USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 841 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 125 ASN : amide:sc= 0.428 K(o=1.3,f=0.45) USER MOD Set 1.2: A 126 ASN : amide:sc= 0.878 K(o=1.3,f=-1.5) USER MOD Set 2.1: A 75 LYS NZ :NH3+ -178:sc= 2.34 (180deg=1.08) USER MOD Set 2.2: A 77 TYR OH : rot -15:sc= 0.773 USER MOD Set 3.1: A 69 GLN : amide:sc= 0.606 K(o=0.61,f=-0.0093) USER MOD Set 3.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 22 MET CE :methyl -157:sc=-0.00825 (180deg=-0.226) USER MOD Set 4.2: A 71 THR OG1 : rot -170:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -3.85! K(o=-3.9!,f=-0.42) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -76:sc= 1.19 USER MOD Single : A 37 SER OG : rot -30:sc= 0.406 USER MOD Single : A 38 CYS SG : rot 92:sc= -3.56! USER MOD Single : A 39 ASN : amide:sc=-0.00593 X(o=-0.0059,f=-0.12) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.687 K(o=-0.69,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= 0.46! (180deg=0.307!) USER MOD Single : A 80 ASN : amide:sc= 0.596 K(o=0.6,f=-5.5!) USER MOD Single : A 84 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.1!) USER MOD Single : A 85 GLN : amide:sc= 0.112 K(o=0.11,f=-3.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.58) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 78:sc= 0.259 USER MOD Single : A 101 MET CE :methyl -168:sc= -0.0735 (180deg=-0.523) USER MOD Single : A 103 LYS NZ :NH3+ -122:sc= 1.22 (180deg=-0.378) USER MOD Single : A 104 ASN : amide:sc= -0.556 K(o=-0.56,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= -0.052 (180deg=-0.272) USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0646) USER MOD Single : A 109 SER OG : rot 140:sc= 0.00424 USER MOD Single : A 110 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.81) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -169:sc= -0.0254 (180deg=-0.224) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -3.05! K(o=-3.1!,f=-0.84) USER MOD Single : A 128 ASN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 307 N MET A 22 -6.374 -27.321 -11.436 1.00 71.32 N ATOM 308 CA MET A 22 -5.672 -28.591 -11.620 1.00 14.44 C ATOM 309 C MET A 22 -6.609 -29.660 -12.162 1.00 34.21 C ATOM 310 O MET A 22 -6.233 -30.829 -12.277 1.00 25.22 O ATOM 311 CB MET A 22 -5.061 -29.046 -10.292 1.00 32.01 C ATOM 312 CG MET A 22 -4.177 -27.992 -9.642 1.00 64.35 C ATOM 313 SD MET A 22 -2.783 -27.493 -10.674 1.00 62.34 S ATOM 314 CE MET A 22 -1.809 -28.995 -10.676 1.00 41.55 C ATOM 0 HA MET A 22 -4.875 -28.440 -12.348 1.00 14.44 H new ATOM 0 HB2 MET A 22 -5.863 -29.312 -9.604 1.00 32.01 H new ATOM 0 HB3 MET A 22 -4.474 -29.949 -10.461 1.00 32.01 H new ATOM 0 HG2 MET A 22 -4.781 -27.115 -9.410 1.00 64.35 H new ATOM 0 HG3 MET A 22 -3.799 -28.378 -8.695 1.00 64.35 H new ATOM 0 HE1 MET A 22 -0.770 -28.754 -10.900 1.00 41.55 H new ATOM 0 HE2 MET A 22 -1.868 -29.468 -9.696 1.00 41.55 H new ATOM 0 HE3 MET A 22 -2.195 -29.678 -11.433 1.00 41.55 H new ATOM 324 N ILE A 23 -7.827 -29.254 -12.501 1.00 11.52 N ATOM 325 CA ILE A 23 -8.808 -30.170 -13.064 1.00 62.20 C ATOM 326 C ILE A 23 -8.688 -30.154 -14.584 1.00 11.52 C ATOM 327 O ILE A 23 -9.163 -29.223 -15.238 1.00 51.53 O ATOM 328 CB ILE A 23 -10.260 -29.794 -12.658 1.00 4.53 C ATOM 329 CG1 ILE A 23 -10.324 -29.344 -11.184 1.00 14.53 C ATOM 330 CG2 ILE A 23 -11.198 -30.977 -12.903 1.00 3.25 C ATOM 331 CD1 ILE A 23 -9.900 -30.401 -10.185 1.00 12.43 C ATOM 0 H ILE A 23 -8.158 -28.295 -12.395 1.00 11.52 H new ATOM 0 HA ILE A 23 -8.603 -31.165 -12.670 1.00 62.20 H new ATOM 0 HB ILE A 23 -10.584 -28.957 -13.276 1.00 4.53 H new ATOM 0 HG12 ILE A 23 -9.689 -28.467 -11.057 1.00 14.53 H new ATOM 0 HG13 ILE A 23 -11.344 -29.035 -10.956 1.00 14.53 H new ATOM 0 HG21 ILE A 23 -12.213 -30.702 -12.615 1.00 3.25 H new ATOM 0 HG22 ILE A 23 -11.180 -31.243 -13.960 1.00 3.25 H new ATOM 0 HG23 ILE A 23 -10.871 -31.830 -12.309 1.00 3.25 H new ATOM 0 HD11 ILE A 23 -9.976 -29.998 -9.175 1.00 12.43 H new ATOM 0 HD12 ILE A 23 -10.549 -31.271 -10.279 1.00 12.43 H new ATOM 0 HD13 ILE A 23 -8.869 -30.695 -10.382 1.00 12.43 H new ATOM 343 N GLU A 24 -8.025 -31.161 -15.141 1.00 63.12 N ATOM 344 CA GLU A 24 -7.767 -31.196 -16.575 1.00 10.03 C ATOM 345 C GLU A 24 -8.853 -31.994 -17.299 1.00 51.50 C ATOM 346 O GLU A 24 -8.980 -33.206 -17.120 1.00 10.23 O ATOM 347 CB GLU A 24 -6.372 -31.780 -16.850 1.00 41.42 C ATOM 348 CG GLU A 24 -5.955 -31.730 -18.319 1.00 40.21 C ATOM 349 CD GLU A 24 -4.458 -31.925 -18.510 1.00 32.25 C ATOM 350 OE1 GLU A 24 -3.729 -30.914 -18.615 1.00 35.10 O ATOM 351 OE2 GLU A 24 -3.997 -33.083 -18.535 1.00 70.14 O1- ATOM 0 H GLU A 24 -7.658 -31.960 -14.624 1.00 63.12 H new ATOM 0 HA GLU A 24 -7.791 -30.177 -16.960 1.00 10.03 H new ATOM 0 HB2 GLU A 24 -5.638 -31.235 -16.256 1.00 41.42 H new ATOM 0 HB3 GLU A 24 -6.350 -32.816 -16.512 1.00 41.42 H new ATOM 0 HG2 GLU A 24 -6.491 -32.501 -18.871 1.00 40.21 H new ATOM 0 HG3 GLU A 24 -6.250 -30.770 -18.744 1.00 40.21 H new ATOM 358 N GLN A 25 -9.649 -31.291 -18.097 1.00 3.42 N ATOM 359 CA GLN A 25 -10.713 -31.910 -18.877 1.00 70.21 C ATOM 360 C GLN A 25 -10.118 -32.712 -20.032 1.00 62.55 C ATOM 361 O GLN A 25 -9.249 -32.216 -20.756 1.00 71.41 O ATOM 362 CB GLN A 25 -11.689 -30.848 -19.418 1.00 35.52 C ATOM 363 CG GLN A 25 -12.510 -30.137 -18.339 1.00 35.52 C ATOM 364 CD GLN A 25 -11.686 -29.255 -17.408 1.00 34.41 C ATOM 365 OE1 GLN A 25 -12.018 -29.098 -16.234 1.00 41.35 O ATOM 366 NE2 GLN A 25 -10.622 -28.654 -17.925 1.00 13.53 N ATOM 0 H GLN A 25 -9.575 -30.281 -18.221 1.00 3.42 H new ATOM 0 HA GLN A 25 -11.268 -32.583 -18.223 1.00 70.21 H new ATOM 0 HB2 GLN A 25 -11.123 -30.103 -19.977 1.00 35.52 H new ATOM 0 HB3 GLN A 25 -12.371 -31.324 -20.122 1.00 35.52 H new ATOM 0 HG2 GLN A 25 -13.272 -29.525 -18.822 1.00 35.52 H new ATOM 0 HG3 GLN A 25 -13.033 -30.886 -17.744 1.00 35.52 H new ATOM 0 HE21 GLN A 25 -10.375 -28.806 -18.903 1.00 13.53 H new ATOM 0 HE22 GLN A 25 -10.051 -28.040 -17.345 1.00 13.53 H new ATOM 375 N ILE A 26 -10.584 -33.945 -20.193 1.00 73.45 N ATOM 376 CA ILE A 26 -10.096 -34.832 -21.244 1.00 30.23 C ATOM 377 C ILE A 26 -11.268 -35.445 -22.002 1.00 44.22 C ATOM 378 O ILE A 26 -12.358 -35.599 -21.448 1.00 73.54 O ATOM 379 CB ILE A 26 -9.204 -35.967 -20.675 1.00 32.02 C ATOM 380 CG1 ILE A 26 -9.985 -36.807 -19.648 1.00 24.53 C ATOM 381 CG2 ILE A 26 -7.930 -35.388 -20.055 1.00 54.44 C ATOM 382 CD1 ILE A 26 -9.214 -37.997 -19.113 1.00 35.42 C ATOM 0 H ILE A 26 -11.307 -34.357 -19.603 1.00 73.45 H new ATOM 0 HA ILE A 26 -9.490 -34.229 -21.920 1.00 30.23 H new ATOM 0 HB ILE A 26 -8.913 -36.623 -21.495 1.00 32.02 H new ATOM 0 HG12 ILE A 26 -10.272 -36.167 -18.813 1.00 24.53 H new ATOM 0 HG13 ILE A 26 -10.907 -37.162 -20.109 1.00 24.53 H new ATOM 0 HG21 ILE A 26 -7.316 -36.198 -19.661 1.00 54.44 H new ATOM 0 HG22 ILE A 26 -7.369 -34.845 -20.816 1.00 54.44 H new ATOM 0 HG23 ILE A 26 -8.196 -34.708 -19.246 