 1.338 -2.987 8.204 1.00 50.42 C ATOM 1194 C LEU A 81 0.328 -1.840 8.464 1.00 53.00 C ATOM 1195 O LEU A 81 0.627 -0.697 8.129 1.00 73.44 O ATOM 1196 CB LEU A 81 1.015 -3.835 6.971 1.00 31.53 C ATOM 1197 CG LEU A 81 0.815 -3.157 5.621 1.00 21.23 C ATOM 1198 CD1 LEU A 81 1.038 -4.193 4.555 1.00 65.45 C ATOM 1199 CD2 LEU A 81 -0.599 -2.597 5.475 1.00 3.21 C ATOM 0 H LEU A 81 1.220 -4.804 9.228 1.00 40.35 H new ATOM 0 HA LEU A 81 2.271 -2.460 8.002 1.00 50.42 H new ATOM 0 HB2 LEU A 81 1.820 -4.561 6.855 1.00 31.53 H new ATOM 0 HB3 LEU A 81 0.108 -4.397 7.191 1.00 31.53 H new ATOM 0 HG LEU A 81 1.514 -2.326 5.533 1.00 21.23 H new ATOM 0 HD11 LEU A 81 0.902 -3.740 3.573 1.00 65.45 H new ATOM 0 HD12 LEU A 81 2.051 -4.586 4.636 1.00 65.45 H new ATOM 0 HD13 LEU A 81 0.322 -5.005 4.682 1.00 65.45 H new ATOM 0 HD21 LEU A 81 -0.703 -2.121 4.500 1.00 3.21 H new ATOM 0 HD22 LEU A 81 -1.322 -3.408 5.562 1.00 3.21 H new ATOM 0 HD23 LEU A 81 -0.782 -1.862 6.259 1.00 3.21 H new ATOM 1211 N PRO A 82 -0.884 -2.098 9.069 1.00 64.32 N ATOM 1212 CA PRO A 82 -1.831 -1.018 9.400 1.00 3.23 C ATOM 1213 C PRO A 82 -1.165 0.074 10.255 1.00 52.00 C ATOM 1214 O PRO A 82 -1.508 1.254 10.154 1.00 73.21 O ATOM 1215 CB PRO A 82 -2.948 -1.727 10.194 1.00 71.23 C ATOM 1216 CG PRO A 82 -2.408 -3.081 10.511 1.00 71.02 C ATOM 1217 CD PRO A 82 -1.455 -3.412 9.410 1.00 42.52 C ATOM 0 HA PRO A 82 -2.201 -0.510 8.509 1.00 3.23 H new ATOM 0 HB2 PRO A 82 -3.193 -1.178 11.104 1.00 71.23 H new ATOM 0 HB3 PRO A 82 -3.864 -1.796 9.607 1.00 71.23 H new ATOM 0 HG2 PRO A 82 -1.904 -3.084 11.477 1.00 71.02 H new ATOM 0 HG3 PRO A 82 -3.210 -3.817 10.568 1.00 71.02 H new ATOM 0 HD2 PRO A 82 -0.688 -4.114 9.736 1.00 42.52 H new ATOM 0 HD3 PRO A 82 -1.962 -3.866 8.559 1.00 42.52 H new ATOM 1225 N GLY A 83 -0.157 -0.334 11.036 1.00 20.13 N ATOM 1226 CA GLY A 83 0.583 0.574 11.881 1.00 40.21 C ATOM 1227 C GLY A 83 1.345 1.611 11.074 1.00 15.21 C ATOM 1228 O GLY A 83 1.406 2.783 11.464 1.00 42.41 O ATOM 0 H GLY A 83 0.158 -1.303 11.091 1.00 20.13 H new ATOM 0 HA2 GLY A 83 -0.104 1.077 12.561 1.00 40.21 H new ATOM 0 HA3 GLY A 83 1.283 0.008 12.496 1.00 40.21 H new ATOM 1232 N LEU A 84 1.906 1.197 9.929 1.00 10.33 N ATOM 1233 CA LEU A 84 2.629 2.132 9.072 1.00 10.21 C ATOM 1234 C LEU A 84 1.635 3.118 8.475 1.00 40.21 C ATOM 1235 O LEU A 84 1.884 4.309 8.405 1.00 35.03 O ATOM 1236 CB LEU A 84 3.507 1.418 7.983 1.00 70.22 C ATOM 1237 CG LEU A 84 2.807 0.800 6.750 1.00 75.21 C ATOM 1238 CD1 LEU A 84 2.583 1.833 5.639 1.00 4.54 C ATOM 1239 CD2 LEU A 84 3.575 -0.405 6.225 1.00 74.42 C ATOM 0 H LEU A 84 1.872 0.238 9.584 1.00 10.33 H new ATOM 0 HA LEU A 84 3.349 2.678 9.681 1.00 10.21 H new ATOM 0 HB2 LEU A 84 4.236 2.142 7.620 1.00 70.22 H new ATOM 0 HB3 LEU A 84 4.066 0.624 8.478 1.00 70.22 H new ATOM 0 HG LEU A 84 1.825 0.459 7.079 1.00 75.21 H new ATOM 0 HD11 LEU A 84 2.089 1.356 4.793 1.00 4.54 H new ATOM 0 HD12 LEU A 84 1.957 2.642 6.015 1.00 4.54 H new ATOM 0 HD13 LEU A 84 3.543 2.236 5.318 1.00 4.54 H new ATOM 0 HD21 LEU A 84 3.058 -0.817 5.359 1.00 74.42 H new ATOM 0 HD22 LEU A 84 4.580 -0.098 5.935 1.00 74.42 H new ATOM 0 HD23 LEU A 84 3.638 -1.164 7.005 1.00 74.42 H new ATOM 1251 N LEU A 85 0.476 2.606 8.093 1.00 22.25 N ATOM 1252 CA LEU A 85 -0.579 3.431 7.521 1.00 32.11 C ATOM 1253 C LEU A 85 -1.036 4.470 8.527 1.00 0.15 C ATOM 1254 O LEU A 85 -1.366 5.592 8.163 1.00 42.32 O ATOM 1255 CB LEU A 85 -1.754 2.568 7.071 1.00 5.45 C ATOM 1256 CG LEU A 85 -1.445 1.532 5.992 1.00 33.45 C ATOM 1257 CD1 LEU A 85 -2.666 0.688 5.715 1.00 74.10 C ATOM 1258 CD2 LEU A 85 -0.976 2.213 4.715 1.00 64.05 C ATOM 0 H LEU A 85 0.240 1.617 8.169 1.00 22.25 H new ATOM 0 HA LEU A 85 -0.180 3.945 6.646 1.00 32.11 H new ATOM 0 HB2 LEU A 85 -2.153 2.049 7.942 1.00 5.45 H new ATOM 0 HB3 LEU A 85 -2.542 3.225 6.702 1.00 5.45 H new ATOM 0 HG LEU A 85 -0.644 0.886 6.353 1.00 33.45 H new ATOM 0 HD11 LEU A 85 -2.433 -0.047 4.944 1.00 74.10 H new ATOM 0 HD12 LEU A 85 -2.967 0.174 6.627 1.00 74.10 H new ATOM 0 HD13 LEU A 85 -3.480 1.327 5.373 1.00 74.10 H new ATOM 0 HD21 LEU A 85 -0.761 1.459 3.958 1.00 64.05 H new ATOM 0 HD22 LEU A 85 -1.757 2.880 4.350 1.00 64.05 H new ATOM 0 HD23 LEU A 85 -0.074 2.789 4.920 1.00 64.05 H new ATOM 1270 N THR A 86 -0.988 4.100 9.792 1.00 54.31 N ATOM 1271 CA THR A 86 -1.373 4.988 10.875 1.00 22.44 C ATOM 1272 C THR A 86 -0.438 6.226 10.914 1.00 5.23 C ATOM 1273 O THR A 86 -0.908 7.377 10.886 1.00 53.20 O ATOM 1274 CB THR A 86 -1.319 4.244 12.235 1.00 34.23 C ATOM 1275 OG1 THR A 86 -2.044 3.007 12.134 1.00 51.44 O ATOM 1276 CG2 THR A 86 -1.946 5.081 13.334 1.00 23.21 C ATOM 0 H THR A 86 -0.682 3.177 10.099 1.00 54.31 H new ATOM 0 HA THR A 86 -2.396 5.320 10.698 1.00 22.44 H new ATOM 0 HB THR A 86 -0.273 4.057 12.479 1.00 34.23 H new ATOM 0 HG1 THR A 86 -1.557 2.389 11.549 1.00 51.44 H new ATOM 0 HG21 THR A 86 -1.896 4.538 14.278 1.00 23.21 H new ATOM 0 HG22 THR A 86 -1.405 6.023 13.428 1.00 23.21 H new ATOM 0 HG23 THR A 86 -2.988 5.284 13.087 1.00 23.21 H new ATOM 1284 N ILE A 87 0.876 5.981 10.895 1.00 43.12 N ATOM 1285 CA ILE A 87 1.851 7.062 10.948 1.00 31.12 C ATOM 1286 C ILE A 87 1.801 7.929 9.674 1.00 11.22 C ATOM 1287 O ILE A 87 1.874 9.160 9.753 1.00 41.43 O ATOM 1288 CB ILE A 87 3.315 6.550 11.358 1.00 52.11 C ATOM 1289 CG1 ILE A 87 4.409 7.661 11.389 1.00 25.12 C ATOM 1290 CG2 ILE A 87 3.778 5.363 10.538 1.00 4.33 C ATOM 1291 CD1 ILE A 87 4.961 8.103 10.033 1.00 23.20 C ATOM 0 H ILE A 87 1.282 5.047 10.844 1.00 43.12 H new ATOM 0 HA ILE A 87 1.569 7.730 11.761 1.00 31.12 H new ATOM 0 HB ILE A 87 3.190 6.221 12.389 1.00 52.11 H new ATOM 0 HG12 ILE A 87 3.995 8.535 11.892 1.00 25.12 H new ATOM 0 HG13 ILE A 87 5.240 7.306 11.998 1.00 25.12 H new ATOM 0 HG21 ILE A 87 4.775 5.063 10.862 1.00 4.33 H new ATOM 0 HG22 ILE A 87 3.086 4.532 10.677 1.00 4.33 H new ATOM 0 HG23 ILE A 87 3.807 5.638 9.484 1.00 4.33 H new ATOM 0 HD11 ILE A 87 5.713 8.878 10.181 1.00 23.20 H new ATOM 0 HD12 ILE A 87 5.414 7.249 9.529 1.00 23.20 H new ATOM 0 HD13 ILE A 87 4.150 8.497 9.421 1.00 23.20 H new ATOM 1303 N LEU A 88 1.641 7.302 8.513 1.00 53.22 N ATOM 1304 CA LEU A 88 1.510 8.060 7.267 1.00 71.40 C ATOM 1305 C LEU A 88 0.228 8.868 7.209 1.00 14.22 C ATOM 1306 O LEU A 88 0.209 9.956 6.639 1.00 11.40 O ATOM 1307 CB LEU A 88 1.689 7.232 5.998 1.00 14.54 C ATOM 1308 CG LEU A 88 3.125 6.833 5.595 1.00 22.10 C ATOM 1309 CD1 LEU A 88 4.058 8.037 5.545 1.00 53.34 C ATOM 1310 CD2 LEU A 88 3.677 5.755 6.478 1.00 24.12 C ATOM 0 H LEU A 88 1.599 6.289 8.405 1.00 53.22 H new ATOM 0 HA LEU A 88 2.350 8.754 7.292 1.00 71.40 H new ATOM 0 HB2 LEU A 88 1.106 6.318 6.110 1.00 14.54 H new ATOM 0 HB3 LEU A 88 1.251 7.790 5.170 1.00 14.54 H new ATOM 0 HG LEU A 88 3.063 6.426 4.586 1.00 22.10 H new ATOM 0 HD11 LEU A 88 5.058 7.711 5.258 1.00 53.34 H new ATOM 0 HD12 LEU A 88 3.686 8.755 4.814 1.00 53.34 H new ATOM 0 HD13 LEU A 88 4.098 8.507 6.528 1.00 53.34 H new ATOM 0 HD21 LEU A 88 4.689 5.506 6.158 1.00 24.12 H new ATOM 0 HD22 LEU A 88 3.698 6.105 7.510 1.00 24.12 H new ATOM 0 HD23 LEU A 88 3.046 4.869 6.409 1.00 24.12 H new ATOM 1322 N HIS A 89 -0.848 8.330 7.771 1.00 42.24 N ATOM 1323 CA HIS A 89 -2.118 9.052 7.850 1.00 43.32 C ATOM 1324 C HIS A 89 -1.929 10.317 8.680 1.00 21.33 C ATOM 1325 O HIS A 89 -2.434 11.386 8.331 1.00 13.34 O ATOM 1326 CB HIS A 89 -3.233 8.167 8.461 1.00 41.03 C ATOM 1327 CG HIS A 89 -4.564 8.868 8.632 1.00 23.13 C ATOM 1328 ND1 HIS A 89 -5.069 9.272 9.852 1.00 60.25 N ATOM 1329 CD2 HIS A 89 -5.481 9.249 7.708 1.00 12.22 C ATOM 1330 CE1 HIS A 89 -6.240 9.871 9.638 1.00 35.31 C ATOM 1331 NE2 HIS A 89 -6.541 9.885 8.352 1.00 33.21 N ATOM 0 H HIS A 89 -0.869 7.396 8.180 1.00 42.24 H new ATOM 0 HA HIS A 89 -2.429 9.320 6.840 1.00 43.32 H new ATOM 0 HB2 HIS A 89 -3.375 7.293 7.826 1.00 41.03 H new ATOM 0 HB3 HIS A 89 -2.900 7.804 9.433 1.00 41.03 H new ATOM 0 HD2 HIS A 89 -5.402 9.086 6.643 1.00 12.22 H new ATOM 0 HE1 HIS A 89 -6.862 10.290 10.415 1.00 35.31 H new ATOM 0 HE2 HIS A 89 -7.376 10.280 7.920 1.00 33.21 H new ATOM 1339 N ASP A 90 -1.166 10.191 9.760 1.00 0.11 N ATOM 1340 CA ASP A 90 -0.869 11.329 10.638 1.00 35.14 C ATOM 1341 C ASP A 90 -0.034 12.371 9.910 1.00 70.31 C ATOM 1342 O ASP A 90 -0.216 13.573 10.111 1.00 3.31 O ATOM 1343 CB ASP A 90 -0.107 10.854 11.888 1.00 30.24 C ATOM 1344 CG ASP A 90 0.321 11.994 12.803 1.00 34.25 C ATOM 1345 OD1 ASP A 90 -0.465 12.391 13.682 1.00 64.34 O ATOM 1346 OD2 ASP A 90 1.461 12.494 12.673 1.00 20.13 O ATOM 0 H ASP A 90 -0.739 9.313 10.053 1.00 0.11 H new ATOM 0 HA ASP A 90 -1.817 11.778 10.936 1.00 35.14 H new ATOM 0 HB2 ASP A 90 -0.738 10.164 12.449 1.00 30.24 H new ATOM 0 HB3 ASP A 90 0.776 10.296 11.576 1.00 30.24 H new ATOM 1351 N GLY A 91 0.804 11.907 8.992 1.00 40.14 N ATOM 1352 CA GLY A 91 1.662 12.803 8.246 1.00 10.25 C ATOM 1353 C GLY A 91 1.000 13.327 6.991 1.00 64.22 C ATOM 1354 O GLY A 91 1.517 14.243 6.345 1.00 75.12 O ATOM 0 H GLY A 91 0.904 10.921 8.751 1.00 40.14 H new ATOM 0 HA2 GLY A 91 1.945 13.642 8.881 1.00 10.25 H new ATOM 0 HA3 GLY A 91 2.581 12.282 7.978 1.00 10.25 H new ATOM 1358 N GLY A 92 -0.139 12.749 6.662 1.00 3.35 N ATOM 1359 CA GLY A 92 -0.920 13.173 5.527 1.00 12.54 C ATOM 1360 C GLY A 92 -0.368 12.715 4.194 1.00 11.52 C ATOM 1361 O GLY A 92 -0.242 13.512 3.271 1.00 41.11 O ATOM 0 H GLY A 92 -0.546 11.970 7.179 1.00 3.35 H new ATOM 0 HA2 GLY A 92 -1.936 12.795 5.637 1.00 12.54 H new ATOM 0 HA3 GLY A 92 -0.983 14.261 5.528 1.00 12.54 H new ATOM 1365 N TYR A 93 -0.049 11.450 4.076 1.00 21.11 N ATOM 1366 CA TYR A 93 0.462 10.916 2.820 1.00 1.24 C ATOM 1367 C TYR A 93 -0.547 9.994 2.157 1.00 72.34 C ATOM 1368 O TYR A 93 -1.230 9.222 2.830 1.00 31.31 O ATOM 1369 CB TYR A 93 1.816 10.219 3.014 1.00 51.32 C ATOM 1370 CG TYR A 93 2.941 11.180 3.340 1.00 12.41 C ATOM 1371 CD1 TYR A 93 3.206 11.557 4.646 1.00 2.44 C ATOM 1372 CD2 TYR A 93 3.733 11.719 2.330 1.00 65.10 C ATOM 1373 CE1 TYR A 93 4.220 12.439 4.942 1.00 45.34 C ATOM 1374 CE2 TYR A 93 4.756 12.604 2.618 1.00 21.32 C ATOM 1375 CZ TYR A 93 4.994 12.964 3.926 1.00 31.04 C ATOM 1376 OH TYR A 93 6.026 13.834 4.222 1.00 15.22 O ATOM 0 H TYR A 93 -0.131 10.765 4.828 1.00 21.11 H new ATOM 0 HA TYR A 93 0.623 11.760 2.149 1.00 1.24 H new ATOM 0 HB2 TYR A 93 1.729 9.487 3.817 1.00 51.32 H new ATOM 0 HB3 TYR A 93 2.068 9.669 2.107 1.00 51.32 H new ATOM 0 HD1 TYR A 93 2.606 11.151 5.447 1.00 2.44 H new ATOM 0 HD2 TYR A 93 3.545 11.441 1.303 1.00 65.10 H new ATOM 0 HE1 TYR A 93 4.410 12.720 5.967 1.00 45.34 H new ATOM 0 HE2 TYR A 93 5.364 13.010 1.823 1.00 21.32 H new ATOM 0 HH TYR A 93 6.830 13.322 4.450 1.00 15.22 H new ATOM 1386 N ARG A 94 -0.656 10.106 0.846 1.00 62.13 N ATOM 1387 CA ARG A 94 -1.594 9.300 0.066 1.00 33.44 C ATOM 1388 C ARG A 94 -1.034 7.908 -0.237 1.00 21.02 C ATOM 1389 O ARG A 94 0.149 7.640 -0.032 1.00 71.10 O ATOM 1390 CB ARG A 94 -2.002 9.992 -1.244 1.00 20.45 C ATOM 1391 CG ARG A 94 -0.882 10.125 -2.263 1.00 64.31 C ATOM 1392 CD ARG A 94 -1.376 10.739 -3.561 1.00 21.22 C ATOM 1393 NE ARG A 94 -1.928 12.082 -3.359 1.00 5.02 N ATOM 1394 CZ ARG A 94 -1.601 13.164 -4.071 1.00 72.42 C ATOM 1395 NH1 ARG A 94 -0.744 13.071 -5.091 1.00 70.34 N ATOM 1396 NH2 ARG A 94 -2.153 14.331 -3.783 1.00 55.12 N ATOM 0 H ARG A 94 -0.101 10.755 0.288 1.00 62.13 H new ATOM 0 HA ARG A 94 -2.484 9.189 0.686 1.00 33.44 H new ATOM 0 HB2 ARG A 94 -2.822 9.433 -1.695 1.00 20.45 H new ATOM 0 HB3 ARG A 94 -2.384 10.986 -1.011 1.00 20.45 H new ATOM 0 HG2 ARG A 94 -0.084 10.742 -1.849 1.00 64.31 H new ATOM 0 HG3 ARG A 94 -0.454 9.143 -2.464 1.00 64.31 H new ATOM 0 HD2 ARG A 94 -0.553 10.789 -4.274 1.00 21.22 H new ATOM 0 HD3 ARG A 94 -2.139 10.096 -3.999 1.00 21.22 H new ATOM 0 HE ARG A 94 -2.617 12.200 -2.616 1.00 5.02 H new ATOM 0 HH11 ARG A 94 -0.334 12.169 -5.332 1.00 70.34 H new ATOM 0 HH12 ARG A 94 -0.500 13.902 -5.629 1.00 70.34 H new ATOM 0 HH21 ARG A 94 -2.826 14.402 -3.020 1.00 55.12 H new ATOM 0 HH22 ARG A 94 -1.906 15.159 -4.324 1.00 55.12 H new ATOM 1410 N ASP A 95 -1.895 7.075 -0.789 1.00 72.54 N ATOM 1411 CA ASP A 95 -1.635 5.664 -1.132 1.00 63.20 C ATOM 1412 C ASP A 95 -0.405 5.514 -2.030 1.00 71.41 C ATOM 1413 O ASP A 95 0.463 4.678 -1.777 1.00 54.23 O ATOM 1414 CB ASP A 95 -2.870 5.105 -1.880 1.00 41.42 C ATOM 1415 CG ASP A 95 -3.136 5.842 -3.198 1.00 33.21 C ATOM 1416 OD1 ASP A 95 -3.323 7.085 -3.167 1.00 10.32 O ATOM 1417 OD2 ASP A 95 -3.094 5.223 -4.266 1.00 13.42 O ATOM 0 H ASP A 95 -2.844 7.364 -1.027 1.00 72.54 H new ATOM 0 HA ASP A 95 -1.447 5.116 -0.209 1.00 63.20 H new ATOM 0 HB2 ASP A 95 -2.719 4.045 -2.083 1.00 41.42 H new ATOM 0 HB3 ASP A 95 -3.747 5.185 -1.238 1.00 41.42 H new ATOM 1422 N THR A 96 -0.322 6.352 -3.035 1.00 14.24 N ATOM 1423 CA THR A 96 0.756 6.348 -3.976 1.00 34.23 C ATOM 1424 C THR A 96 2.082 6.654 -3.260 1.00 73.42 C ATOM 1425 O THR A 96 3.102 6.016 -3.510 1.00 44.14 O ATOM 1426 CB THR A 96 0.464 7.355 -5.091 