1.00 54.44 H new ATOM 0 HD11 ILE A 26 -9.831 -38.538 -18.396 1.00 35.42 H new ATOM 0 HD12 ILE A 26 -8.950 -38.660 -19.937 1.00 35.42 H new ATOM 0 HD13 ILE A 26 -8.305 -37.650 -18.621 1.00 35.42 H new ATOM 394 N GLY A 27 -11.042 -35.780 -23.264 1.00 62.23 N ATOM 395 CA GLY A 27 -12.084 -36.368 -24.081 1.00 35.05 C ATOM 396 C GLY A 27 -12.233 -37.858 -23.844 1.00 75.43 C ATOM 397 O GLY A 27 -11.351 -38.491 -23.257 1.00 55.43 O ATOM 0 H GLY A 27 -10.149 -35.654 -23.740 1.00 62.23 H new ATOM 0 HA2 GLY A 27 -13.031 -35.873 -23.869 1.00 35.05 H new ATOM 0 HA3 GLY A 27 -11.860 -36.191 -25.133 1.00 35.05 H new ATOM 401 N ASP A 28 -13.347 -38.414 -24.315 1.00 55.22 N ATOM 402 CA ASP A 28 -13.641 -39.844 -24.179 1.00 30.13 C ATOM 403 C ASP A 28 -12.469 -40.705 -24.658 1.00 31.43 C ATOM 404 O ASP A 28 -12.145 -41.732 -24.054 1.00 52.43 O ATOM 405 CB ASP A 28 -14.909 -40.185 -24.974 1.00 2.44 C ATOM 406 CG ASP A 28 -15.222 -41.674 -24.990 1.00 31.34 C ATOM 407 OD1 ASP A 28 -15.740 -42.194 -23.979 1.00 33.35 O ATOM 408 OD2 ASP A 28 -14.967 -42.333 -26.023 1.00 65.03 O1- ATOM 0 H ASP A 28 -14.073 -37.888 -24.802 1.00 55.22 H new ATOM 0 HA ASP A 28 -13.801 -40.062 -23.123 1.00 30.13 H new ATOM 0 HB2 ASP A 28 -15.755 -39.647 -24.546 1.00 2.44 H new ATOM 0 HB3 ASP A 28 -14.793 -39.833 -25.999 1.00 2.44 H new ATOM 413 N SER A 29 -11.832 -40.274 -25.741 1.00 43.14 N ATOM 414 CA SER A 29 -10.688 -40.983 -26.302 1.00 21.41 C ATOM 415 C SER A 29 -9.465 -40.834 -25.393 1.00 74.42 C ATOM 416 O SER A 29 -8.682 -41.772 -25.217 1.00 31.25 O ATOM 417 CB SER A 29 -10.378 -40.430 -27.699 1.00 13.32 C ATOM 418 OG SER A 29 -11.569 -40.271 -28.455 1.00 44.32 O ATOM 0 H SER A 29 -12.091 -39.430 -26.251 1.00 43.14 H new ATOM 0 HA SER A 29 -10.931 -42.043 -26.378 1.00 21.41 H new ATOM 0 HB2 SER A 29 -9.868 -39.471 -27.610 1.00 13.32 H new ATOM 0 HB3 SER A 29 -9.699 -41.105 -28.220 1.00 13.32 H new ATOM 0 HG SER A 29 -11.349 -39.916 -29.341 1.00 44.32 H new ATOM 424 N GLU A 30 -9.325 -39.650 -24.797 1.00 44.24 N ATOM 425 CA GLU A 30 -8.176 -39.340 -23.951 1.00 41.13 C ATOM 426 C GLU A 30 -8.290 -40.021 -22.593 1.00 44.35 C ATOM 427 O GLU A 30 -7.318 -40.070 -21.847 1.00 55.03 O ATOM 428 CB GLU A 30 -8.035 -37.823 -23.751 1.00 34.32 C ATOM 429 CG GLU A 30 -7.802 -37.043 -25.038 1.00 30.32 C ATOM 430 CD GLU A 30 -7.645 -35.546 -24.800 1.00 70.04 C ATOM 431 OE1 GLU A 30 -8.675 -34.858 -24.634 1.00 75.54 O ATOM 432 OE2 GLU A 30 -6.497 -35.052 -24.782 1.00 72.31 O1- ATOM 0 H GLU A 30 -9.997 -38.888 -24.886 1.00 44.24 H new ATOM 0 HA GLU A 30 -7.289 -39.718 -24.460 1.00 41.13 H new ATOM 0 HB2 GLU A 30 -8.937 -37.446 -23.269 1.00 34.32 H new ATOM 0 HB3 GLU A 30 -7.206 -37.633 -23.069 1.00 34.32 H new ATOM 0 HG2 GLU A 30 -6.908 -37.424 -25.532 1.00 30.32 H new ATOM 0 HG3 GLU A 30 -8.638 -37.213 -25.717 1.00 30.32 H new ATOM 439 N PHE A 31 -9.474 -40.534 -22.264 1.00 52.35 N ATOM 440 CA PHE A 31 -9.684 -41.180 -20.971 1.00 4.33 C ATOM 441 C PHE A 31 -8.684 -42.321 -20.767 1.00 54.44 C ATOM 442 O PHE A 31 -7.837 -42.262 -19.869 1.00 42.52 O ATOM 443 CB PHE A 31 -11.122 -41.704 -20.857 1.00 52.22 C ATOM 444 CG PHE A 31 -11.416 -42.381 -19.537 1.00 11.55 C ATOM 445 CD1 PHE A 31 -11.629 -43.753 -19.475 1.00 31.15 C ATOM 446 CD2 PHE A 31 -11.478 -41.645 -18.359 1.00 33.32 C ATOM 447 CE1 PHE A 31 -11.894 -44.375 -18.270 1.00 3.32 C ATOM 448 CE2 PHE A 31 -11.743 -42.265 -17.152 1.00 65.25 C ATOM 449 CZ PHE A 31 -11.952 -43.630 -17.108 1.00 11.43 C ATOM 0 H PHE A 31 -10.295 -40.515 -22.869 1.00 52.35 H new ATOM 0 HA PHE A 31 -9.523 -40.437 -20.190 1.00 4.33 H new ATOM 0 HB2 PHE A 31 -11.814 -40.873 -20.992 1.00 52.22 H new ATOM 0 HB3 PHE A 31 -11.308 -42.409 -21.667 1.00 52.22 H new ATOM 0 HD1 PHE A 31 -11.587 -44.340 -20.380 1.00 31.15 H new ATOM 0 HD2 PHE A 31 -11.317 -40.577 -18.387 1.00 33.32 H new ATOM 0 HE1 PHE A 31 -12.056 -45.442 -18.237 1.00 3.32 H new ATOM 0 HE2 PHE A 31 -11.787 -41.682 -16.244 1.00 65.25 H new ATOM 0 HZ PHE A 31 -12.161 -44.114 -16.166 1.00 11.43 H new ATOM 459 N ASP A 32 -8.752 -43.330 -21.635 1.00 24.45 N ATOM 460 CA ASP A 32 -7.837 -44.470 -21.566 1.00 14.44 C ATOM 461 C ASP A 32 -6.391 -43.998 -21.640 1.00 54.45 C ATOM 462 O ASP A 32 -5.550 -44.402 -20.836 1.00 73.42 O ATOM 463 CB ASP A 32 -8.119 -45.466 -22.705 1.00 2.53 C ATOM 464 CG ASP A 32 -7.000 -46.487 -22.886 1.00 22.33 C ATOM 465 OD1 ASP A 32 -6.171 -46.310 -23.809 1.00 54.10 O ATOM 466 OD2 ASP A 32 -6.938 -47.467 -22.113 1.00 35.01 O1- ATOM 0 H ASP A 32 -9.431 -43.382 -22.394 1.00 24.45 H new ATOM 0 HA ASP A 32 -7.998 -44.974 -20.613 1.00 14.44 H new ATOM 0 HB2 ASP A 32 -9.053 -45.989 -22.501 1.00 2.53 H new ATOM 0 HB3 ASP A 32 -8.258 -44.917 -23.636 1.00 2.53 H new ATOM 471 N ASN A 33 -6.121 -43.125 -22.602 1.00 43.22 N ATOM 472 CA ASN A 33 -4.776 -42.608 -22.832 1.00 4.32 C ATOM 473 C ASN A 33 -4.192 -42.006 -21.554 1.00 12.24 C ATOM 474 O ASN A 33 -3.160 -42.458 -21.060 1.00 43.20 O ATOM 475 CB ASN A 33 -4.813 -41.551 -23.944 1.00 4.00 C ATOM 476 CG ASN A 33 -3.469 -40.868 -24.155 1.00 1.45 C ATOM 477 OD1 ASN A 33 -3.189 -39.828 -23.557 1.00 34.52 O ATOM 478 ND2 ASN A 33 -2.629 -41.448 -24.998 1.00 23.04 N ATOM 0 H ASN A 33 -6.824 -42.756 -23.243 1.00 43.22 H new ATOM 0 HA ASN A 33 -4.136 -43.435 -23.138 1.00 4.32 H new ATOM 0 HB2 ASN A 33 -5.126 -42.022 -24.876 1.00 4.00 H new ATOM 0 HB3 ASN A 33 -5.563 -40.799 -23.699 1.00 4.00 H new ATOM 0 HD21 ASN A 33 -1.713 -41.034 -25.171 1.00 23.04 H new ATOM 0 HD22 ASN A 33 -2.898 -42.309 -25.474 1.00 23.04 H new ATOM 485 N LYS A 34 -4.893 -41.026 -20.998 1.00 32.10 N ATOM 486 CA LYS A 34 -4.414 -40.280 -19.838 1.00 63.34 C ATOM 487 C LYS A 34 -4.299 -41.180 -18.611 1.00 13.43 C ATOM 488 O LYS A 34 -3.363 -41.038 -17.821 1.00 20.22 O ATOM 489 CB LYS A 34 -5.340 -39.085 -19.557 1.00 42.13 C ATOM 490 CG LYS A 34 -5.377 -38.068 -20.699 1.00 54.23 C ATOM 491 CD LYS A 34 -4.025 -37.387 -20.895 1.00 2.25 C ATOM 492 CE LYS A 34 -4.031 -36.446 -22.094 1.00 10.31 C ATOM 493 NZ LYS A 34 -2.719 -35.772 -22.283 1.00 61.25 N1+ ATOM 0 H LYS A 34 -5.807 -40.725 -21.336 1.00 32.10 H new ATOM 0 HA LYS A 34 -3.416 -39.902 -20.062 1.00 63.34 H new ATOM 0 HB2 LYS A 34 -6.350 -39.452 -19.373 1.00 42.13 H new ATOM 0 HB3 LYS A 34 -5.011 -38.586 -18.645 1.00 42.13 H new ATOM 0 HG2 LYS A 34 -5.669 -38.568 -21.622 1.00 54.23 H new ATOM 0 HG3 LYS A 34 -6.137 -37.315 -20.491 1.00 54.23 H new ATOM 0 HD2 LYS A 34 -3.767 -36.828 -19.996 1.00 2.25 H new ATOM 0 HD3 LYS A 34 -3.253 -38.145 -21.032 1.00 2.25 H new ATOM 0 HE2 LYS A 34 -4.282 -37.008 -22.994 1.00 10.31 H new ATOM 0 HE3 LYS A 34 -4.808 -35.694 -21.960 1.00 10.31 H new ATOM 0 HZ1 LYS A 34 -2.768 -35.142 -23.109 1.00 61.25 H new ATOM 0 HZ2 LYS A 34 -2.490 -35.215 -21.435 1.00 61.25 H new ATOM 0 HZ3 LYS A 34 -1.980 -36.488 -22.437 1.00 61.25 H new ATOM 507 N VAL A 35 -5.236 -42.116 -18.464 1.00 1.14 N ATOM 508 CA VAL A 35 -5.186 -43.076 -17.363 1.00 22.00 C ATOM 509 C VAL A 35 -3.949 -43.973 -17.481 1.00 74.14 C ATOM 510 O VAL A 35 -3.272 -44.254 -16.489 1.00 12.35 O ATOM 511 CB VAL A 35 -6.473 -43.940 -17.295 1.00 71.34 C ATOM 512 CG1 VAL A 35 -6.340 -45.052 -16.255 1.00 55.41 C ATOM 513 CG2 VAL A 35 -7.685 -43.063 -16.981 1.00 4.12 C ATOM 0 H VAL A 35 -6.034 -42.230 -19.089 1.00 1.14 H new ATOM 0 HA VAL A 35 -5.119 -42.505 -16.437 1.00 22.00 H new ATOM 0 HB VAL A 35 -6.616 -44.406 -18.270 1.00 71.34 H new ATOM 0 HG11 VAL A 35 -7.258 -45.640 -16.231 1.00 55.41 H new ATOM 0 HG12 VAL A 35 -5.502 -45.698 -16.518 1.00 55.41 H new ATOM 0 HG13 VAL A 35 -6.165 -44.613 -15.273 1.00 55.41 H new ATOM 0 HG21 VAL A 35 -8.581 -43.683 -16.936 1.00 4.12 H new ATOM 0 HG22 VAL A 35 -7.537 -42.569 -16.021 1.00 4.12 H new ATOM 0 HG23 VAL A 35 -7.802 -42.311 -17.762 1.00 4.12 H new ATOM 523 N THR A 36 -3.651 -44.408 -18.701 1.00 14.23 N ATOM 524 CA THR A 36 -2.490 -45.264 -18.949 1.00 5.43 C ATOM 525 C THR A 36 -1.214 -44.440 -19.169 1.00 53.41 C ATOM 526 O THR A 36 -0.110 -44.990 -19.214 1.00 51.32 O ATOM 527 CB THR A 36 -2.729 -46.190 -20.166 1.00 11.34 C ATOM 528 OG1 THR A 36 -3.075 -45.411 -21.321 1.00 35.24 O ATOM 529 CG2 THR A 36 -3.838 -47.197 -19.876 1.00 31.14 C ATOM 0 H THR A 36 -4.195 -44.184 -19.534 1.00 14.23 H new ATOM 0 HA THR A 36 -2.354 -45.877 -18.058 1.00 5.43 H new ATOM 0 HB THR A 36 -1.806 -46.736 -20.361 1.00 11.34 H new ATOM 0 HG1 THR A 36 -4.006 -45.115 -21.249 1.00 35.24 H new ATOM 0 HG21 THR A 36 -3.986 -47.836 -20.747 1.00 31.14 H new ATOM 0 HG22 THR A 36 -3.558 -47.810 -19.020 1.00 31.14 H new ATOM 0 HG23 THR A 36 -4.763 -46.665 -19.654 1.00 31.14 H new ATOM 537 N SER A 37 -1.368 -43.124 -19.310 1.00 74.54 N ATOM 538 CA SER A 37 -0.234 -42.223 -19.544 1.00 42.32 C ATOM 539 C SER A 37 0.591 -42.013 -18.269 1.00 73.45 C ATOM 540 O SER A 37 1.612 -41.326 -18.291 1.00 65.42 O ATOM 541 CB SER A 37 -0.745 -40.871 -20.074 1.00 1.24 C ATOM 542 OG SER A 37 0.321 -39.996 -20.423 1.00 11.40 O ATOM 0 H SER A 37 -2.272 -42.653 -19.266 1.00 74.54 H new ATOM 0 HA SER A 37 0.417 -42.684 -20.287 1.00 42.32 H new ATOM 0 HB2 SER A 37 -1.376 -41.039 -20.947 1.00 1.24 H new ATOM 0 HB3 SER A 37 -1.369 -40.397 -19.316 1.00 1.24 H new ATOM 0 HG SER A 37 1.095 -40.179 -19.850 1.00 11.40 H new ATOM 548 N CYS A 38 0.142 -42.603 -17.165 1.00 31.04 N ATOM 549 CA CYS A 38 0.831 -42.471 -15.883 1.00 10.42 C ATOM 550 C CYS A 38 2.162 -43.226 -15.891 1.00 51.55 C ATOM 551 O CYS A 38 2.226 -44.370 -16.343 1.00 23.12 O ATOM 552 CB CYS A 38 -0.053 -43.014 -14.757 1.00 55.23 C ATOM 553 SG CYS A 38 -1.689 -42.258 -14.678 1.00 22.33 S ATOM 0 H CYS A 38 -0.699 -43.179 -17.132 1.00 31.04 H new ATOM 0 HA CYS A 38 1.033 -41.413 -15.717 1.00 10.42 H new ATOM 0 HB2 CYS A 38 -0.167 -44.090 -14.886 1.00 55.23 H new ATOM 0 HB3 CYS A 38 0.454 -42.859 -13.804 1.00 55.23 H new ATOM 0 HG CYS A 38 -2.524 -42.955 -15.390 1.00 22.33 H new ATOM 559 N ASN A 39 3.219 -42.579 -15.395 1.00 72.42 N ATOM 560 CA ASN A 39 4.510 -43.246 -15.234 1.00 15.33 C ATOM 561 C ASN A 39 4.371 -44.343 -14.174 1.00 11.44 C ATOM 562 O ASN A 39 4.263 -45.527 -14.504 1.00 34.54 O ATOM 563 CB ASN A 39 5.611 -42.242 -14.839 1.00 42.12 C ATOM 564 CG ASN A 39 5.677 -41.040 -15.767 1.00 14.24 C ATOM 565 OD1 ASN A 39 5.010 -40.030 -15.533 1.00 23.53 O ATOM 566 ND2 ASN A 39 6.478 -41.132 -16.817 1.00 10.15 N ATOM 0 H ASN A 39 3.206 -41.603 -15.101 1.00 72.42 H new ATOM 0 HA ASN A 39 4.804 -43.690 -16.185 1.00 15.33 H new ATOM 0 HB2 ASN A 39 5.433 -41.898 -13.820 1.00 42.12 H new ATOM 0 HB3 ASN A 39 6.576 -42.749 -14.841 1.00 42.12 H new ATOM 0 HD21 ASN A 39 6.559 -40.350 -17.467 1.00 10.15 H new ATOM 0 HD22 ASN A 39 7.014 -41.985 -16.976 1.00 10.15 H new ATOM 573 N ASP A 40 4.371 -43.941 -12.904 1.00 2.41 N ATOM 574 CA ASP A 40 4.024 -44.833 -11.802 1.00 42.21 C ATOM 575 C ASP A 40 3.695 -44.002 -10.564 1.00 11.11 C ATOM 576 O ASP A 40 4.125 -42.854 -10.452 1.00 52.12 O ATOM 577 CB ASP A 40 5.153 -45.832 -11.497 1.00 54.20 C ATOM 578 CG ASP A 40 4.714 -46.981 -10.588 1.00 63.42 C ATOM 579 OD1 ASP A 40 5.593 -47.681 -10.044 1.00 24.22 O ATOM 580 OD2 ASP A 40 3.488 -47.207 -10.434 1.00 1.42 O1- ATOM 0 H ASP A 40 4.610 -42.993 -12.612 1.00 2.41 H new ATOM 0 HA ASP A 40 3.151 -45.417 -12.095 1.00 42.21 H new ATOM 0 HB2 ASP A 40 5.529 -46.242 -12.434 1.00 54.20 H new ATOM 0 HB3 ASP A 40 5.981 -45.302 -11.027 1.00 54.20 H new ATOM 585 N ASN A 41 2.918 -44.583 -9.656 1.00 20.22 N ATOM 586 CA ASN A 41 2.527 -43.930 -8.397 1.00 43.41 C ATOM 587 C ASN A 41 1.711 -42.661 -8.642 1.00 72.45 C ATOM 588 O ASN A 41 1.498 -41.869 -7.724 1.00 25.45 O ATOM 589 CB ASN A 41 3.758 -43.605 -7.539 1.00 53.22 C ATOM 590 CG ASN A 41 4.638 -44.816 -7.287 1.00 43.00 C ATOM 591 OD1 ASN A 41 4.151 -45.946 -7.199 1.00 12.13 O ATOM 592 ND2 ASN A 41 5.941 -44.595 -7.180 1.00 51.54 N ATOM 0 H ASN A 41 2.537 -45.523 -9.766 1.00 20.22 H new ATOM 0 HA ASN A 41 1.897 -44.636 -7.857 1.00 43.41 H new ATOM 0 HB2 ASN A 41 4.346 -42.832 -8.034 1.00 53.22 H new ATOM 0 HB3 ASN A 41 3.431 -43.195 -6.584 1.00 53.22 H new ATOM 0 HD21 ASN A 41 6.579 -45.374 -7.019 1.00 51.54 H new ATOM 0 HD22 ASN A 41 6.305 -43.646 -7.259 1.00 51.54 H new ATOM 599 N ILE A 42 1.248 -42.476 -9.875 1.00 4.44 N ATOM 600 CA ILE A 42 0.428 -41.318 -10.216 1.00 53.42 C ATOM 601 C ILE A 42 -1.040 -41.619 -9.930 1.00 61.41 C ATOM 602 O ILE A 42 -1.671 -42.408 -10.638 1.00 70.51 O ATOM 603 CB ILE A 42 0.596 -40.905 -11.702 1.00 60.24 C ATOM 604 CG1 ILE A 42 2.075 -40.618 -12.019 1.00 24.42 C ATOM 605 CG2 ILE A 42 -0.269 -39.683 -12.024 1.00 31.35 C ATOM 606 CD1 ILE A 42 2.679 -39.488 -11.202 1.00 11.11 C ATOM 0 H ILE A 42 1.426 -43.111 -10.653 1.00 4.44 H new ATOM 0 HA ILE A 42 0.764 -40.485 -9.599 1.00 53.42 H new ATOM 0 HB ILE A 42 0.264 -41.734 -12.327 1.00 60.24 H new ATOM 0 HG12 ILE A 42 2.654 -41.525 -11.848 1.00 24.42 H new ATOM 0 HG13 ILE A 42 2.168 -40.376 -13.078 1.00 24.42 H new ATOM 0 HG21 ILE A 42 -0.137 -39.409 -13.071 1.00 31.35 H new ATOM 0 HG22 ILE A 42 -1.317 -39.920 -11.840 1.00 31.35 H new ATOM 0 HG23 ILE A 42 0.030 -38.848 -11.390 1.00 31.35 H new ATOM 0 HD11 ILE A 42 3.722 -39.351 -11.486 1.00 11.11 H new ATOM 0 HD12 ILE A 42 2.127 -38.567 -11.391 1.00 11.11 H new ATOM 0 HD13 ILE A 42 2.621 -39.734 -10.142 1.00 11.11 H new ATOM 618 N LEU A 43 -1.556 -41.018 -8.866 1.00 61.41 N ATOM 619 CA LEU A 43 -2.948 -41.180 -8.478 1.00 72.33 C ATOM 620 C LEU A 43 -3.819 -40.226 -9.297 1.00 70.42 C ATOM 621 O LEU A 43 -3.771 -39.003 -9.116 1.00 24.44 O ATOM 622 CB LEU A 43 -3.117 -40.904 -6.970 1.00 53.01 C ATOM 623 CG LEU A 43 -4.241 -41.681 -6.251 1.00 15.11 C ATOM 624 CD1 LEU A 43 -4.421 -41.164 -4.826 1.00 20.34 C ATOM 625 CD2 LEU A 43 -5.560 -41.614 -7.018 1.00 60.11 C ATOM 0 H LEU A 43 -1.021 -40.406 -8.250 1.00 61.41 H new ATOM 0 HA LEU A 43 -3.260 -42.206 -8.675 1.00 72.33 H new ATOM 0 HB2 LEU A 43 -2.174 -41.131 -6.473 1.00 53.01 H new ATOM 0 HB3 LEU A 43 -3.299 -39.838 -6.836 1.00 53.01 H new ATOM 0 HG LEU A 43 -3.941 -42.728 -6.210 1.00 15.11 H new ATOM 0 HD11 LEU A 43 -5.217 -41.723 -4.334 1.00 20.34 H new ATOM 0 HD12 LEU A 43 -3.491 -41.293 -4.272 1.00 20.34 H new ATOM 0 HD13 LEU A 43 -4.683 -40.106 -4.853 1.00 20.34 H new ATOM 0 HD21 LEU A 43 -6.324 -42.173 -6.478 1.00 60.11 H new ATOM 0 HD22 LEU A 43 -5.872 -40.574 -7.115 1.00 60.11 H new ATOM 0 HD23 LEU A 43 -5.427 -42.047 -8.010 1.00 60.11 H new ATOM 637 N ILE A 44 -4.593 -40.789 -10.210 1.00 53.43 N ATOM 638 CA ILE A 44 -5.523 -40.013 -11.017 1.00 3.43 C ATOM 639 C ILE A 44 -6.899 -39.961 -10.360 1.00 52.32 C ATOM 640 O ILE A 44 -7.505 -41.000 -10.092 1.00 63.21 O ATOM 641 CB ILE A 44 -5.660 -40.595 -12.448 1.00 54.14 C ATOM 642 CG1 ILE A 44 -4.342 -40.428 -13.219 1.00 72.45 C ATOM 643 CG2 ILE A 44 -6.818 -39.932 -13.199 1.00 35.25 C ATOM 644 CD1 ILE A 44 -4.410 -40.900 -14.654 1.00 52.24 C ATOM 0 H ILE A 44 -4.596 -41.789 -10.413 1.00 53.43 H new ATOM 0 HA ILE A 44 -5.118 -39.004 -11.089 1.00 3.43 H new ATOM 0 HB ILE A 44 -5.881 -41.659 -12.367 1.00 54.14 H new ATOM 0 HG12 ILE A 44 -4.055 -39.377 -13.205 1.00 72.45 H new ATOM 0 HG13 ILE A 44 -3.557 -40.980 -12.702 1.00 72.45 H new ATOM 0 HG21 ILE A 44 -6.893 -40.357 -14.200 1.00 35.25 H new ATOM 0 HG22 ILE A 44 -7.749 -40.106 -12.659 1.00 35.25 H new ATOM 0 HG23 ILE A 44 -6.637 -38.860 -13.273 1.00 35.25 H new ATOM 0 HD11 ILE A 44 -3.442 -40.750 -15.133 1.00 52.24 H new ATOM 0 HD12 ILE A 44 -4.666 -41.959 -14.677 1.00 52.24 H new ATOM 0 HD13 ILE A 44 -5.171 -40.331 -15.188 1.00 52.24 H new ATOM 656 N LEU A 45 -7.371 -38.747 -10.089 1.00 65.44 N ATOM 657 CA LEU A 45 -8.724 -38.529 -9.588 1.00 1.02 C ATOM 658 C LEU A 45 -9.601 -38.008 -10.721 1.00 41.11 C ATOM 659 O LEU A 45 -9.407 -36.896 -11.202 1.00 73.21 O ATOM 660 CB LEU A 45 -8.735 -37.525 -8.420 1.00 45.12 C ATOM 661 CG LEU A 45 -8.092 -38.006 -7.102 1.00 11.25 C ATOM 662 CD1 LEU A 45 -6.581 -38.157 -7.239 1.00 71.43 C ATOM 663 CD2 LEU A 45 -8.437 -37.051 -5.959 1.00 43.24 C ATOM 0 H LEU A 45 -6.829 -37.891 -10.210 1.00 65.44 H new ATOM 0 HA LEU A 45 -9.112 -39.478 -9.219 1.00 1.02 H new ATOM 0 HB2 LEU A 45 -8.221 -36.620 -8.742 1.00 45.12 H new ATOM 0 HB3 LEU A 45 -9.769 -37.248 -8.216 1.00 45.12 H new ATOM 0 HG LEU A 45 -8.502 -38.989 -6.871 1.00 11.25 H new ATOM 0 HD11 LEU A 45 -6.162 -38.497 -6.292 1.00 71.43 H new ATOM 0 HD12 LEU A 45 -6.357 -38.886 -8.018 1.00 71.43 H new ATOM 0 HD13 LEU A 45 -6.142 -37.196 -7.506 1.00 71.43 H new ATOM 0 HD21 LEU A 45 -7.976 -37.405 -5.037 1.00 43.24 H new ATOM 0 HD22 LEU A 45 -8.063 -36.054 -6.192 1.00 43.24 H new ATOM 0 HD23 LEU A 45 -9.519 -37.012 -5.832 1.00 43.24 H new ATOM 675 N VAL A 46 -10.537 -38.824 -11.168 1.00 52.30 N ATOM 676 CA VAL A 46 -11.465 -38.427 -12.216 1.00 52.42 C ATOM 677 C VAL A 46 -12.776 -37.946 -11.600 1.00 21.23 C ATOM 678 O VAL A 46 -13.549 -38.751 -11.068 1.00 14.33 O ATOM 679 CB VAL A 46 -11.758 -39.597 -13.193 1.00 13.25 C ATOM 680 CG1 VAL A 46 -12.718 -39.156 -14.302 1.00 25.32 C ATOM 681 CG2 VAL A 46 -10.458 -40.147 -13.781 1.00 72.45 C ATOM 0 H VAL A 46 -10.677 -39.773 -10.820 1.00 52.30 H new ATOM 0 HA VAL A 46 -10.999 -37.618 -12.778 1.00 52.42 H new ATOM 0 HB VAL A 46 -12.241 -40.396 -12.631 1.00 13.25 H new ATOM 0 HG11 VAL A 46 -12.908 -39.993 -14.973 1.00 25.32 H new ATOM 0 HG12 VAL A 46 -13.658 -38.826 -13.860 1.00 25.32 H new ATOM 0 HG13 VAL A 46 -12.273 -38.335 -14.863 1.00 25.32 H new ATOM 0 HG21 VAL A 46 -10.685 -40.966 -14.463 1.00 72.45 H new ATOM 0 HG22 VAL A 46 -9.941 -39.356 -14.324 1.00 72.45 H new ATOM 0 HG23 VAL A 46 -9.820 -40.512 -12.976 1.00 72.45 H new ATOM 691 N ASP A 47 -13.009 -36.634 -11.641 1.00 11.12 N ATOM 692 CA ASP A 47 -14.271 -36.073 -11.161 1.00 51.13 C ATOM 693 C ASP A 47 -15.384 -36.442 -12.141 1.00 54.22 C ATOM 694 O ASP A 47 -15.562 -35.799 -13.186 1.00 62.13 O ATOM 695 CB ASP A 47 -14.178 -34.551 -10.983 1.00 0.54 C ATOM 696 CG ASP A 47 -15.436 -33.967 -10.349 1.00 13.50 C ATOM 697 OD1 ASP A 47 -15.579 -34.054 -9.115 1.00 30.41 O ATOM 698 OD2 ASP A 47 -16.283 -33.421 -11.088 1.00 0.25 O1- ATOM 0 H ASP A 47 -12.347 -35.945 -11.998 1.00 11.12 H new ATOM 0 HA ASP A 47 -14.495 -36.494 -10.181 1.00 51.13 H new ATOM 0 HB2 ASP A 47 -13.315 -34.312 -10.361 1.00 0.54 H new ATOM 0 HB3 ASP A 47 -14.011 -34.083 -11.953 1.00 0.54 H new ATOM 703 N PHE A 48 -16.096 -37.513 -11.810 1.00 33.43 N ATOM 704 CA PHE A 48 -17.086 -38.111 -12.696 1.00 51.34 C ATOM 705 C PHE A 48 -18.209 -37.126 -13.032 1.00 61.52 C ATOM 706 O PHE A 48 -19.131 -36.927 -12.238 1.00 13.11 O ATOM 707 CB PHE A 48 -17.666 -39.383 -12.054 1.00 65.22 C ATOM 708 CG PHE A 48 -18.501 -40.217 -12.995 1.00 13.55 C ATOM 709 CD1 PHE A 48 -17.946 -41.299 -13.661 1.00 62.52 C ATOM 710 CD2 PHE A 48 -19.838 -39.917 -13.215 1.00 12.32 C ATOM 711 CE1 PHE A 48 -18.704 -42.064 -14.526 1.00 14.23 C ATOM 712 CE2 PHE A 48 -20.598 -40.679 -14.079 1.00 3.03 C ATOM 713 CZ PHE A 48 -20.032 -41.754 -14.735 1.00 0.02 C ATOM 0 H PHE A 48 -16.002 -37.993 -10.915 1.00 33.43 H new ATOM 0 HA PHE A 48 -16.587 -38.374 -13.629 1.00 51.34 H new ATOM 0 HB2 PHE A 48 -16.846 -39.993 -11.674 1.00 65.22 H new ATOM 0 HB3 PHE A 48 -18.276 -39.100 -11.197 1.00 65.22 H new ATOM 0 HD1 PHE A 48 -16.907 -41.547 -13.501 1.00 62.52 H new ATOM 0 HD2 PHE A 48 -20.288 -39.078 -12.705 1.00 12.32 H new ATOM 0 HE1 PHE A 48 -18.258 -42.904 -15.038 1.00 14.23 H new ATOM 0 HE2 PHE A 48 -21.637 -40.434 -14.242 1.00 3.03 H new ATOM 0 HZ PHE A 48 -20.627 -42.351 -15.410 1.00 0.02 H new ATOM 723 N TRP A 49 -18.104 -36.511 -14.213 1.00 62.40 N ATOM 724 CA TRP A 49 -19.156 -35.654 -14.760 1.00 3.51 C ATOM 725 C TRP A 49 -19.474 -34.473 -13.829 1.00 41.31 C ATOM 726 O TRP A 49 -18.951 -33.371 -14.018 1.00 63.54 O ATOM 727 CB TRP A 49 -20.433 -36.475 -15.040 1.00 40.21 C ATOM 728 CG TRP A 49 -20.414 -37.286 -16.314 1.00 42.53 C ATOM 729 CD1 TRP A 49 -21.351 -37.248 -17.307 1.00 65.23 C ATOM 730 CD2 TRP A 49 -19.428 -38.248 -16.738 1.00 72.13 C ATOM 731 NE1 TRP A 49 -21.021 -38.125 -18.309 1.00 33.30 N ATOM 732 CE2 TRP A 49 -19.844 -38.747 -17.986 1.00 34.35 C ATOM 733 CE3 TRP A 49 -18.237 -38.734 -16.190 1.00 22.14 C ATOM 734 CZ2 TRP A 49 -19.117 -39.710 -18.689 1.00 54.21 C ATOM 735 CZ3 TRP A 49 -17.516 -39.685 -16.886 1.00 74.34 C ATOM 736 CH2 TRP A 49 -17.957 -40.163 -18.124 1.00 43.42 C ATOM 0 H TRP A 49 -17.286 -36.594 -14.816 1.00 62.40 H new ATOM 0 HA TRP A 49 -18.785 -35.243 -15.699 1.00 3.51 H new ATOM 0 HB2 TRP A 49 -20.602 -37.151 -14.201 1.00 40.21 H new ATOM 0 HB3 TRP A 49 -21.283 -35.793 -15.076 1.00 40.21 H new ATOM 0 HD1 TRP A 49 -22.227 -36.617 -17.304 1.00 65.23 H new ATOM 0 HE1 TRP A 49 -21.564 -38.288 -19.157 1.00 33.30 H new ATOM 0 HE3 TRP A 49 -17.885 -38.371 -15.236 1.00 22.14 H new ATOM 0 HZ2 TRP A 49 -19.458 -40.083 -19.643 1.00 54.21 H new ATOM 0 HZ3 TRP A 49 -16.596 -40.066 -16.467 1.00 74.34 H new ATOM 0 HH2 TRP A 49 -17.370 -40.905 -18.644 1.00 43.42 H new ATOM 747 N ALA A 50 -20.310 -34.733 -12.817 1.00 41.34 N ATOM 748 CA ALA A 50 -20.797 -33.703 -11.893 1.00 51.22 C ATOM 749 C ALA A 50 -21.438 -32.520 -12.640 1.00 20.23 C ATOM 750 O ALA A 50 -21.166 -31.361 -12.322 1.00 33.32 O ATOM 751 CB ALA A 50 -19.661 -33.225 -10.988 1.00 54.33 C ATOM 0 H ALA A 50 -20.669 -35.666 -12.616 1.00 41.34 H new ATOM 0 HA ALA A 50 -21.575 -34.151 -11.275 1.00 51.22 H new ATOM 0 HB1 ALA A 50 -20.035 -32.461 -10.307 1.00 54.33 H new ATOM 0 HB2 ALA A 50 -19.276 -34.067 -10.412 1.00 54.33 H new ATOM 0 HB3 ALA A 50 -18.861 -32.806 -11.599 1.00 54.33 H new ATOM 757 N PRO A 51 -22.347 -32.790 -13.610 1.00 55.40 N ATOM 758 CA PRO A 51 -22.914 -31.747 -14.473 1.00 12.22 C ATOM 759 C PRO A 51 -23.954 -30.897 -13.749 1.00 34.03 C ATOM 760 O PRO A 51 -24.274 -29.789 -14.177 1.00 2.20 O ATOM 761 CB PRO A 51 -23.570 -32.536 -15.629 1.00 62.34 C ATOM 762 CG PRO A 51 -23.195 -33.969 -15.407 1.00 64.33 C ATOM 763 CD PRO A 51 -22.918 -34.104 -13.936 1.00 24.12 C ATOM 0 HA PRO A 51 -22.151 -31.043 -14.806 1.00 12.22 H new ATOM 0 HB2 PRO A 51 -24.653 -32.410 -15.624 1.00 62.34 H new ATOM 0 HB3 PRO A 51 -23.212 -32.183 -16.596 1.00 62.34 H new ATOM 0 HG2 PRO A 51 -24.001 -34.635 -15.715 1.00 64.33 H new ATOM 0 HG3 PRO A 51 -22.318 -34.238 -15.995 1.00 64.33 H new ATOM 0 HD2 PRO A 51 -23.825 -34.307 -13.367 1.00 24.12 H new ATOM 0 HD3 PRO A 51 -22.221 -34.915 -13.725 1.00 24.12 H new ATOM 771 N TRP A 52 -24.490 -31.433 -12.657 1.00 52.31 N ATOM 772 CA TRP A 52 -25.512 -30.742 -11.879 1.00 61.04 C ATOM 773 C TRP A 52 -24.884 -29.621 -11.053 1.00 61.45 C ATOM 774 O TRP A 52 -25.455 -28.539 -10.920 1.00 73.15 O ATOM 775 CB TRP A 52 -26.242 -31.735 -10.965 1.00 34.34 C ATOM 776 CG TRP A 52 -26.863 -32.884 -11.709 1.00 2.33 C ATOM 777 CD1 TRP A 52 -26.287 -34.091 -11.987 1.00 55.55 C ATOM 778 CD2 TRP A 52 -28.180 -32.931 -12.272 1.00 2.31 C ATOM 779 NE1 TRP A 52 -27.162 -34.881 -12.690 1.00 21.24 N ATOM 780 CE2 TRP A 52 -28.330 -34.193 -12.876 1.00 34.23 C ATOM 781 CE3 TRP A 52 -29.246 -32.030 -12.323 1.00 4.45 C ATOM 782 CZ2 TRP A 52 -29.500 -34.576 -13.525 1.00 10.31 C ATOM 783 CZ3 TRP A 52 -30.409 -32.410 -12.969 1.00 4.30 C ATOM 784 CH2 TRP A 52 -30.529 -33.674 -13.561 1.00 60.21 C ATOM 0 H TRP A 52 -24.232 -32.349 -12.289 1.00 52.31 H new ATOM 0 HA TRP A 52 -26.236 -30.302 -12.565 1.00 61.04 H new ATOM 0 HB2 TRP A 52 -25.539 -32.125 -10.230 1.00 34.34 H new ATOM 0 HB3 TRP A 52 -27.019 -31.206 -10.413 1.00 34.34 H new ATOM 0 HD1 TRP A 52 -25.288 -34.381 -11.696 1.00 55.55 H new ATOM 0 HE1 TRP A 52 -26.972 -35.827 -13.020 1.00 21.24 H new ATOM 0 HE3 TRP A 52 -29.164 -31.055 -11.867 1.00 4.45 H new ATOM 0 HZ2 TRP A 52 -29.593 -35.549 -13.984 1.00 10.31 H new ATOM 0 HZ3 TRP A 52 -31.239 -31.720 -13.018 1.00 4.30 H new ATOM 0 HH2 TRP A 52 -31.451 -33.942 -14.055 1.00 60.21 H new ATOM 795 N CYS A 53 -23.693 -29.899 -10.522 1.00 50.22 N ATOM 796 CA CYS A 53 -22.943 -28.940 -9.711 1.00 20.35 C ATOM 797 C CYS A 53 -23.788 -28.432 -8.534 1.00 44.23 C ATOM 798 O CYS A 53 -24.422 -27.381 -8.614 1.00 40.01 O ATOM 799 CB CYS A 53 -22.449 -27.772 -10.584 1.00 43.12 C ATOM 800 SG CYS A 53 -21.100 -26.776 -9.859 1.00 63.30 S ATOM 0 H CYS A 53 -23.221 -30.795 -10.642 1.00 50.22 H new ATOM 0 HA CYS A 53 -22.073 -29.449 -9.295 1.00 20.35 H new ATOM 0 HB2 CYS A 53 -22.111 -28.172 -11.540 1.00 43.12 H new ATOM 0 HB3 CYS A 53 -23.292 -27.114 -10.794 1.00 43.12 H new ATOM 805 N GLY A 54 -23.822 -29.216 -7.454 1.00 43.40 N ATOM 806 CA GLY A 54 -24.541 -28.819 -6.251 1.00 13.40 C ATOM 807 C GLY A 54 -23.589 -28.443 -5.130 1.00 4.44 C ATOM 808 O GLY A 54 -23.351 -27.259 -4.890 1.00 31.03 O ATOM 0 H GLY A 54 -23.361 -30.124 -7.392 1.00 43.40 H new ATOM 0 HA2 GLY A 54 -25.190 -27.973 -6.477 1.00 13.40 H new ATOM 0 HA3 GLY A 54 -25.184 -29.636 -5.924 1.00 13.40 H new ATOM 812 N PRO A 55 -23.008 -29.442 -4.432 1.00 11.55 N ATOM 813 CA PRO A 55 -21.989 -29.214 -3.394 1.00 25.30 C ATOM 814 C PRO A 55 -20.617 -28.888 -4.003 1.00 32.04 C ATOM 815 O PRO A 55 -19.596 -28.871 -3.311 1.00 53.41 O ATOM 816 CB PRO A 55 -21.940 -30.551 -2.626 1.00 54.22 C ATOM 817 CG PRO A 55 -23.068 -31.376 -3.169 1.00 31.01 C ATOM 818 CD PRO A 55 -23.319 -30.872 -4.560 1.00 51.53 C ATOM 0 HA PRO A 55 -22.234 -28.363 -2.759 1.00 25.30 H new ATOM 0 HB2 PRO A 55 -20.983 -31.052 -2.774 1.00 54.22 H new ATOM 0 HB3 PRO A 55 -22.054 -30.390 -1.554 1.00 54.22 H new ATOM 0 HG2 PRO A 55 -22.807 -32.434 -3.179 1.00 31.01 H new ATOM 0 HG3 PRO A 55 -23.959 -31.273 -2.550 1.00 31.01 H new ATOM 0 HD2 PRO A 55 -22.679 -31.364 -5.293 1.00 51.53 H new ATOM 0 HD3 PRO A 55 -24.350 -31.038 -4.874 1.00 51.53 H new ATOM 826 N CYS A 56 -20.615 -28.624 -5.306 1.00 70.12 N ATOM 827 CA CYS A 56 -19.397 -28.335 -6.054 1.00 20.13 C ATOM 828 C CYS A 56 -18.734 -27.050 -5.561 1.00 71.35 C ATOM 829 O CYS A 56 -17.529 -26.875 -5.713 1.00 52.03 O ATOM 830 CB CYS A 56 -19.737 -28.214 -7.544 1.00 24.21 C ATOM 831 SG CYS A 56 -21.185 -27.155 -7.867 1.00 62.21 S ATOM 0 H CYS A 56 -21.462 -28.605 -5.875 1.00 70.12 H new ATOM 0 HA CYS A 56 -18.692 -29.152 -5.900 1.00 20.13 H new ATOM 0 HB2 CYS A 56 -18.875 -27.811 -8.075 1.00 24.21 H new ATOM 0 HB3 CYS A 56 -19.925 -29.208 -7.949 1.00 24.21 H new ATOM 836 N ARG A 57 -19.527 -26.175 -4.947 1.00 42.14 N ATOM 837 CA ARG A 57 -19.055 -24.859 -4.516 1.00 30.24 C ATOM 838 C ARG A 57 -17.815 -24.999 -3.623 1.00 54.23 C ATOM 839 O ARG A 57 -16.791 -24.358 -3.859 1.00 53.21 O ATOM 840 CB ARG A 57 -20.195 -24.120 -3.784 1.00 42.45 C ATOM 841 CG ARG A 57 -20.087 -22.592 -3.766 1.00 14.45 C ATOM 842 CD ARG A 57 -18.974 -22.083 -2.858 1.00 71.53 C ATOM 843 NE ARG A 57 -18.970 -20.619 -2.770 1.00 20.02 N ATOM 844 CZ ARG A 57 -18.035 -19.905 -2.146 1.00 74.44 C ATOM 845 NH1 ARG A 57 -17.010 -20.509 -1.562 1.00 35.42 N1+ ATOM 846 NH2 ARG A 57 -18.129 -18.585 -2.108 1.00 33.01 N ATOM 0 H ARG A 57 -20.508 -26.355 -4.735 1.00 42.14 H new ATOM 0 HA ARG A 57 -18.765 -24.273 -5.388 1.00 30.24 H new ATOM 0 HB2 ARG A 57 -21.141 -24.394 -4.251 1.00 42.45 H new ATOM 0 HB3 ARG A 57 -20.233 -24.476 -2.755 1.00 42.45 H new ATOM 0 HG2 ARG A 57 -19.913 -22.234 -4.781 1.00 14.45 H new ATOM 0 HG3 ARG A 57 -21.037 -22.170 -3.438 1.00 14.45 H new ATOM 0 HD2 ARG A 57 -19.096 -22.507 -1.861 1.00 71.53 H new ATOM 0 HD3 ARG A 57 -18.011 -22.427 -3.235 1.00 71.53 H new ATOM 0 HE ARG A 57 -19.735 -20.114 -3.217 1.00 20.02 H new ATOM 0 HH11 ARG A 57 -16.934 -21.526 -1.589 1.00 35.42 H new ATOM 0 HH12 ARG A 57 -16.297 -19.957 -1.086 1.00 35.42 H new ATOM 0 HH21 ARG A 57 -18.917 -18.117 -2.556 1.00 33.01 H new ATOM 0 HH22 ARG A 57 -17.414 -18.036 -1.631 1.00 33.01 H new ATOM 860 N SER A 58 -17.923 -25.824 -2.588 1.00 22.42 N ATOM 861 CA SER A 58 -16.809 -26.081 -1.677 1.00 70.35 C ATOM 862 C SER A 58 -15.756 -27.008 -2.309 1.00 50.02 C ATOM 863 O SER A 58 -14.541 -26.738 -2.281 1.00 63.20 O ATOM 864 CB SER A 58 -17.349 -26.696 -0.379 1.00 12.11 C ATOM 865 OG SER A 58 -18.413 -25.918 0.148 1.00 40.31 O ATOM 0 H SER A 58 -18.777 -26.331 -2.356 1.00 22.42 H new ATOM 0 HA SER A 58 -16.317 -25.133 -1.461 1.00 70.35 H new ATOM 0 HB2 SER A 58 -17.696 -27.711 -0.570 1.00 12.11 H new ATOM 0 HB3 SER A 58 -16.547 -26.767 0.356 1.00 12.11 H new ATOM 0 HG SER A 58 -18.742 -26.330 0.974 1.00 40.31 H new ATOM 871 N LEU A 59 -16.234 -28.106 -2.887 1.00 35.33 N ATOM 872 CA LEU A 59 -15.356 -29.182 -3.342 1.00 33.30 C ATOM 873 C LEU A 59 -14.489 -28.767 -4.528 1.00 51.22 C ATOM 874 O LEU A 59 -13.391 -29.289 -4.689 1.00 44.13 O ATOM 875 CB LEU A 59 -16.168 -30.444 -3.677 1.00 34.51 C ATOM 876 CG LEU A 59 -16.630 -31.270 -2.459 1.00 64.10 C ATOM 877 CD1 LEU A 59 -15.431 -31.799 -1.673 1.00 21.22 C ATOM 878 CD2 LEU A 59 -17.546 -30.447 -1.553 1.00 63.33 C ATOM 0 H LEU A 59 -17.226 -28.275 -3.052 1.00 35.33 H new ATOM 0 HA LEU A 59 -14.679 -29.408 -2.518 1.00 33.30 H new ATOM 0 HB2 LEU A 59 -17.047 -30.150 -4.251 1.00 34.51 H new ATOM 0 HB3 LEU A 59 -15.566 -31.084 -4.322 1.00 34.51 H new ATOM 0 HG LEU A 59 -17.198 -32.123 -2.831 1.00 64.10 H new ATOM 0 HD11 LEU A 59 -15.783 -32.378 -0.819 1.00 21.22 H new ATOM 0 HD12 LEU A 59 -14.825 -32.435 -2.318 1.00 21.22 H new ATOM 0 HD13 LEU A 59 -14.829 -30.962 -1.320 1.00 21.22 H new ATOM 0 HD21 LEU A 59 -17.857 -31.054 -0.702 1.00 63.33 H new ATOM 0 HD22 LEU A 59 -17.010 -29.568 -1.195 1.00 63.33 H new ATOM 0 HD23 LEU A 59 -18.425 -30.132 -2.115 1.00 63.33 H new ATOM 890 N GLU A 60 -14.962 -27.827 -5.344 1.00 25.40 N ATOM 891 CA GLU A 60 -14.190 -27.377 -6.503 1.00 51.24 C ATOM 892 C GLU A 60 -12.825 -26.826 -6.045 1.00 31.13 C ATOM 893 O GLU A 60 -11.786 -27.376 -6.419 1.00 60.23 O ATOM 894 CB GLU A 60 -14.979 -26.342 -7.335 1.00 44.05 C ATOM 895 CG GLU A 60 -14.262 -25.866 -8.598 1.00 51.15 C ATOM 896 CD GLU A 60 -15.024 -24.765 -9.324 1.00 40.34 C ATOM 897 OE1 GLU A 60 -15.971 -25.082 -10.080 1.00 65.12 O ATOM 898 OE2 GLU A 60 -14.694 -23.575 -9.130 1.00 25.24 O1- ATOM 0 H GLU A 60 -15.865 -27.366 -5.228 1.00 25.40 H new ATOM 0 HA GLU A 60 -14.009 -28.231 -7.156 1.00 51.24 H new ATOM 0 HB2 GLU A 60 -15.937 -26.777 -7.618 1.00 44.05 H new ATOM 0 HB3 GLU A 60 -15.194 -25.478 -6.707 1.00 44.05 H new ATOM 0 HG2 GLU A 60 -13.270 -25.502 -8.333 1.00 51.15 H new ATOM 0 HG3 GLU A 60 -14.122 -26.711 -9.272 1.00 51.15 H new ATOM 905 N PRO A 61 -12.789 -25.769 -5.190 1.00 40.44 N ATOM 906 CA PRO A 61 -11.524 -25.245 -4.667 1.00 20.54 C ATOM 907 C PRO A 61 -10.818 -26.250 -3.753 1.00 64.23 C ATOM 908 O PRO A 61 -9.586 -26.350 -3.778 1.00 41.33 O ATOM 909 CB PRO A 61 -11.932 -23.983 -3.889 1.00 61.44 C ATOM 910 CG PRO A 61 -13.366 -24.194 -3.552 1.00 3.54 C ATOM 911 CD PRO A 61 -13.944 -24.993 -4.689 1.00 61.33 C ATOM 0 HA PRO A 61 -10.811 -25.038 -5.465 1.00 20.54 H new ATOM 0 HB2 PRO A 61 -11.328 -23.859 -2.990 1.00 61.44 H new ATOM 0 HB3 PRO A 61 -11.795 -23.085 -4.491 1.00 61.44 H new ATOM 0 HG2 PRO A 61 -13.471 -24.727 -2.607 1.00 3.54 H new ATOM 0 HG3 PRO A 61 -13.885 -23.242 -3.440 1.00 3.54 H new ATOM 0 HD2 PRO A 61 -14.750 -25.645 -4.352 1.00 61.33 H new ATOM 0 HD3 PRO A 61 -14.359 -24.347 -5.463 1.00 61.33 H new ATOM 919 N GLN A 62 -11.588 -27.007 -2.949 1.00 1.31 N ATOM 920 CA GLN A 62 -10.974 -27.997 -2.052 1.00 64.23 C ATOM 921 C GLN A 62 -10.138 -29.009 -2.847 1.00 72.30 C ATOM 922 O GLN A 62 -8.999 -29.315 -2.476 1.00 45.13 O ATOM 923 CB GLN A 62 -12.021 -28.730 -1.201 1.00 52.44 C ATOM 924 CG GLN A 62 -12.726 -27.841 -0.184 1.00 75.21 C ATOM 925 CD GLN A 62 -13.599 -28.627 0.782 1.00 5.22 C ATOM 926 OE1 GLN A 62 -13.159 -29.011 1.866 1.00 5.12 O ATOM 927 NE2 GLN A 62 -14.835 -28.891 0.390 1.00 34.41 N ATOM 0 H GLN A 62 -12.606 -26.954 -2.903 1.00 1.31 H new ATOM 0 HA GLN A 62 -10.319 -27.450 -1.374 1.00 64.23 H new ATOM 0 HB2 GLN A 62 -12.767 -29.171 -1.862 1.00 52.44 H new ATOM 0 HB3 GLN A 62 -11.536 -29.552 -0.675 1.00 52.44 H new ATOM 0 HG2 GLN A 62 -11.980 -27.281 0.381 1.00 75.21 H new ATOM 0 HG3 GLN A 62 -13.341 -27.111 -0.711 1.00 75.21 H new ATOM 0 HE21 GLN A 62 -15.165 -28.556 -0.515 1.00 34.41 H new ATOM 0 HE22 GLN A 62 -15.457 -29.429 0.993 1.00 34.41 H new ATOM 936 N LEU A 63 -10.698 -29.504 -3.950 1.00 4.32 N ATOM 937 CA LEU A 63 -10.006 -30.471 -4.799 1.00 24.11 C ATOM 938 C LEU A 63 -8.783 -29.835 -5.454 1.00 34.30 C ATOM 939 O LEU A 63 -7.724 -30.461 -5.536 1.00 14.04 O ATOM 940 CB LEU A 63 -10.951 -31.037 -5.874 1.00 72.32 C ATOM 941 CG LEU A 63 -12.071 -31.952 -5.349 1.00 45.24 C ATOM 942 CD1 LEU A 63 -12.991 -32.388 -6.488 1.00 73.33 C ATOM 943 CD2 LEU A 63 -11.482 -33.165 -4.628 1.00 74.14 C ATOM 0 H LEU A 63 -11.630 -29.250 -4.276 1.00 4.32 H new ATOM 0 HA LEU A 63 -9.675 -31.294 -4.166 1.00 24.11 H new ATOM 0 HB2 LEU A 63 -11.406 -30.204 -6.409 1.00 72.32 H new ATOM 0 HB3 LEU A 63 -10.358 -31.595 -6.598 1.00 72.32 H new ATOM 0 HG LEU A 63 -12.667 -31.388 -4.632 1.00 45.24 H new ATOM 0 HD11 LEU A 63 -13.776 -33.034 -6.095 1.00 73.33 H new ATOM 0 HD12 LEU A 63 -13.442 -31.509 -6.948 1.00 73.33 H new ATOM 0 HD13 LEU A 63 -12.413 -32.932 -7.235 1.00 73.33 H new ATOM 0 HD21 LEU A 63 -12.290 -33.800 -4.264 1.00 74.14 H new ATOM 0 HD22 LEU A 63 -10.858 -33.732 -5.319 1.00 74.14 H new ATOM 0 HD23 LEU A 63 -10.877 -32.829 -3.786 1.00 74.14 H new ATOM 955 N GLU A 64 -8.929 -28.587 -5.910 1.00 4.53 N ATOM 956 CA GLU A 64 -7.815 -27.862 -6.520 1.00 14.32 C ATOM 957 C GLU A 64 -6.639 -27.777 -5.546 1.00 63.35 C ATOM 958 O GLU A 64 -5.484 -27.958 -5.936 1.00 10.34 O ATOM 959 CB GLU A 64 -8.240 -26.451 -6.955 1.00 61.33 C ATOM 960 CG GLU A 64 -9.302 -26.429 -8.049 1.00 42.54 C ATOM 961 CD GLU A 64 -9.648 -25.018 -8.496 1.00 13.44 C ATOM 962 OE1 GLU A 64 -10.270 -24.276 -7.710 1.00 52.13 O ATOM 963 OE2 GLU A 64 -9.294 -24.643 -9.636 1.00 65.51 O1- ATOM 0 H GLU A 64 -9.803 -28.062 -5.868 1.00 4.53 H new ATOM 0 HA GLU A 64 -7.505 -28.413 -7.408 1.00 14.32 H new ATOM 0 HB2 GLU A 64 -8.618 -25.913 -6.086 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -7.361 -25.911 -7.306 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -8.948 -27.002 -8.906 1.00 42.54 H new ATOM 0 HG3 GLU A 64 -10.203 -26.923 -7.686 1.00 42.54 H new ATOM 970 N LYS A 65 -6.943 -27.520 -4.274 1.00 0.43 N ATOM 971 CA LYS A 65 -5.909 -27.419 -3.247 1.00 4.21 C ATOM 972 C LYS A 65 -5.149 -28.740 -3.092 1.00 63.22 C ATOM 973 O LYS A 65 -3.921 -28.772 -3.223 1.00 64.34 O ATOM 974 CB LYS A 65 -6.507 -26.991 -1.898 1.00 2.10 C ATOM 975 CG LYS A 65 -5.494 -27.014 -0.750 1.00 73.25 C ATOM 976 CD LYS A 65 -6.058 -26.421 0.538 1.00 53.43 C ATOM 977 CE LYS A 65 -6.299 -24.920 0.413 1.00 74.54 C ATOM 978 NZ LYS A 65 -6.741 -24.324 1.701 1.00 62.51 N1+ ATOM 0 H LYS A 65 -7.893 -27.379 -3.932 1.00 0.43 H new ATOM 0 HA LYS A 65 -5.204 -26.653 -3.571 1.00 4.21 H new ATOM 0 HB2 LYS A 65 -6.915 -25.985 -1.993 1.00 2.10 H new ATOM 0 HB3 LYS A 65 -7.339 -27.651 -1.652 1.00 2.10 H new ATOM 0 HG2 LYS A 