1.00 15.02 C ATOM 1427 OG1 THR A 96 -0.897 7.141 -5.555 1.00 3.35 O ATOM 1428 CG2 THR A 96 1.429 7.160 -6.248 1.00 45.54 C ATOM 0 H THR A 96 -1.022 7.070 -3.220 1.00 14.24 H new ATOM 0 HA THR A 96 0.850 5.361 -4.429 1.00 34.23 H new ATOM 0 HB THR A 96 0.584 8.369 -4.708 1.00 15.02 H new ATOM 0 HG1 THR A 96 -1.136 6.197 -5.445 1.00 3.35 H new ATOM 0 HG21 THR A 96 1.208 7.884 -7.032 1.00 45.54 H new ATOM 0 HG22 THR A 96 2.451 7.305 -5.898 1.00 45.54 H new ATOM 0 HG23 THR A 96 1.322 6.151 -6.645 1.00 45.54 H new ATOM 1436 N GLU A 97 2.027 7.597 -2.330 1.00 32.33 N ATOM 1437 CA GLU A 97 3.184 7.987 -1.553 1.00 12.14 C ATOM 1438 C GLU A 97 3.679 6.847 -0.702 1.00 74.05 C ATOM 1439 O GLU A 97 4.878 6.640 -0.604 1.00 20.21 O ATOM 1440 CB GLU A 97 2.879 9.205 -0.686 1.00 51.23 C ATOM 1441 CG GLU A 97 2.801 10.491 -1.467 1.00 11.21 C ATOM 1442 CD GLU A 97 4.145 10.873 -2.018 1.00 64.13 C ATOM 1443 OE1 GLU A 97 4.542 10.359 -3.073 1.00 70.22 O ATOM 1444 OE2 GLU A 97 4.841 11.676 -1.389 1.00 33.44 O ATOM 0 H GLU A 97 1.177 8.110 -2.097 1.00 32.33 H new ATOM 0 HA GLU A 97 3.974 8.255 -2.255 1.00 12.14 H new ATOM 0 HB2 GLU A 97 1.933 9.045 -0.168 1.00 51.23 H new ATOM 0 HB3 GLU A 97 3.650 9.299 0.079 1.00 51.23 H new ATOM 0 HG2 GLU A 97 2.088 10.381 -2.284 1.00 11.21 H new ATOM 0 HG3 GLU A 97 2.428 11.288 -0.824 1.00 11.21 H new ATOM 1451 N ILE A 98 2.749 6.076 -0.143 1.00 65.43 N ATOM 1452 CA ILE A 98 3.103 4.948 0.712 1.00 14.52 C ATOM 1453 C ILE A 98 3.915 3.959 -0.112 1.00 21.15 C ATOM 1454 O ILE A 98 5.005 3.543 0.276 1.00 13.11 O ATOM 1455 CB ILE A 98 1.846 4.175 1.241 1.00 14.10 C ATOM 1456 CG1 ILE A 98 0.745 5.105 1.766 1.00 23.22 C ATOM 1457 CG2 ILE A 98 2.248 3.204 2.333 1.00 12.32 C ATOM 1458 CD1 ILE A 98 1.179 6.073 2.831 1.00 3.14 C ATOM 0 H ILE A 98 1.746 6.212 -0.267 1.00 65.43 H new ATOM 0 HA ILE A 98 3.654 5.347 1.564 1.00 14.52 H new ATOM 0 HB ILE A 98 1.435 3.635 0.388 1.00 14.10 H new ATOM 0 HG12 ILE A 98 0.339 5.670 0.927 1.00 23.22 H new ATOM 0 HG13 ILE A 98 -0.066 4.494 2.162 1.00 23.22 H new ATOM 0 HG21 ILE A 98 1.366 2.674 2.691 1.00 12.32 H new ATOM 0 HG22 ILE A 98 2.966 2.486 1.936 1.00 12.32 H new ATOM 0 HG23 ILE A 98 2.702 3.752 3.158 1.00 12.32 H new ATOM 0 HD11 ILE A 98 0.329 6.685 3.135 1.00 3.14 H new ATOM 0 HD12 ILE A 98 1.556 5.521 3.692 1.00 3.14 H new ATOM 0 HD13 ILE A 98 1.967 6.716 2.439 1.00 3.14 H new ATOM 1470 N MET A 99 3.401 3.673 -1.292 1.00 73.00 N ATOM 1471 CA MET A 99 3.994 2.699 -2.191 1.00 51.01 C ATOM 1472 C MET A 99 5.336 3.177 -2.732 1.00 44.22 C ATOM 1473 O MET A 99 6.184 2.358 -3.076 1.00 75.52 O ATOM 1474 CB MET A 99 3.072 2.414 -3.376 1.00 1.21 C ATOM 1475 CG MET A 99 1.655 2.015 -3.030 1.00 24.31 C ATOM 1476 SD MET A 99 1.533 0.518 -2.054 1.00 22.24 S ATOM 1477 CE MET A 99 -0.248 0.418 -1.872 1.00 61.51 C ATOM 0 H MET A 99 2.556 4.111 -1.657 1.00 73.00 H new ATOM 0 HA MET A 99 4.143 1.790 -1.608 1.00 51.01 H new ATOM 0 HB2 MET A 99 3.035 3.304 -4.005 1.00 1.21 H new ATOM 0 HB3 MET A 99 3.517 1.619 -3.974 1.00 1.21 H new ATOM 0 HG2 MET A 99 1.182 2.831 -2.484 1.00 24.31 H new ATOM 0 HG3 MET A 99 1.091 1.881 -3.953 1.00 24.31 H new ATOM 0 HE1 MET A 99 -0.493 -0.277 -1.069 1.00 61.51 H new ATOM 0 HE2 MET A 99 -0.645 1.404 -1.633 1.00 61.51 H new ATOM 0 HE3 MET A 99 -0.690 0.065 -2.804 1.00 61.51 H new ATOM 1487 N ARG A 100 5.530 4.504 -2.790 1.00 12.53 N ATOM 1488 CA ARG A 100 6.721 5.101 -3.349 1.00 72.34 C ATOM 1489 C ARG A 100 8.003 4.538 -2.741 1.00 75.12 C ATOM 1490 O ARG A 100 8.716 3.767 -3.382 1.00 53.12 O ATOM 1491 CB ARG A 100 6.644 6.621 -3.226 1.00 72.05 C ATOM 1492 CG ARG A 100 7.909 7.330 -3.610 1.00 64.21 C ATOM 1493 CD ARG A 100 7.684 8.800 -3.786 1.00 4.23 C ATOM 1494 NE ARG A 100 7.196 9.515 -2.595 1.00 32.24 N ATOM 1495 CZ ARG A 100 7.967 10.235 -1.760 1.00 41.52 C ATOM 1496 NH1 ARG A 100 9.280 10.003 -1.673 1.00 2.21 N ATOM 1497 NH2 ARG A 100 7.409 11.151 -0.983 1.00 52.41 N ATOM 0 H ARG A 100 4.853 5.184 -2.445 1.00 12.53 H new ATOM 0 HA ARG A 100 6.764 4.840 -4.407 1.00 72.34 H new ATOM 0 HB2 ARG A 100 5.831 6.985 -3.854 1.00 72.05 H new ATOM 0 HB3 ARG A 100 6.393 6.880 -2.197 1.00 72.05 H new ATOM 0 HG2 ARG A 100 8.666 7.166 -2.843 1.00 64.21 H new ATOM 0 HG3 ARG A 100 8.297 6.907 -4.537 1.00 64.21 H new ATOM 0 HD2 ARG A 100 8.621 9.257 -4.104 1.00 4.23 H new ATOM 0 HD3 ARG A 100 6.968 8.946 -4.594 1.00 4.23 H new ATOM 0 HE ARG A 100 6.199 9.460 -2.387 1.00 32.24 H new ATOM 0 HH11 ARG A 100 9.708 9.274 -2.243 1.00 2.21 H new ATOM 0 HH12 ARG A 100 9.854 10.555 -1.036 1.00 2.21 H new ATOM 0 HH21 ARG A 100 6.402 11.306 -1.020 1.00 52.41 H new ATOM 0 HH22 ARG A 100 7.987 11.701 -0.347 1.00 52.41 H new ATOM 1511 N TRP A 101 8.261 4.879 -1.514 1.00 2.54 N ATOM 1512 CA TRP A 101 9.455 4.425 -0.822 1.00 75.41 C ATOM 1513 C TRP A 101 9.421 2.933 -0.539 1.00 23.31 C ATOM 1514 O TRP A 101 10.454 2.285 -0.557 1.00 70.00 O ATOM 1515 CB TRP A 101 9.751 5.280 0.417 1.00 31.24 C ATOM 1516 CG TRP A 101 8.520 5.775 1.078 1.00 20.45 C ATOM 1517 CD1 TRP A 101 7.927 6.976 0.860 1.00 11.44 C ATOM 1518 CD2 TRP A 101 7.717 5.091 2.029 1.00 33.32 C ATOM 1519 NE1 TRP A 101 6.802 7.084 1.604 1.00 31.54 N ATOM 1520 CE2 TRP A 101 6.646 5.939 2.343 1.00 72.41 C ATOM 1521 CE3 TRP A 101 7.797 3.843 2.646 1.00 64.15 C ATOM 1522 CZ2 TRP A 101 5.660 5.580 3.245 1.00 23.12 C ATOM 1523 CZ3 TRP A 101 6.819 3.487 3.540 1.00 23.34 C ATOM 1524 CH2 TRP A 101 5.763 4.349 3.834 1.00 61.10 C ATOM 0 H TRP A 101 7.656 5.480 -0.954 1.00 2.54 H new ATOM 0 HA TRP A 101 10.301 4.571 -1.494 1.00 75.41 H new ATOM 0 HB2 TRP A 101 10.330 4.692 1.129 1.00 31.24 H new ATOM 0 HB3 TRP A 101 10.370 6.129 0.128 1.00 31.24 H new ATOM 0 HD1 TRP A 101 8.299 7.736 0.189 1.00 11.44 H new ATOM 0 HE1 TRP A 101 6.172 7.886 1.614 1.00 31.54 H new ATOM 0 HE3 TRP A 101 8.612 3.170 2.425 1.00 64.15 H new ATOM 0 HZ2 TRP A 101 4.841 6.245 3.475 1.00 23.12 H new ATOM 0 HZ3 TRP A 101 6.868 2.523 4.024 1.00 23.34 H new ATOM 0 HH2 TRP A 101 5.009 4.038 4.542 1.00 61.10 H new ATOM 1535 N LEU A 102 8.218 2.391 -0.326 1.00 65.30 N ATOM 1536 CA LEU A 102 8.040 0.961 -0.065 1.00 20.12 C ATOM 1537 C LEU A 102 8.623 0.097 -1.178 1.00 22.21 C ATOM 1538 O LEU A 102 9.268 -0.934 -0.914 1.00 3.04 O ATOM 1539 CB LEU A 102 6.550 0.610 0.089 1.00 2.15 C ATOM 1540 CG LEU A 102 5.900 0.784 1.452 1.00 4.02 C ATOM 1541 CD1 LEU A 102 4.429 0.411 1.372 1.00 71.22 C ATOM 1542 CD2 LEU A 102 6.586 -0.092 2.469 1.00 33.32 C ATOM 0 H LEU A 102 7.349 2.925 -0.330 1.00 65.30 H new ATOM 0 HA LEU A 102 8.573 0.752 0.862 1.00 20.12 H new ATOM 0 HB2 LEU A 102 5.991 1.216 -0.624 1.00 2.15 H new ATOM 0 HB3 LEU A 102 6.422 -0.431 -0.208 1.00 2.15 H new ATOM 0 HG LEU A 102 5.994 1.826 1.756 1.00 4.02 H new ATOM 0 HD11 LEU A 102 3.968 0.537 2.351 1.00 71.22 H new ATOM 0 HD12 LEU A 102 3.929 1.056 0.649 1.00 71.22 H new ATOM 0 HD13 LEU A 102 4.334 -0.628 1.058 1.00 71.22 H new ATOM 0 HD21 LEU A 102 6.112 0.040 3.442 1.00 33.32 H new ATOM 0 HD22 LEU A 102 6.504 -1.135 2.165 1.00 33.32 H new ATOM 0 HD23 LEU A 102 7.638 0.185 2.537 1.00 33.32 H new ATOM 1554 N PHE A 103 8.428 0.520 -2.403 1.00 70.13 N ATOM 1555 CA PHE A 103 8.875 -0.255 -3.533 1.00 42.13 C ATOM 1556 C PHE A 103 10.150 0.274 -4.142 1.00 11.01 C ATOM 1557 O PHE A 103 10.605 -0.230 -5.175 1.00 4.44 O ATOM 1558 CB PHE A 103 7.771 -0.383 -4.571 1.00 62.52 C ATOM 1559 CG PHE A 103 6.607 -1.188 -4.084 1.00 42.20 C ATOM 1560 CD1 PHE A 103 6.584 -2.552 -4.267 1.00 35.21 C ATOM 1561 CD2 PHE A 103 5.540 -0.585 -3.438 1.00 34.32 C ATOM 1562 CE1 PHE A 103 5.524 -3.298 -3.829 1.00 13.05 C ATOM 1563 CE2 PHE A 103 4.475 -1.325 -2.995 1.00 24.31 C ATOM 1564 CZ PHE A 103 4.463 -2.680 -3.189 1.00 64.44 C ATOM 0 H PHE A 103 7.963 1.396 -2.642 1.00 70.13 H new ATOM 0 HA PHE A 103 9.112 -1.251 -3.159 1.00 42.13 H new ATOM 0 HB2 PHE A 103 7.426 0.612 -4.853 1.00 62.52 H new ATOM 0 HB3 PHE A 103 8.176 -0.846 -5.471 1.00 62.52 H new ATOM 0 HD1 PHE A 103 7.412 -3.039 -4.762 1.00 35.21 H new ATOM 0 HD2 PHE A 103 5.548 0.484 -3.281 1.00 34.32 H new ATOM 0 HE1 PHE A 103 5.515 -4.367 -3.982 1.00 13.05 H new ATOM 0 HE2 PHE A 103 3.649 -0.841 -2.495 1.00 24.31 H new ATOM 0 HZ PHE A 103 3.625 -3.267 -2.843 1.00 64.44 H new ATOM 1574 N THR A 104 10.693 1.306 -3.565 1.00 71.43 N ATOM 1575 CA THR A 104 11.976 1.804 -3.981 1.00 22.44 C ATOM 1576 C THR A 104 13.088 1.093 -3.194 1.00 22.12 C ATOM 1577 O THR A 104 13.159 1.238 -1.972 1.00 31.41 O ATOM 1578 CB THR A 104 12.082 3.339 -3.787 1.00 23.01 C ATOM 1579 OG1 THR A 104 11.046 3.991 -4.537 1.00 12.34 O ATOM 1580 CG2 THR A 104 13.435 3.860 -4.263 1.00 42.21 C ATOM 0 H THR A 104 10.265 1.825 -2.798 1.00 71.43 H new ATOM 0 HA THR A 104 12.091 1.596 -5.045 1.00 22.44 H new ATOM 0 HB THR A 104 11.975 3.554 -2.724 1.00 23.01 H new ATOM 0 HG1 THR A 104 10.313 4.238 -3.936 1.00 12.34 H new ATOM 0 HG21 THR A 104 13.482 4.939 -4.115 1.00 42.21 H new ATOM 0 HG22 THR A 104 14.231 3.381 -3.693 1.00 42.21 H new ATOM 0 HG23 THR A 104 13.560 3.633 -5.322 1.00 42.21 H new ATOM 1588 N PRO A 105 13.918 0.253 -3.851 1.00 21.25 N ATOM 1589 CA PRO A 105 15.081 -0.332 -3.192 1.00 40.21 C ATOM 1590 C PRO A 105 16.051 0.788 -2.844 1.00 42.30 C ATOM 1591 O PRO A 105 16.407 1.608 -3.719 1.00 32.41 O ATOM 1592 CB PRO A 105 15.682 -1.245 -4.269 1.00 60.24 C ATOM 1593 CG PRO A 105 14.573 -1.474 -5.236 1.00 1.42 C ATOM 1594 CD PRO A 105 13.775 -0.212 -5.237 1.00 64.04 C ATOM 0 HA PRO A 105 14.850 -0.871 -2.273 1.00 40.21 H new ATOM 0 HB2 PRO A 105 16.538 -0.775 -4.753 1.00 60.24 H new ATOM 0 HB3 PRO A 105 16.033 -2.184 -3.841 1.00 60.24 H new ATOM 0 HG2 PRO A 105 14.960 -1.694 -6.231 1.00 1.42 H new ATOM 0 HG3 PRO A 105 13.961 -2.325 -4.936 1.00 1.42 H new ATOM 0 HD2 PRO A 105 14.164 0.514 -5.951 1.00 64.04 H new ATOM 0 HD3 PRO A 105 12.732 -0.391 -5.500 1.00 64.04 H new ATOM 1602 N ASP A 106 16.477 0.835 -1.614 1.00 12.23 N ATOM 1603 CA ASP A 106 17.285 1.948 -1.152 1.00 2.43 C ATOM 1604 C ASP A 106 18.763 1.618 -1.198 1.00 60.54 C ATOM 1605 O ASP A 106 19.197 0.610 -0.636 1.00 43.30 O ATOM 1606 CB ASP A 106 16.872 2.367 0.255 1.00 3.15 C ATOM 1607 CG ASP A 106 17.637 3.571 0.758 1.00 24.32 C ATOM 1608 OD1 ASP A 106 17.243 4.703 0.454 1.00 30.24 O ATOM 1609 OD2 ASP A 106 18.618 3.409 1.491 1.00 42.11 O ATOM 0 H ASP A 106 16.284 0.123 -0.909 1.00 12.23 H new ATOM 0 HA ASP A 106 17.111 2.785 -1.828 1.00 2.43 H new ATOM 0 HB2 ASP A 106 15.805 2.591 0.264 1.00 3.15 H new ATOM 0 HB3 ASP A 106 17.028 1.532 0.938 1.00 3.15 H new ATOM 1614 N PRO A 107 19.567 2.468 -1.868 1.00 52.12 N ATOM 1615 CA PRO A 107 21.012 2.256 -2.022 1.00 61.23 C ATOM 1616 C PRO A 107 21.790 2.205 -0.693 1.00 34.23 C ATOM 1617 O PRO A 107 22.915 1.704 -0.651 1.00 54.55 O ATOM 1618 CB PRO A 107 21.476 3.443 -2.880 1.00 41.13 C ATOM 1619 CG PRO A 107 20.405 4.467 -2.737 1.00 0.12 C ATOM 1620 CD PRO A 107 19.127 3.708 -2.546 1.00 14.41 C ATOM 0 HA PRO A 107 21.207 1.283 -2.472 1.00 61.23 H new ATOM 0 HB2 PRO A 107 22.437 3.826 -2.536 1.00 41.13 H new ATOM 0 HB3 PRO A 107 21.605 3.150 -3.922 1.00 41.13 H new ATOM 0 HG2 PRO A 107 20.601 5.120 -1.887 1.00 0.12 H new ATOM 0 HG3 PRO A 107 20.353 5.102 -3.621 1.00 0.12 H new ATOM 0 HD2 PRO A 107 18.414 4.267 -1.940 1.00 14.41 H new ATOM 0 HD3 PRO A 107 18.639 3.495 -3.497 1.00 14.41 H new ATOM 1628 N SER A 108 21.199 2.679 0.382 1.00 63.20 N ATOM 1629 CA SER A 108 21.877 2.700 1.645 1.00 4.21 C ATOM 1630 C SER A 108 21.174 1.757 2.632 1.00 31.12 C ATOM 1631 O SER A 108 21.494 1.727 3.829 1.00 35.01 O ATOM 1632 CB SER A 108 21.915 4.144 2.183 1.00 3.03 C ATOM 1633 OG SER A 108 22.756 4.272 3.337 1.00 1.24 O ATOM 0 H SER A 108 20.250 3.053 0.400 1.00 63.20 H new ATOM 0 HA SER A 108 22.902 2.352 1.520 1.00 4.21 H new ATOM 0 HB2 SER A 108 22.273 4.812 1.400 1.00 3.03 H new ATOM 0 HB3 SER A 108 20.904 4.462 2.436 1.00 3.03 H new ATOM 0 HG SER A 108 22.608 3.510 3.935 1.00 1.24 H new ATOM 1639 N LEU A 109 20.236 0.979 2.146 1.00 52.15 N ATOM 1640 CA LEU A 109 19.515 0.102 3.012 1.00 42.15 C ATOM 1641 C LEU A 109 19.913 -1.338 2.828 1.00 43.44 C ATOM 1642 O LEU A 109 19.738 -1.925 1.765 1.00 24.03 O ATOM 1643 CB LEU A 109 18.017 0.259 2.863 1.00 21.45 C ATOM 1644 CG LEU A 109 17.190 -0.621 3.787 1.00 1.15 C ATOM 1645 CD1 LEU A 109 17.533 -0.348 5.244 1.00 41.42 C ATOM 1646 CD2 LEU A 109 15.717 -0.416 3.541 1.00 73.04 C ATOM 0 H LEU A 109 19.962 0.941 1.164 1.00 52.15 H new ATOM 0 HA LEU A 109 19.785 0.395 4.027 1.00 42.15 H new ATOM 0 HB2 LEU A 109 17.755 1.301 3.046 1.00 21.45 H new ATOM 0 HB3 LEU A 109 17.743 0.037 1.832 1.00 21.45 H new ATOM 0 HG LEU A 109 17.432 -1.661 3.570 1.00 1.15 H new ATOM 0 HD11 LEU A 109 16.929 -0.989 5.886 1.00 41.42 H new ATOM 0 HD12 LEU A 109 18.589 -0.556 5.414 1.00 41.42 H new ATOM 0 HD13 LEU A 109 17.327 0.697 5.477 1.00 41.42 H new ATOM 0 HD21 LEU A 109 15.144 -1.055 4.212 1.00 73.04 H new ATOM 0 HD22 LEU A 109 15.459 0.627 3.724 1.00 73.04 H new ATOM 0 HD23 LEU A 109 