65 -5.181 -28.042 -0.566 1.00 73.25 H new ATOM 0 HG3 LYS A 65 -4.604 -26.457 -1.044 1.00 73.25 H new ATOM 0 HD2 LYS A 65 -6.994 -26.920 0.788 1.00 53.43 H new ATOM 0 HD3 LYS A 65 -5.366 -26.611 1.359 1.00 53.43 H new ATOM 0 HE2 LYS A 65 -5.383 -24.431 0.081 1.00 74.54 H new ATOM 0 HE3 LYS A 65 -7.054 -24.735 -0.351 1.00 74.54 H new ATOM 0 HZ1 LYS A 65 -6.895 -23.303 1.576 1.00 62.51 H new ATOM 0 HZ2 LYS A 65 -7.628 -24.773 2.005 1.00 62.51 H new ATOM 0 HZ3 LYS A 65 -6.010 -24.478 2.424 1.00 62.51 H new ATOM 992 N LEU A 66 -5.878 -29.830 -2.822 1.00 12.42 N ATOM 993 CA LEU A 66 -5.241 -31.138 -2.623 1.00 2.43 C ATOM 994 C LEU A 66 -4.444 -31.521 -3.864 1.00 60.12 C ATOM 995 O LEU A 66 -3.374 -32.129 -3.771 1.00 51.14 O ATOM 996 CB LEU A 66 -6.275 -32.235 -2.304 1.00 45.35 C ATOM 997 CG LEU A 66 -7.267 -31.901 -1.178 1.00 74.51 C ATOM 998 CD1 LEU A 66 -8.226 -33.065 -0.945 1.00 61.45 C ATOM 999 CD2 LEU A 66 -6.528 -31.541 0.111 1.00 41.11 C ATOM 0 H LEU A 66 -6.894 -29.834 -2.737 1.00 12.42 H new ATOM 0 HA LEU A 66 -4.571 -31.054 -1.767 1.00 2.43 H new ATOM 0 HB2 LEU A 66 -6.840 -32.452 -3.210 1.00 45.35 H new ATOM 0 HB3 LEU A 66 -5.741 -33.147 -2.036 1.00 45.35 H new ATOM 0 HG LEU A 66 -7.850 -31.033 -1.485 1.00 74.51 H new ATOM 0 HD11 LEU A 66 -8.920 -32.810 -0.144 1.00 61.45 H new ATOM 0 HD12 LEU A 66 -8.784 -33.265 -1.860 1.00 61.45 H new ATOM 0 HD13 LEU A 66 -7.659 -33.953 -0.664 1.00 61.45 H new ATOM 0 HD21 LEU A 66 -7.252 -31.309 0.892 1.00 41.11 H new ATOM 0 HD22 LEU A 66 -5.913 -32.384 0.425 1.00 41.11 H new ATOM 0 HD23 LEU A 66 -5.892 -30.673 -0.064 1.00 41.11 H new ATOM 1011 N ALA A 67 -4.964 -31.129 -5.021 1.00 43.32 N ATOM 1012 CA ALA A 67 -4.329 -31.426 -6.292 1.00 1.23 C ATOM 1013 C ALA A 67 -2.986 -30.716 -6.398 1.00 3.40 C ATOM 1014 O ALA A 67 -1.984 -31.336 -6.717 1.00 21.23 O ATOM 1015 CB ALA A 67 -5.241 -31.027 -7.446 1.00 34.31 C ATOM 0 H ALA A 67 -5.832 -30.600 -5.101 1.00 43.32 H new ATOM 0 HA ALA A 67 -4.152 -32.500 -6.348 1.00 1.23 H new ATOM 0 HB1 ALA A 67 -4.751 -31.256 -8.393 1.00 34.31 H new ATOM 0 HB2 ALA A 67 -6.177 -31.581 -7.378 1.00 34.31 H new ATOM 0 HB3 ALA A 67 -5.448 -29.958 -7.393 1.00 34.31 H new ATOM 1021 N GLN A 68 -2.972 -29.420 -6.102 1.00 30.24 N ATOM 1022 CA GLN A 68 -1.747 -28.625 -6.177 1.00 34.53 C ATOM 1023 C GLN A 68 -0.702 -29.148 -5.193 1.00 14.40 C ATOM 1024 O GLN A 68 0.484 -29.251 -5.520 1.00 34.01 O ATOM 1025 CB GLN A 68 -2.049 -27.148 -5.888 1.00 73.12 C ATOM 1026 CG GLN A 68 -2.921 -26.484 -6.946 1.00 63.23 C ATOM 1027 CD GLN A 68 -3.101 -24.993 -6.724 1.00 72.52 C ATOM 1028 OE1 GLN A 68 -3.067 -24.509 -5.593 1.00 74.13 O ATOM 1029 NE2 GLN A 68 -3.312 -24.259 -7.804 1.00 35.24 N ATOM 0 H GLN A 68 -3.796 -28.896 -5.807 1.00 30.24 H new ATOM 0 HA GLN A 68 -1.346 -28.712 -7.187 1.00 34.53 H new ATOM 0 HB2 GLN A 68 -2.544 -27.070 -4.920 1.00 73.12 H new ATOM 0 HB3 GLN A 68 -1.109 -26.602 -5.810 1.00 73.12 H new ATOM 0 HG2 GLN A 68 -2.477 -26.647 -7.928 1.00 63.23 H new ATOM 0 HG3 GLN A 68 -3.900 -26.964 -6.955 1.00 63.23 H new ATOM 0 HE21 GLN A 68 -3.333 -24.699 -8.724 1.00 35.24 H new ATOM 0 HE22 GLN A 68 -3.454 -23.253 -7.717 1.00 35.24 H new ATOM 1038 N GLN A 69 -1.155 -29.495 -3.995 1.00 23.22 N ATOM 1039 CA GLN A 69 -0.263 -29.976 -2.945 1.00 22.40 C ATOM 1040 C GLN A 69 0.315 -31.350 -3.304 1.00 3.21 C ATOM 1041 O GLN A 69 1.486 -31.626 -3.049 1.00 75.41 O ATOM 1042 CB GLN A 69 -1.016 -30.047 -1.607 1.00 11.52 C ATOM 1043 CG GLN A 69 -0.149 -30.475 -0.428 1.00 32.44 C ATOM 1044 CD GLN A 69 -0.940 -30.612 0.863 1.00 50.30 C ATOM 1045 OE1 GLN A 69 -1.057 -29.670 1.647 1.00 65.51 O ATOM 1046 NE2 GLN A 69 -1.490 -31.789 1.091 1.00 31.30 N ATOM 0 H GLN A 69 -2.138 -29.452 -3.725 1.00 23.22 H new ATOM 0 HA GLN A 69 0.566 -29.275 -2.850 1.00 22.40 H new ATOM 0 HB2 GLN A 69 -1.446 -29.069 -1.392 1.00 11.52 H new ATOM 0 HB3 GLN A 69 -1.847 -30.746 -1.706 1.00 11.52 H new ATOM 0 HG2 GLN A 69 0.328 -31.427 -0.660 1.00 32.44 H new ATOM 0 HG3 GLN A 69 0.648 -29.746 -0.285 1.00 32.44 H new ATOM 0 HE21 GLN A 69 -1.371 -32.546 0.418 1.00 31.30 H new ATOM 0 HE22 GLN A 69 -2.034 -31.942 1.940 1.00 31.30 H new ATOM 1055 N TYR A 70 -0.510 -32.205 -3.910 1.00 14.41 N ATOM 1056 CA TYR A 70 -0.111 -33.582 -4.220 1.00 60.14 C ATOM 1057 C TYR A 70 0.200 -33.778 -5.710 1.00 40.42 C ATOM 1058 O TYR A 70 0.485 -34.893 -6.135 1.00 75.22 O ATOM 1059 CB TYR A 70 -1.201 -34.575 -3.778 1.00 23.30 C ATOM 1060 CG TYR A 70 -1.394 -34.665 -2.274 1.00 14.04 C ATOM 1061 CD1 TYR A 70 -2.643 -34.464 -1.696 1.00 64.52 C ATOM 1062 CD2 TYR A 70 -0.323 -34.954 -1.434 1.00 13.23 C ATOM 1063 CE1 TYR A 70 -2.821 -34.550 -0.328 1.00 62.24 C ATOM 1064 CE2 TYR A 70 -0.493 -35.042 -0.065 1.00 4.24 C ATOM 1065 CZ TYR A 70 -1.742 -34.840 0.483 1.00 51.45 C ATOM 1066 OH TYR A 70 -1.911 -34.919 1.848 1.00 12.52 O ATOM 0 H TYR A 70 -1.460 -31.969 -4.197 1.00 14.41 H new ATOM 0 HA TYR A 70 0.805 -33.778 -3.663 1.00 60.14 H new ATOM 0 HB2 TYR A 70 -2.147 -34.286 -4.237 1.00 23.30 H new ATOM 0 HB3 TYR A 70 -0.951 -35.565 -4.160 1.00 23.30 H new ATOM 0 HD1 TYR A 70 -3.489 -34.237 -2.328 1.00 64.52 H new ATOM 0 HD2 TYR A 70 0.657 -35.112 -1.859 1.00 13.23 H new ATOM 0 HE1 TYR A 70 -3.798 -34.391 0.104 1.00 62.24 H new ATOM 0 HE2 TYR A 70 0.349 -35.268 0.573 1.00 4.24 H new ATOM 0 HH TYR A 70 -1.054 -35.132 2.272 1.00 12.52 H new ATOM 1076 N THR A 71 0.158 -32.699 -6.493 1.00 61.35 N ATOM 1077 CA THR A 71 0.285 -32.784 -7.958 1.00 51.44 C ATOM 1078 C THR A 71 1.547 -33.532 -8.402 1.00 2.11 C ATOM 1079 O THR A 71 1.621 -34.007 -9.537 1.00 63.31 O ATOM 1080 CB THR A 71 0.259 -31.379 -8.616 1.00 32.42 C ATOM 1081 OG1 THR A 71 0.234 -31.494 -10.047 1.00 20.15 O ATOM 1082 CG2 THR A 71 1.461 -30.541 -8.195 1.00 4.22 C ATOM 0 H THR A 71 0.037 -31.750 -6.140 1.00 61.35 H new ATOM 0 HA THR A 71 -0.580 -33.355 -8.295 1.00 51.44 H new ATOM 0 HB THR A 71 -0.647 -30.878 -8.275 1.00 32.42 H new ATOM 0 HG1 THR A 71 0.377 -30.612 -10.449 1.00 20.15 H new ATOM 0 HG21 THR A 71 1.409 -29.564 -8.675 1.00 4.22 H new ATOM 0 HG22 THR A 71 1.455 -30.414 -7.112 1.00 4.22 H new ATOM 0 HG23 THR A 71 2.379 -31.045 -8.496 1.00 4.22 H new ATOM 1090 N GLU A 72 2.530 -33.644 -7.514 1.00 51.24 N ATOM 1091 CA GLU A 72 3.750 -34.388 -7.819 1.00 74.02 C ATOM 1092 C GLU A 72 3.414 -35.856 -8.105 1.00 60.10 C ATOM 1093 O GLU A 72 4.014 -36.487 -8.977 1.00 53.34 O ATOM 1094 CB GLU A 72 4.744 -34.292 -6.651 1.00 21.44 C ATOM 1095 CG GLU A 72 4.981 -32.870 -6.145 1.00 35.12 C ATOM 1096 CD GLU A 72 5.356 -31.895 -7.250 1.00 32.11 C ATOM 1097 OE1 GLU A 72 6.456 -32.037 -7.835 1.00 53.51 O ATOM 1098 OE2 GLU A 72 4.560 -30.977 -7.535 1.00 0.13 O1- ATOM 0 H GLU A 72 2.507 -33.232 -6.581 1.00 51.24 H new ATOM 0 HA GLU A 72 4.211 -33.951 -8.705 1.00 74.02 H new ATOM 0 HB2 GLU A 72 4.378 -34.903 -5.826 1.00 21.44 H new ATOM 0 HB3 GLU A 72 5.697 -34.718 -6.964 1.00 21.44 H new ATOM 0 HG2 GLU A 72 4.080 -32.514 -5.646 1.00 