15.482 -0.672 2.508 1.00 73.04 H new ATOM 1658 N THR A 110 20.413 -1.897 3.867 1.00 14.15 N ATOM 1659 CA THR A 110 20.815 -3.257 3.891 1.00 1.22 C ATOM 1660 C THR A 110 19.977 -3.980 4.927 1.00 71.41 C ATOM 1661 O THR A 110 19.990 -3.639 6.107 1.00 1.14 O ATOM 1662 CB THR A 110 22.310 -3.363 4.199 1.00 42.15 C ATOM 1663 OG1 THR A 110 23.029 -2.591 3.219 1.00 63.01 O ATOM 1664 CG2 THR A 110 22.783 -4.803 4.148 1.00 2.32 C ATOM 0 H THR A 110 20.559 -1.409 4.751 1.00 14.15 H new ATOM 0 HA THR A 110 20.657 -3.720 2.917 1.00 1.22 H new ATOM 0 HB THR A 110 22.492 -2.985 5.205 1.00 42.15 H new ATOM 0 HG1 THR A 110 23.990 -2.645 3.401 1.00 63.01 H new ATOM 0 HG21 THR A 110 23.849 -4.844 4.371 1.00 2.32 H new ATOM 0 HG22 THR A 110 22.235 -5.392 4.884 1.00 2.32 H new ATOM 0 HG23 THR A 110 22.605 -5.209 3.152 1.00 2.32 H new ATOM 1672 N ILE A 111 19.222 -4.919 4.463 1.00 72.32 N ATOM 1673 CA ILE A 111 18.298 -5.648 5.271 1.00 10.24 C ATOM 1674 C ILE A 111 18.680 -7.102 5.297 1.00 23.14 C ATOM 1675 O ILE A 111 19.226 -7.630 4.346 1.00 62.11 O ATOM 1676 CB ILE A 111 16.881 -5.504 4.669 1.00 24.04 C ATOM 1677 CG1 ILE A 111 16.369 -4.075 4.762 1.00 73.55 C ATOM 1678 CG2 ILE A 111 15.877 -6.485 5.229 1.00 62.13 C ATOM 1679 CD1 ILE A 111 16.108 -3.598 6.181 1.00 51.30 C ATOM 0 H ILE A 111 19.230 -5.210 3.485 1.00 72.32 H new ATOM 0 HA ILE A 111 18.314 -5.254 6.287 1.00 10.24 H new ATOM 0 HB ILE A 111 16.990 -5.758 3.614 1.00 24.04 H new ATOM 0 HG12 ILE A 111 17.095 -3.410 4.295 1.00 73.55 H new ATOM 0 HG13 ILE A 111 15.446 -3.993 4.188 1.00 73.55 H new ATOM 0 HG21 ILE A 111 14.907 -6.322 4.758 1.00 62.13 H new ATOM 0 HG22 ILE A 111 16.211 -7.503 5.028 1.00 62.13 H new ATOM 0 HG23 ILE A 111 15.787 -6.339 6.305 1.00 62.13 H new ATOM 0 HD11 ILE A 111 15.746 -2.570 6.159 1.00 51.30 H new ATOM 0 HD12 ILE A 111 15.358 -4.237 6.648 1.00 51.30 H new ATOM 0 HD13 ILE A 111 17.033 -3.644 6.756 1.00 51.30 H new ATOM 1805 N VAL A 120 21.304 -8.371 2.833 1.00 51.22 N ATOM 1806 CA VAL A 120 21.084 -7.997 1.464 1.00 33.42 C ATOM 1807 C VAL A 120 21.095 -6.481 1.356 1.00 64.10 C ATOM 1808 O VAL A 120 20.269 -5.795 1.972 1.00 23.14 O ATOM 1809 CB VAL A 120 19.717 -8.544 0.960 1.00 2.44 C ATOM 1810 CG1 VAL A 120 19.501 -8.229 -0.512 1.00 52.41 C ATOM 1811 CG2 VAL A 120 19.611 -10.044 1.209 1.00 62.32 C ATOM 0 HA VAL A 120 21.876 -8.422 0.848 1.00 33.42 H new ATOM 0 HB VAL A 120 18.932 -8.043 1.526 1.00 2.44 H new ATOM 0 HG11 VAL A 120 18.537 -8.625 -0.831 1.00 52.41 H new ATOM 0 HG12 VAL A 120 19.516 -7.149 -0.659 1.00 52.41 H new ATOM 0 HG13 VAL A 120 20.295 -8.687 -1.102 1.00 52.41 H new ATOM 0 HG21 VAL A 120 18.648 -10.405 0.849 1.00 62.32 H new ATOM 0 HG22 VAL A 120 20.413 -10.558 0.679 1.00 62.32 H new ATOM 0 HG23 VAL A 120 19.697 -10.242 2.277 1.00 62.32 H new ATOM 1821 N SER A 121 22.027 -5.968 0.609 1.00 70.13 N ATOM 1822 CA SER A 121 22.143 -4.553 0.407 1.00 11.34 C ATOM 1823 C SER A 121 21.202 -4.126 -0.714 1.00 70.02 C ATOM 1824 O SER A 121 20.895 -4.942 -1.612 1.00 35.11 O ATOM 1825 CB SER A 121 23.592 -4.218 0.053 1.00 60.42 C ATOM 1826 OG SER A 121 24.482 -4.797 1.007 1.00 43.13 O ATOM 0 H SER A 121 22.731 -6.521 0.120 1.00 70.13 H new ATOM 0 HA SER A 121 21.868 -4.017 1.315 1.00 11.34 H new ATOM 0 HB2 SER A 121 23.825 -4.590 -0.945 1.00 60.42 H new ATOM 0 HB3 SER A 121 23.727 -3.137 0.029 1.00 60.42 H new ATOM 0 HG SER A 121 25.406 -4.576 0.768 1.00 43.13 H new ATOM 1832 N ASN A 122 20.715 -2.887 -0.630 1.00 34.25 N ATOM 1833 CA ASN A 122 19.822 -2.284 -1.622 1.00 51.45 C ATOM 1834 C ASN A 122 18.446 -2.952 -1.555 1.00 21.22 C ATOM 1835 O ASN A 122 17.800 -3.199 -2.560 1.00 10.21 O ATOM 1836 CB ASN A 122 20.465 -2.352 -3.043 1.00 21.23 C ATOM 1837 CG ASN A 122 19.710 -1.599 -4.140 1.00 73.31 C ATOM 1838 OD1 ASN A 122 20.013 -0.340 -4.299 1.00 25.11 O flip ATOM 1839 ND2 ASN A 122 18.882 -2.164 -4.851 1.00 11.11 N flip ATOM 0 H ASN A 122 20.935 -2.261 0.145 1.00 34.25 H new ATOM 0 HA ASN A 122 19.676 -1.227 -1.398 1.00 51.45 H new ATOM 0 HB2 ASN A 122 21.478 -1.955 -2.984 1.00 21.23 H new ATOM 0 HB3 ASN A 122 20.549 -3.399 -3.336 1.00 21.23 H new ATOM 0 HD21 ASN A 122 18.668 -3.150 -4.700 1.00 11.11 H new ATOM 0 HD22 ASN A 122 18.409 -1.647 -5.592 1.00 11.11 H new ATOM 1846 N ALA A 123 17.984 -3.226 -0.346 1.00 5.33 N ATOM 1847 CA ALA A 123 16.700 -3.845 -0.175 1.00 34.14 C ATOM 1848 C ALA A 123 15.594 -2.793 -0.214 1.00 12.12 C ATOM 1849 O ALA A 123 15.840 -1.601 0.020 1.00 43.23 O ATOM 1850 CB ALA A 123 16.659 -4.621 1.128 1.00 4.34 C ATOM 0 H ALA A 123 18.483 -3.027 0.521 1.00 5.33 H new ATOM 0 HA ALA A 123 16.536 -4.544 -0.995 1.00 34.14 H new ATOM 0 HB1 ALA A 123 15.680 -5.085 1.244 1.00 4.34 H new ATOM 0 HB2 ALA A 123 17.428 -5.394 1.116 1.00 4.34 H new ATOM 0 HB3 ALA A 123 16.840 -3.942 1.961 1.00 4.34 H new ATOM 1856 N ARG A 124 14.401 -3.223 -0.543 1.00 31.05 N ATOM 1857 CA ARG A 124 13.258 -2.343 -0.528 1.00 41.11 C ATOM 1858 C ARG A 124 12.437 -2.631 0.719 1.00 13.45 C ATOM 1859 O ARG A 124 12.360 -3.787 1.145 1.00 54.42 O ATOM 1860 CB ARG A 124 12.376 -2.419 -1.826 1.00 14.23 C ATOM 1861 CG ARG A 124 11.738 -3.773 -2.174 1.00 43.12 C ATOM 1862 CD ARG A 124 12.735 -4.756 -2.772 1.00 73.42 C ATOM 1863 NE ARG A 124 12.108 -6.037 -3.104 1.00 2.23 N ATOM 1864 CZ ARG A 124 12.733 -7.067 -3.690 1.00 33.02 C ATOM 1865 NH1 ARG A 124 13.980 -6.937 -4.113 1.00 54.42 N ATOM 1866 NH2 ARG A 124 12.095 -8.213 -3.873 1.00 63.03 N ATOM 0 H ARG A 124 14.195 -4.181 -0.826 1.00 31.05 H new ATOM 0 HA ARG A 124 13.631 -1.319 -0.508 1.00 41.11 H new ATOM 0 HB2 ARG A 124 11.576 -1.685 -1.732 1.00 14.23 H new ATOM 0 HB3 ARG A 124 12.993 -2.112 -2.670 1.00 14.23 H new ATOM 0 HG2 ARG A 124 11.302 -4.206 -1.274 1.00 43.12 H new ATOM 0 HG3 ARG A 124 10.922 -3.615 -2.879 1.00 43.12 H new ATOM 0 HD2 ARG A 124 13.176 -4.324 -3.670 1.00 73.42 H new ATOM 0 HD3 ARG A 124 13.549 -4.922 -2.066 1.00 73.42 H new ATOM 0 HE ARG A 124 11.122 -6.154 -2.872 1.00 2.23 H new ATOM 0 HH11 ARG A 124 14.469 -6.050 -3.993 1.00 54.42 H new ATOM 0 HH12 ARG A 124 14.452 -7.724 -4.559 1.00 54.42 H new ATOM 0 HH21 ARG A 124 11.127 -8.312 -3.568 1.00 63.03 H new ATOM 0 HH22 ARG A 124 12.572 -8.997 -4.319 1.00 63.03 H new ATOM 1880 N PRO A 125 11.842 -1.594 1.341 1.00 42.43 N ATOM 1881 CA PRO A 125 11.056 -1.727 2.583 1.00 2.45 C ATOM 1882 C PRO A 125 9.981 -2.842 2.557 1.00 52.45 C ATOM 1883 O PRO A 125 9.734 -3.477 3.577 1.00 61.42 O ATOM 1884 CB PRO A 125 10.410 -0.360 2.737 1.00 5.33 C ATOM 1885 CG PRO A 125 11.367 0.572 2.093 1.00 44.01 C ATOM 1886 CD PRO A 125 11.932 -0.175 0.916 1.00 41.13 C ATOM 0 HA PRO A 125 11.699 -2.023 3.412 1.00 2.45 H new ATOM 0 HB2 PRO A 125 9.434 -0.325 2.253 1.00 5.33 H new ATOM 0 HB3 PRO A 125 10.255 -0.109 3.786 1.00 5.33 H new ATOM 0 HG2 PRO A 125 10.868 1.487 1.773 1.00 44.01 H new ATOM 0 HG3 PRO A 125 12.156 0.865 2.786 1.00 44.01 H new ATOM 0 HD2 PRO A 125 11.358 0.011 0.008 1.00 41.13 H new ATOM 0 HD3 PRO A 125 12.961 0.119 0.709 1.00 41.13 H new ATOM 1894 N VAL A 126 9.362 -3.092 1.402 1.00 22.22 N ATOM 1895 CA VAL A 126 8.360 -4.174 1.309 1.00 35.11 C ATOM 1896 C VAL A 126 9.003 -5.536 1.590 1.00 15.14 C ATOM 1897 O VAL A 126 8.455 -6.370 2.319 1.00 54.04 O ATOM 1898 CB VAL A 126 7.645 -4.208 -0.065 1.00 54.23 C ATOM 1899 CG1 VAL A 126 6.687 -5.382 -0.149 1.00 34.33 C ATOM 1900 CG2 VAL A 126 6.887 -2.931 -0.286 1.00 31.33 C ATOM 0 H VAL A 126 9.525 -2.580 0.535 1.00 22.22 H new ATOM 0 HA VAL A 126 7.606 -3.962 2.068 1.00 35.11 H new ATOM 0 HB VAL A 126 8.406 -4.320 -0.837 1.00 54.23 H new ATOM 0 HG11 VAL A 126 6.198 -5.383 -1.123 1.00 34.33 H new ATOM 0 HG12 VAL A 126 7.240 -6.313 -0.019 1.00 34.33 H new ATOM 0 HG13 VAL A 126 5.935 -5.294 0.635 1.00 34.33 H new ATOM 0 HG21 VAL A 126 6.389 -2.967 -1.255 1.00 31.33 H new ATOM 0 HG22 VAL A 126 6.142 -2.809 0.501 1.00 31.33 H new ATOM 0 HG23 VAL A 126 7.579 -2.089 -0.265 1.00 31.33 H new ATOM 1910 N ASP A 127 10.193 -5.712 1.067 1.00 30.32 N ATOM 1911 CA ASP A 127 10.941 -6.956 1.230 1.00 41.44 C ATOM 1912 C ASP A 127 11.283 -7.120 2.705 1.00 54.42 C ATOM 1913 O ASP A 127 11.202 -8.212 3.275 1.00 63.31 O ATOM 1914 CB ASP A 127 12.228 -6.895 0.398 1.00 65.04 C ATOM 1915 CG ASP A 127 12.919 -8.227 0.261 1.00 70.15 C ATOM 1916 OD1 ASP A 127 13.703 -8.620 1.137 1.00 74.44 O ATOM 1917 OD2 ASP A 127 12.684 -8.916 -0.751 1.00 43.31 O ATOM 0 H ASP A 127 10.678 -5.004 0.516 1.00 30.32 H new ATOM 0 HA ASP A 127 10.345 -7.803 0.890 1.00 41.44 H new ATOM 0 HB2 ASP A 127 11.991 -6.514 -0.595 1.00 65.04 H new ATOM 0 HB3 ASP A 127 12.915 -6.184 0.857 1.00 65.04 H new ATOM 1922 N ALA A 128 11.595 -5.995 3.323 1.00 22.33 N ATOM 1923 CA ALA A 128 11.940 -5.929 4.720 1.00 54.32 C ATOM 1924 C ALA A 128 10.748 -6.266 5.623 1.00 24.14 C ATOM 1925 O ALA A 128 10.884 -7.035 6.563 1.00 42.03 O ATOM 1926 CB ALA A 128 12.494 -4.552 5.055 1.00 45.55 C ATOM 0 H ALA A 128 11.614 -5.089 2.854 1.00 22.33 H new ATOM 0 HA ALA A 128 12.707 -6.680 4.909 1.00 54.32 H new ATOM 0 HB1 ALA A 128 12.752 -4.511 6.113 1.00 45.55 H new ATOM 0 HB2 ALA A 128 13.385 -4.363 4.457 1.00 45.55 H new ATOM 0 HB3 ALA A 128 11.742 -3.794 4.836 1.00 45.55 H new ATOM 1932 N LEU A 129 9.578 -5.715 5.329 1.00 2.01 N ATOM 1933 CA LEU A 129 8.399 -5.944 6.170 1.00 74.54 C ATOM 1934 C LEU A 129 7.939 -7.391 6.128 1.00 11.24 C ATOM 1935 O LEU A 129 7.549 -7.949 7.151 1.00 10.13 O ATOM 1936 CB LEU A 129 7.261 -4.940 5.864 1.00 22.15 C ATOM 1937 CG LEU A 129 6.665 -4.959 4.457 1.00 65.41 C ATOM 1938 CD1 LEU A 129 5.600 -6.029 4.320 1.00 24.02 C ATOM 1939 CD2 LEU A 129 6.132 -3.594 4.063 1.00 33.14 C ATOM 0 H LEU A 129 9.415 -5.111 4.523 1.00 2.01 H new ATOM 0 HA LEU A 129 8.700 -5.753 7.200 1.00 74.54 H new ATOM 0 HB2 LEU A 129 6.454 -5.119 6.574 1.00 22.15 H new ATOM 0 HB3 LEU A 129 7.637 -3.935 6.057 1.00 22.15 H new ATOM 0 HG LEU A 129 7.470 -5.209 3.765 1.00 65.41 H new ATOM 0 HD11 LEU A 129 5.198 -6.014 3.307 1.00 24.02 H new ATOM 0 HD12 LEU A 129 6.038 -7.006 4.522 1.00 24.02 H new ATOM 0 HD13 LEU A 129 4.797 -5.837 5.032 1.00 24.02 H new ATOM 0 HD21 LEU A 129 5.715 -3.643 3.057 1.00 33.14 H new ATOM 0 HD22 LEU A 129 5.354 -3.291 4.764 1.00 33.14 H new ATOM 0 HD23 LEU A 129 6.943 -2.866 4.085 1.00 33.14 H new ATOM 1951 N HIS A 130 8.055 -8.023 4.959 1.00 13.42 N ATOM 1952 CA HIS A 130 7.661 -9.425 4.804 1.00 14.53 C ATOM 1953 C HIS A 130 8.701 -10.315 5.497 1.00 74.22 C ATOM 1954 O HIS A 130 8.463 -11.488 5.807 1.00 62.40 O ATOM 1955 CB HIS A 130 7.512 -9.785 3.306 1.00 71.05 C ATOM 1956 CG HIS A 130 6.906 -11.145 3.047 1.00 64.21 C ATOM 1957 ND1 HIS A 130 7.502 -12.137 2.297 1.00 1.30 N ATOM 1958 CD2 HIS A 130 5.715 -11.651 3.446 1.00 3.04 C ATOM 1959 CE1 HIS A 130 6.677 -13.189 2.267 1.00 20.40 C ATOM 1960 NE2 HIS A 130 5.569 -12.948 2.953 1.00 13.10 N ATOM 0 H HIS A 130 8.417 -7.589 4.109 1.00 13.42 H new ATOM 0 HA HIS A 130 6.691 -9.590 5.272 1.00 14.53 H new ATOM 0 HB2 HIS A 130 6.895 -9.028 2.823 1.00 71.05 H new ATOM 0 HB3 HIS A 130 8.494 -9.743 2.836 1.00 71.05 H new ATOM 0 HD1 HIS A 130 8.414 -12.078 1.844 1.00 1.30 H new ATOM 0 HD2 HIS A 130 4.989 -11.130 4.053 1.00 3.04 H new ATOM 0 HE1 HIS A 130 6.886 -14.114 1.751 1.00 20.40 H new ATOM 1968 N ALA A 131 9.845 -9.724 5.772 1.00 35.43 N ATOM 1969 CA ALA A 131 10.920 -10.404 6.483 1.00 23.20 C ATOM 1970 C ALA A 131 10.863 -10.079 7.975 1.00 41.12 C ATOM 1971 O ALA A 131 11.743 -10.488 8.736 1.00 64.23 O ATOM 1972 CB ALA A 131 12.281 -10.011 5.922 1.00 12.43 C ATOM 0 H ALA A 131 10.061 -8.762 5.512 1.00 35.43 H new ATOM 0 HA ALA A 131 10.785 -11.477 6.345 1.00 23.20 H new ATOM 0 HB1 ALA A 131 13.065 -10.533 6.471 1.00 12.43 H new ATOM 0 HB2 ALA A 131 12.333 -10.284 4.868 1.00 12.43 H new ATOM 0 HB3 ALA A 131 12.420 -8.935 6.026 1.00 12.43 H new ATOM 1978 N HIS A 132 9.813 -9.348 8.376 1.00 21.43 N ATOM 1979 CA HIS A 132 9.583 -8.912 9.766 1.00 1.15 C ATOM 1980 C HIS A 132 10.651 -7.939 10.251 1.00 14.15 C ATOM 1981 O HIS A 132 10.910 -7.804 11.452 1.00 31.13 O ATOM 1982 CB HIS A 132 9.374 -10.096 10.728 1.00 43.53 C ATOM 1983 CG HIS A 132 8.075 -10.817 10.490 1.00 52.15 C ATOM 1984 ND1 HIS A 132 7.972 -12.099 10.004 1.00 32.25 N ATOM 1985 CD2 HIS A 132 6.801 -10.393 10.689 1.00 10.01 C ATOM 1986 CE1 HIS A 132 6.678 -12.408 9.921 1.00 63.53 C ATOM 1987 NE2 HIS A 132 5.920 -11.407 10.326 1.00 22.23 N ATOM 0 H HIS A 132 9.085 -9.036 7.733 1.00 21.43 H new ATOM 0 HA HIS A 132 8.645 -8.357 9.765 1.00 1.15 H new ATOM 0 HB2 HIS A 132 10.200 -10.799 10.617 1.00 43.53 H new ATOM 0 HB3 HIS A 132 9.400 -9.733 11.755 1.00 43.53 H new ATOM 0 HD2 HIS A 132 6.516 -9.423 11.069 1.00 10.01 H new ATOM 0 HE1 HIS A 132 6.299 -13.356 9.568 1.00 63.53 H new ATOM 0 HE2 HIS A 132 4.901 -11.382 10.365 1.00 22.23 H new ATOM 1995 N GLN A 133 11.196 -7.201 9.297 1.00 61.45 N ATOM 1996 CA GLN A 133 12.179 -6.145 9.528 1.00 22.40 C ATOM 1997 C GLN A 133 11.458 -4.802 9.392 1.00 61.32 C ATOM 1998 O GLN A 133 12.067 -3.750 9.148 1.00 73.44 O ATOM 1999 CB GLN A 133 13.319 -6.238 8.507 1.00 41.12 C ATOM 2000 CG GLN A 133 13.995 -7.597 8.448 1.00 73.25 C ATOM 2001 CD GLN A 133 14.579 -8.030 9.771 1.00 31.10 C ATOM 2002 OE1 GLN A 133 13.919 -8.676 10.572 1.00 63.33 O ATOM 2003 NE2 GLN A 133 15.807 -7.720 9.989 1.00 41.54 N ATOM 0 H GLN A 133 10.963 -7.321 8.311 1.00 61.45 H new ATOM 0 HA GLN A 133 12.615 -6.248 10.522 1.00 22.40 H new ATOM 0 HB2 GLN A 133 12.927 -5.997 7.519 1.00 41.12 H new ATOM 0 HB3 GLN A 133 14.068 -5.483 8.746 1.00 41.12 H new ATOM 0 HG2 GLN A 133 13.271 -8.341 8.117 1.00 73.25 H new ATOM 0 HG3 GLN A 133 14.788 -7.569 7.700 1.00 73.25 H new ATOM 0 HE21 GLN A 133 16.327 -7.180 9.298 1.00 41.54 H new ATOM 0 HE22 GLN A 133 16.262 -8.014 10.853 1.00 41.54 H new ATOM 2012 N ALA A 134 10.147 -4.872 9.606 1.00 12.22 N ATOM 2013 CA ALA A 134 9.179 -3.774 9.475 1.00 51.31 C ATOM 2014 C ALA A 134 9.585 -2.533 10.263 1.00 42.44 C ATOM 2015 O ALA A 134 9.206 -1.422 9.904 1.00 41.24 O ATOM 2016 CB ALA A 134 7.790 -4.238 9.877 1.00 20.13 C ATOM 0 H ALA A 134 9.701 -5.744 9.892 1.00 12.22 H new ATOM 0 HA ALA A 134 9.167 -3.486 8.424 1.00 51.31 H new ATOM 0 HB1 ALA A 134 7.086 -3.412 9.774 1.00 20.13 H new ATOM 0 HB2 ALA A 134 7.481 -5.061 9.233 1.00 20.13 H new ATOM 0 HB3 ALA A 134 7.805 -4.575 10.914 1.00 20.13 H new ATOM 2022 N ARG A 135 10.349 -2.730 11.325 1.00 21.24 N ATOM 2023 CA ARG A 135 10.826 -1.645 12.166 1.00 23.15 C ATOM 2024 C ARG A 135 11.568 -0.569 11.346 1.00 72.14 C ATOM 2025 O ARG A 135 11.394 0.630 11.586 1.00 22.25 O ATOM 2026 CB ARG A 135 11.753 -2.201 13.234 1.00 72.53 C ATOM 2027 CG ARG A 135 13.020 -2.826 12.714 1.00 53.51 C ATOM 2028 CD ARG A 135 13.802 -3.401 13.833 1.00 55.35 C ATOM 2029 NE ARG A 135 13.189 -4.622 14.354 1.00 32.03 N ATOM 2030 CZ ARG A 135 13.712 -5.854 14.245 1.00 74.43 C ATOM 2031 NH1 ARG A 135 14.869 -6.050 13.591 1.00 73.03 N ATOM 2032 NH2 ARG A 135 13.072 -6.888 14.776 1.00 72.24 N ATOM 0 H ARG A 135 10.657 -3.653 11.630 1.00 21.24 H new ATOM 0 HA ARG A 135 9.959 -1.173 12.629 1.00 23.15 H new ATOM 0 HB2 ARG A 135 12.018 -1.396 13.919 1.00 72.53 H new ATOM 0 HB3 ARG A 135 11.209 -2.947 13.814 1.00 72.53 H new ATOM 0 HG2 ARG A 135 12.780 -3.605 11.990 1.00 53.51 H new ATOM 0 HG3 ARG A 135 13.616 -2.078 12.191 1.00 53.51 H new ATOM 0 HD2 ARG A 135 14.815 -3.619 13.494 1.00 55.35 H new ATOM 0 HD3 ARG A 135 13.885 -2.666 14.634 1.00 55.35 H new ATOM 0 HE ARG A 135 12.295 -4.531 14.837 1.00 32.03 H new ATOM 0 HH11 ARG A 135 15.358 -5.259 13.172 1.00 73.03 H new ATOM 0 HH12 ARG A 135 15.258 -6.990 13.514 1.00 73.03 H new ATOM 0 HH21 ARG A 135 12.188 -6.745 15.264 1.00 72.24 H new ATOM 0 HH22 ARG A 135 13.464 -7.826 14.696 1.00 72.24 H new ATOM 2046 N GLU A 136 12.337 -0.997 10.353 1.00 72.04 N ATOM 2047 CA GLU A 136 13.070 -0.100 9.494 1.00 2.14 C ATOM 2048 C GLU A 136 12.108 0.596 8.537 1.00 15.32 C ATOM 2049 O GLU A 136 12.288 1.748 8.194 1.00 73.14 O ATOM 2050 CB GLU A 136 14.103 -0.915 8.742 1.00 44.25 C ATOM 2051 CG GLU A 136 14.882 -0.177 7.668 1.00 13.13 C ATOM 2052 CD GLU A 136 15.728 0.974 8.174 1.00 22.02 C ATOM 2053 OE1 GLU A 136 16.686 0.732 8.929 1.00 61.10 O ATOM 2054 OE2 GLU A 136 15.496 2.138 7.770 1.00 40.33 O ATOM 0 H GLU A 136 12.465 -1.983 10.127 1.00 72.04 H new ATOM 0 HA GLU A 136 13.573 0.673 10.075 1.00 2.14 H new ATOM 0 HB2 GLU A 136 14.813 -1.320 9.464 1.00 44.25 H new ATOM 0 HB3 GLU A 136 13.600 -1.764 8.279 1.00 44.25 H new ATOM 0 HG2 GLU A 136 15.530 -0.888 7.156 1.00 13.13 H new ATOM 0 HG3 GLU A 136 14.180 0.205 6.927 1.00 13.13 H new ATOM 2061 N VAL A 137 11.064 -0.110 8.173 1.00 33.51 N ATOM 2062 CA VAL A 137 10.060 0.385 7.252 1.00 1.34 C ATOM 2063 C VAL A 137 9.291 1.527 7.901 1.00 61.33 C ATOM 2064 O VAL A 137 9.139 2.601 7.312 1.00 75.45 O ATOM 2065 CB VAL A 137 9.086 -0.747 6.855 1.00 10.02 C ATOM 2066 CG1 VAL A 137 8.045 -0.269 5.851 1.00 42.55 C ATOM 2067 CG2 VAL A 137 9.863 -1.934 6.317 1.00 32.43 C ATOM 0 H VAL A 137 10.883 -1.055 8.510 1.00 33.51 H new ATOM 0 HA VAL A 137 10.556 0.747 6.351 1.00 1.34 H new ATOM 0 HB VAL A 137 8.544 -1.059 7.748 1.00 10.02 H new ATOM 0 HG11 VAL A 137 7.379 -1.094 5.597 1.00 42.55 H new ATOM 0 HG12 VAL A 137 7.465 0.544 6.287 1.00 42.55 H new ATOM 0 HG13 VAL A 137 8.545 0.085 4.949 1.00 42.55 H new ATOM 0 HG21 VAL A 137 9.169 -2.728 6.039 1.00 32.43 H new ATOM 0 HG22 VAL A 137 10.434 -1.628 5.440 1.00 32.43 H new ATOM 0 HG23 VAL A 137 10.545 -2.300 7.084 1.00 32.43 H new ATOM 2077 N VAL A 138 8.850 1.303 9.133 1.00 54.31 N ATOM 2078 CA VAL A 138 8.140 2.322 9.895 1.00 33.41 C ATOM 2079 C VAL A 138 9.063 3.519 10.119 1.00 42.41 C ATOM 2080 O VAL A 138 8.672 4.657 9.934 1.00 5.15 O ATOM 2081 CB VAL A 138 7.638 1.775 11.266 1.00 12.55 C ATOM 2082 CG1 VAL A 138 6.876 2.845 12.042 1.00 34.20 C ATOM 2083 CG2 VAL A 138 6.758 0.546 11.064 1.00 73.35 C ATOM 0 H VAL A 138 8.973 0.419 9.628 1.00 54.31 H new ATOM 0 HA VAL A 138 7.264 2.626 9.322 1.00 33.41 H new ATOM 0 HB VAL A 138 8.513 1.489 11.850 1.00 12.55 H new ATOM 0 HG11 VAL A 138 6.539 2.434 12.993 1.00 34.20 H new ATOM 0 HG12 VAL A 138 7.531 3.696 12.227 1.00 34.20 H new ATOM 0 HG13 VAL A 138 6.013 3.171 11.461 1.00 34.20 H new ATOM 0 HG21 VAL A 138 6.418 0.179 12.032 1.00 73.35 H new ATOM 0 HG22 VAL A 138 5.895 0.813 10.453 1.00 73.35 H new ATOM 0 HG23 VAL A 138 7.331 -0.233 10.562 1.00 73.35 H new ATOM 2093 N ARG A 139 10.305 3.229 10.452 1.00 30.44 N ATOM 2094 CA ARG A 139 11.328 4.246 10.681 1.00 32.40 C ATOM 2095 C ARG A 139 11.598 5.066 9.398 1.00 52.33 C ATOM 2096 O ARG A 139 11.768 6.288 9.448 1.00 54.15 O ATOM 2097 CB ARG A 139 12.592 3.548 11.253 1.00 3.53 C ATOM 2098 CG ARG A 139 13.845 4.392 11.444 1.00 62.02 C ATOM 2099 CD ARG A 139 14.660 4.501 10.165 1.00 64.30 C ATOM 2100 NE ARG A 139 15.908 5.210 10.389 1.00 43.10 N ATOM 2101 CZ ARG A 139 17.071 4.914 9.803 1.00 73.14 C ATOM 2102 NH1 ARG A 139 17.164 3.910 8.938 1.00 34.35 N ATOM 2103 NH2 ARG A 139 18.144 5.612 10.091 1.00 21.11 N ATOM 0 H ARG A 139 10.642 2.274 10.574 1.00 30.44 H new ATOM 0 HA ARG A 139 10.986 4.976 11.414 1.00 32.40 H new ATOM 0 HB2 ARG A 139 12.328 3.117 12.219 1.00 3.53 H new ATOM 0 HB3 ARG A 139 12.844 2.719 10.592 1.00 3.53 H new ATOM 0 HG2 ARG A 139 13.562 5.390 11.780 1.00 62.02 H new ATOM 0 HG3 ARG A 139 14.461 3.954 12.230 1.00 62.02 H new ATOM 0 HD2 ARG A 139 14.871 3.503 9.780 1.00 64.30 H new ATOM 0 HD3 ARG A 139 14.077 5.019 9.404 1.00 64.30 H new ATOM 0 HE ARG A 139 15.895 5.993 11.043 1.00 43.10 H new ATOM 0 HH11 ARG A 139 16.340 3.353 8.713 1.00 34.35 H new ATOM 0 HH12 ARG A 139 18.060 3.697 8.499 1.00 34.35 H new ATOM 0 HH21 ARG A 139 18.089 6.379 10.761 1.00 21.11 H new ATOM 0 HH22 ARG A 139 19.033 5.388 9.645 1.00 21.11 H new ATOM 2117 N ARG A 140 11.608 4.388 8.264 1.00 4.45 N ATOM 2118 CA ARG A 140 11.811 5.016 6.959 1.00 0.00 C ATOM 2119 C ARG A 140 10.642 5.956 6.670 1.00 12.01 C ATOM 2120 O ARG A 140 10.817 7.062 6.133 1.00 50.32 O ATOM 2121 CB ARG A 140 11.886 3.922 5.878 1.00 11.30 C ATOM 2122 CG ARG A 140 12.331 4.383 4.492 1.00 72.02 C ATOM 2123 CD ARG A 140 13.755 4.930 4.513 1.00 4.01 C ATOM 2124 NE ARG A 140 14.704 3.988 5.145 1.00 70.52 N ATOM 2125 CZ ARG A 140 15.941 3.705 4.714 1.00 60.02 C ATOM 2126 NH1 ARG A 140 16.406 4.217 3.567 1.00 14.11 N ATOM 2127 NH2 ARG A 140 16.699 2.900 5.444 1.00 73.34 N ATOM 0 H ARG A 140 11.475 3.378 8.217 1.00 4.45 H new ATOM 0 HA ARG A 140 12.740 5.586 6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 140 12.572 3.147 6.220 1.00 11.30 H new ATOM 0 HB3 ARG A 140 10.903 3.460 5.788 1.00 11.30 H new ATOM 0 HG2 ARG A 140 12.271 3.548 3.794 1.00 72.02 H new ATOM 0 HG3 ARG A 140 11.650 5.152 4.128 1.00 72.02 H new ATOM 0 HD2 ARG A 140 14.078 5.139 3.493 1.00 4.01 H new ATOM 0 HD3 ARG A 140 13.771 5.877 5.053 1.00 4.01 H new ATOM 0 HE ARG A 140 14.387 3.509 5.988 1.00 70.52 H new ATOM 0 HH11 ARG A 140 15.816 4.833 3.007 1.00 14.11 H new ATOM 0 HH12 ARG A 140 17.350 3.991 3.253 1.00 14.11 H new ATOM 0 HH21 ARG A 140 16.338 2.510 6.314 1.00 73.34 H new ATOM 0 HH22 ARG A 140 17.644 2.671 5.136 1.00 73.34 H new ATOM 2141 N ALA A 141 9.462 5.508 7.056 1.00 75.53 N ATOM 2142 CA ALA A 141 8.241 6.260 6.905 1.00 12.12 C ATOM 2143 C ALA A 141 8.237 7.467 7.832 1.00 71.54 C ATOM 2144 O ALA A 141 7.771 8.532 7.458 1.00 3.23 O ATOM 2145 CB ALA A 141 7.060 5.377 7.198 1.00 44.22 C ATOM 0 H ALA A 141 9.328 4.595 7.490 1.00 75.53 H new ATOM 0 HA ALA A 141 8.175 6.617 5.877 1.00 12.12 H new ATOM 0 HB1 ALA A 141 6.140 5.950 7.083 1.00 44.22 H new ATOM 0 HB2 ALA A 141 7.053 4.536 6.504 1.00 44.22 H new ATOM 0 HB3 ALA A 141 7.129 5.004 8.220 1.00 44.22 H new ATOM 2151 N GLN A 142 8.757 7.289 9.044 1.00 73.25 N ATOM 2152 CA GLN A 142 8.883 8.383 10.013 1.00 11.43 C ATOM 2153 C GLN A 142 9.734 9.498 9.439 1.00 33.23 C ATOM 2154 O GLN A 142 9.322 10.654 9.428 1.00 62.52 O ATOM 2155 CB GLN A 142 9.497 7.893 11.318 1.00 74.12 C ATOM 2156 CG GLN A 142 8.647 6.889 12.069 1.00 14.22 C ATOM 2157 CD GLN A 142 9.354 6.335 13.285 1.00 62.15 C ATOM 2158 OE1 GLN A 142 10.584 6.229 13.314 1.00 63.31 O ATOM 2159 NE2 GLN A 142 8.602 5.971 14.283 1.00 51.33 N ATOM 0 H GLN A 142 9.101 6.391 9.384 1.00 73.25 H new ATOM 0 HA GLN A 142 7.882 8.761 10.221 1.00 11.43 H new ATOM 0 HB2 GLN A 142 10.466 7.442 11.103 1.00 74.12 H new ATOM 0 HB3 GLN A 142 9.681 8.751 11.964 1.00 74.12 H new ATOM 0 HG2 GLN A 142 7.716 7.364 12.378 1.00 14.22 H new ATOM 0 HG3 GLN A 142 8.381 6.070 11.401 1.00 14.22 H new ATOM 0 HE21 GLN A 142 7.589 6.074 14.222 1.00 51.33 H new ATOM 0 HE22 GLN A 142 9.026 5.583 15.126 1.00 51.33 H new ATOM 2168 N ALA A 143 10.891 9.124 8.911 1.00 11.34 N ATOM 2169 CA ALA A 143 11.825 10.065 8.286 1.00 44.35 C ATOM 2170 C ALA A 143 11.219 10.690 7.026 1.00 41.13 C ATOM 2171 O ALA A 143 11.629 11.767 6.581 1.00 72.55 O ATOM 2172 CB ALA A 143 13.117 9.347 7.935 1.00 34.13 C ATOM 0 H ALA A 143 11.214 8.157 8.901 1.00 11.34 H new ATOM 0 HA ALA A 143 12.032 10.865 8.997 1.00 44.35 H new ATOM 0 HB1 ALA A 143 13.809 10.049 7.471 1.00 34.13 H new ATOM 0 HB2 ALA A 143 13.566 8.941 8.842 1.00 34.13 H new ATOM 0 HB3 ALA A 143 12.904 8.534 7.240 1.00 34.13 H new ATOM 2178 N MET A 144 10.269 10.002 6.436 1.00 64.44 N ATOM 2179 CA MET A 144 9.597 10.500 5.248 1.00 65.50 C ATOM 2180 C MET A 144 8.477 11.455 5.639 1.00 62.11 C ATOM 2181 O MET A 144 8.152 12.386 4.914 1.00 20.24 O ATOM 2182 CB MET A 144 9.028 9.341 4.423 1.00 13.42 C ATOM 2183 CG MET A 144 8.284 9.719 3.129 1.00 4.31 C ATOM 2184 SD MET A 144 9.340 10.248 1.733 1.00 70.03 S ATOM 2185 CE MET A 144 9.872 11.903 2.188 1.00 72.40 C ATOM 0 H MET A 144 9.940 9.092 6.757 1.00 64.44 H new ATOM 0 HA MET A 144 10.327 11.035 4.641 1.00 65.50 H new ATOM 0 HB2 MET A 144 9.849 8.673 4.162 1.00 13.42 H new ATOM 0 HB3 MET A 144 8.345 8.775 5.056 1.00 13.42 H new ATOM 0 HG2 MET A 144 7.692 8.862 2.808 1.00 4.31 H new ATOM 0 HG3 MET A 144 7.584 10.523 3.356 1.00 4.31 H new ATOM 0 HE1 MET A 144 9.998 12.505 1.288 1.00 72.40 H new ATOM 0 HE2 MET A 144 9.121 12.363 2.830 1.00 72.40 H new ATOM 0 HE3 MET A 144 10.821 11.846 2.722 1.00 72.40 H new ATOM 2195 N ALA A 145 7.894 11.220 6.776 1.00 63.34 N ATOM 2196 CA ALA A 145 6.798 12.019 7.236 1.00 44.35 C ATOM 2197 C ALA A 145 7.277 13.274 7.937 1.00 14.21 C ATOM 2198 O ALA A 145 6.887 14.379 7.568 1.00 72.13 O ATOM 2199 CB ALA A 145 5.870 11.206 8.123 1.00 65.22 C ATOM 0 H ALA A 145 8.165 10.469 7.411 1.00 63.34 H new ATOM 0 HA ALA A 145 6.231 12.338 6.362 1.00 44.35 H new ATOM 0 HB1 ALA A 145 5.046 11.834 8.460 1.00 65.22 H new ATOM 0 HB2 ALA A 145 5.475 10.361 7.559 1.00 65.22 H new ATOM 0 HB3 ALA A 145 6.423 10.838 8.988 1.00 65.22 H new ATOM 2205 N TYR A 146 8.122 13.109 8.923 1.00 21.41 N ATOM 2206 CA TYR A 146 8.612 14.216 9.706 1.00 1.02 C ATOM 2207 C TYR A 146 10.116 14.121 9.789 1.00 22.05 C ATOM 2208 O TYR A 146 10.631 13.493 10.726 1.00 37.60 O ATOM 2209 CB TYR A 146 7.989 14.214 11.123 1.00 1.11 C ATOM 2210 CG TYR A 146 6.479 14.321 11.144 1.00 63.41 C ATOM 2211 CD1 TYR A 146 5.685 13.186 11.056 1.00 44.24 C ATOM 2212 CD2 TYR A 146 5.847 15.552 11.238 1.00 74.52 C ATOM 2213 CE1 TYR A 146 4.317 13.274 11.055 1.00 50.42 C ATOM 2214 CE2 TYR A 146 4.468 15.644 11.244 1.00 15.51 C ATOM 2215 CZ TYR A 146 3.712 14.498 11.150 1.00 12.20 C ATOM 2216 OH TYR A 146 2.346 14.573 11.151 1.00 22.54 O ATOM 2217 OXT TYR A 146 10.802 14.647 8.896 1.00 37.60 O ATOM 0 H TYR A 146 8.491 12.201 9.206 1.00 21.41 H new ATOM 0 HA TYR A 146 8.326 15.152 9.225 1.00 1.02 H new ATOM 0 HB2 TYR A 146 8.283 13.297 11.634 1.00 1.11 H new ATOM 0 HB3 TYR A 146 8.408 15.044 11.692 1.00 1.11 H new ATOM 0 HD1 TYR A 146 6.154 12.215 10.987 1.00 44.24 H new ATOM 0 HD2 TYR A 146 6.441 16.451 11.307 1.00 74.52 H new ATOM 0 HE1 TYR A 146 3.718 12.379 10.979 1.00 50.42 H new ATOM 0 HE2 TYR A 146 3.987 16.608 11.322 1.00 15.51 H new ATOM 0 HH TYR A 146 1.975 13.779 11.590 1.00 22.54 H new