35.12 H new ATOM 0 HG3 GLU A 72 5.774 -32.885 -5.398 1.00 35.12 H new ATOM 1105 N ASN A 73 2.434 -36.382 -7.371 1.00 54.34 N ATOM 1106 CA ASN A 73 2.018 -37.781 -7.503 1.00 53.33 C ATOM 1107 C ASN A 73 0.544 -37.887 -7.896 1.00 50.23 C ATOM 1108 O ASN A 73 0.044 -38.980 -8.134 1.00 40.15 O ATOM 1109 CB ASN A 73 2.243 -38.532 -6.176 1.00 52.25 C ATOM 1110 CG ASN A 73 3.712 -38.679 -5.802 1.00 60.25 C ATOM 1111 OD1 ASN A 73 4.581 -38.809 -6.668 1.00 52.33 O ATOM 1112 ND2 ASN A 73 4.003 -38.656 -4.507 1.00 3.30 N ATOM 0 H ASN A 73 1.908 -35.856 -6.673 1.00 54.34 H new ATOM 0 HA ASN A 73 2.623 -38.232 -8.289 1.00 53.33 H new ATOM 0 HB2 ASN A 73 1.724 -38.004 -5.376 1.00 52.25 H new ATOM 0 HB3 ASN A 73 1.794 -39.523 -6.248 1.00 52.25 H new ATOM 0 HD21 ASN A 73 4.971 -38.747 -4.200 1.00 3.30 H new ATOM 0 HD22 ASN A 73 3.258 -38.547 -3.819 1.00 3.30 H new ATOM 1119 N VAL A 74 -0.150 -36.754 -7.967 1.00 42.24 N ATOM 1120 CA VAL A 74 -1.599 -36.745 -8.208 1.00 72.51 C ATOM 1121 C VAL A 74 -1.958 -35.921 -9.445 1.00 33.41 C ATOM 1122 O VAL A 74 -1.279 -34.948 -9.779 1.00 74.22 O ATOM 1123 CB VAL A 74 -2.366 -36.200 -6.967 1.00 15.53 C ATOM 1124 CG1 VAL A 74 -3.829 -35.893 -7.285 1.00 23.10 C ATOM 1125 CG2 VAL A 74 -2.274 -37.192 -5.810 1.00 50.05 C ATOM 0 H VAL A 74 0.263 -35.828 -7.862 1.00 42.24 H new ATOM 0 HA VAL A 74 -1.902 -37.777 -8.386 1.00 72.51 H new ATOM 0 HB VAL A 74 -1.891 -35.263 -6.677 1.00 15.53 H new ATOM 0 HG11 VAL A 74 -4.324 -35.516 -6.390 1.00 23.10 H new ATOM 0 HG12 VAL A 74 -3.880 -35.141 -8.073 1.00 23.10 H new ATOM 0 HG13 VAL A 74 -4.327 -36.803 -7.619 1.00 23.10 H new ATOM 0 HG21 VAL A 74 -2.814 -36.798 -4.949 1.00 50.05 H new ATOM 0 HG22 VAL A 74 -2.714 -38.143 -6.110 1.00 50.05 H new ATOM 0 HG23 VAL A 74 -1.228 -37.344 -5.543 1.00 50.05 H new ATOM 1135 N LYS A 75 -3.023 -36.336 -10.128 1.00 71.33 N ATOM 1136 CA LYS A 75 -3.522 -35.631 -11.304 1.00 20.41 C ATOM 1137 C LYS A 75 -5.039 -35.818 -11.404 1.00 63.15 C ATOM 1138 O LYS A 75 -5.535 -36.933 -11.256 1.00 32.02 O ATOM 1139 CB LYS A 75 -2.835 -36.172 -12.568 1.00 33.32 C ATOM 1140 CG LYS A 75 -3.224 -35.446 -13.851 1.00 15.44 C ATOM 1141 CD LYS A 75 -2.770 -33.988 -13.850 1.00 32.33 C ATOM 1142 CE LYS A 75 -3.155 -33.275 -15.143 1.00 62.53 C ATOM 1143 NZ LYS A 75 -2.541 -33.907 -16.347 1.00 41.05 N1+ ATOM 0 H LYS A 75 -3.561 -37.167 -9.882 1.00 71.33 H new ATOM 0 HA LYS A 75 -3.298 -34.568 -11.213 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -1.755 -36.103 -12.438 1.00 33.32 H new ATOM 0 HB3 LYS A 75 -3.077 -37.229 -12.675 1.00 33.32 H new ATOM 0 HG2 LYS A 75 -2.784 -35.961 -14.705 1.00 15.44 H new ATOM 0 HG3 LYS A 75 -4.306 -35.488 -13.976 1.00 15.44 H new ATOM 0 HD2 LYS A 75 -3.216 -33.469 -13.002 1.00 32.33 H new ATOM 0 HD3 LYS A 75 -1.689 -33.944 -13.718 1.00 32.33 H new ATOM 0 HE2 LYS A 75 -4.240 -33.279 -15.248 1.00 62.53 H new ATOM 0 HE3 LYS A 75 -2.844 -32.232 -15.086 1.00 62.53 H new ATOM 0 HZ1 LYS A 75 -2.805 -33.367 -17.195 1.00 41.05 H new ATOM 0 HZ2 LYS A 75 -1.506 -33.911 -16.247 1.00 41.05 H new ATOM 0 HZ3 LYS A 75 -2.884 -34.885 -16.439 1.00 41.05 H new ATOM 1157 N ILE A 76 -5.776 -34.732 -11.641 1.00 10.31 N ATOM 1158 CA ILE A 76 -7.237 -34.801 -11.718 1.00 43.12 C ATOM 1159 C ILE A 76 -7.721 -34.605 -13.152 1.00 51.15 C ATOM 1160 O ILE A 76 -7.241 -33.720 -13.868 1.00 60.02 O ATOM 1161 CB ILE A 76 -7.915 -33.753 -10.796 1.00 3.10 C ATOM 1162 CG1 ILE A 76 -7.458 -33.950 -9.338 1.00 3.44 C ATOM 1163 CG2 ILE A 76 -9.441 -33.845 -10.898 1.00 13.44 C ATOM 1164 CD1 ILE A 76 -8.106 -33.000 -8.349 1.00 73.14 C ATOM 0 H ILE A 76 -5.389 -33.799 -11.782 1.00 10.31 H new ATOM 0 HA ILE A 76 -7.522 -35.796 -11.376 1.00 43.12 H new ATOM 0 HB ILE A 76 -7.613 -32.759 -11.125 1.00 3.10 H new ATOM 0 HG12 ILE A 76 -7.676 -34.975 -9.036 1.00 3.44 H new ATOM 0 HG13 ILE A 76 -6.376 -33.826 -9.288 1.00 3.44 H new ATOM 0 HG21 ILE A 76 -9.895 -33.101 -10.243 1.00 13.44 H new ATOM 0 HG22 ILE A 76 -9.749 -33.659 -11.927 1.00 13.44 H new ATOM 0 HG23 ILE A 76 -9.766 -34.841 -10.597 1.00 13.44 H new ATOM 0 HD11 ILE A 76 -7.730 -33.206 -7.347 1.00 73.14 H new ATOM 0 HD12 ILE A 76 -7.868 -31.972 -8.622 1.00 73.14 H new ATOM 0 HD13 ILE A 76 -9.187 -33.139 -8.366 1.00 73.14 H new ATOM 1176 N TYR A 77 -8.673 -35.443 -13.561 1.00 3.34 N ATOM 1177 CA TYR A 77 -9.271 -35.374 -14.894 1.00 12.22 C ATOM 1178 C TYR A 77 -10.792 -35.399 -14.790 1.00 34.33 C ATOM 1179 O TYR A 77 -11.345 -35.692 -13.724 1.00 1.44 O ATOM 1180 CB TYR A 77 -8.812 -36.555 -15.762 1.00 23.15 C ATOM 1181 CG TYR A 77 -7.333 -36.550 -16.097 1.00 51.23 C ATOM 1182 CD1 TYR A 77 -6.509 -37.603 -15.723 1.00 62.14 C ATOM 1183 CD2 TYR A 77 -6.765 -35.489 -16.784 1.00 61.02 C ATOM 1184 CE1 TYR A 77 -5.162 -37.599 -16.028 1.00 25.40 C ATOM 1185 CE2 TYR A 77 -5.421 -35.478 -17.094 1.00 34.01 C ATOM 1186 CZ TYR A 77 -4.623 -36.531 -16.713 1.00 2.40 C ATOM 1187 OH TYR A 77 -3.277 -36.514 -17.013 1.00 22.34 O ATOM 0 H TYR A 77 -9.052 -36.189 -12.977 1.00 3.34 H new ATOM 0 HA TYR A 77 -8.947 -34.442 -15.358 1.00 12.22 H new ATOM 0 HB2 TYR A 77 -9.052 -37.484 -15.245 1.00 23.15 H new ATOM 0 HB3 TYR A 77 -9.382 -36.550 -16.691 1.00 23.15 H new ATOM 0 HD1 TYR A 77 -6.929 -38.440 -15.184 1.00 62.14 H new ATOM 0 HD2 TYR A 77 -7.385 -34.657 -17.082 1.00 61.02 H new ATOM 0 HE1 TYR A 77 -4.535 -38.427 -15.732 1.00 25.40 H new ATOM 0 HE2 TYR A 77 -4.997 -34.645 -17.634 1.00 34.01 H new ATOM 0 HH TYR A 77 -2.814 -37.191 -16.476 1.00 22.34 H new ATOM 1197 N LYS A 78 -11.458 -35.096 -15.899 1.00 10.01 N ATOM 1198 CA LYS A 78 -12.908 -35.204 -15.997 1.00 3.41 C ATOM 1199 C LYS A 78 -13.356 -34.927 -17.428 1.00 25.15 C ATOM 1200 O LYS A 78 -12.672 -34.229 -18.174 1.00 45.21 O ATOM 1201 CB LYS A 78 -13.611 -34.219 -15.043 1.00 53.32 C ATOM 1202 CG LYS A 78 -13.436 -32.749 -15.428 1.00 32.43 C ATOM 1203 CD LYS A 78 -14.242 -31.800 -14.536 1.00 31.14 C ATOM 1204 CE LYS A 78 -15.750 -32.052 -14.613 1.00 3.31 C ATOM 1205 NZ LYS A 78 -16.202 -33.109 -13.665 1.00 62.33 N1+ ATOM 0 H LYS A 78 -11.008 -34.769 -16.754 1.00 10.01 H new ATOM 0 HA LYS A 78 -13.186 -36.219 -15.711 1.00 3.41 H new ATOM 0 HB2 LYS A 78 -14.675 -34.453 -15.015 1.00 53.32 H new ATOM 0 HB3 LYS A 78 -13.226 -34.368 -14.034 1.00 53.32 H new ATOM 0 HG2 LYS A 78 -12.380 -32.486 -15.369 1.00 32.43 H new ATOM 0 HG3 LYS A 78 -13.741 -32.611 -16.465 1.00 32.43 H new ATOM 0 HD2 LYS A 78 -13.912 -31.911 -13.503 1.00 31.14 H new ATOM 0 HD3 LYS A 78 -14.035 -30.770 -14.828 1.00 31.14 H new ATOM 0 HE2 LYS A 78 -16.281 -31.125 -14.398 1.00 3.31 H new ATOM 0 HE3 LYS A 78 -16.015 -32.343 -15.629 1.00 3.31 H new ATOM 0 HZ1 LYS A 78 -17.233 -33.047 -13.542 1.00 62.33 H new ATOM 0 HZ2 LYS A 78 -15.955 -34.045 -14.045 1.00 62.33 H new ATOM 0 HZ3 LYS A 78 -15.735 -32.974 -12.746 1.00 62.33 H new ATOM 1219 N ILE A 79 -14.494 -35.492 -17.803 1.00 35.25 N ATOM 1220 CA ILE A 79 -15.148 -35.157 -19.061 1.00 51.22 C ATOM 1221 C ILE A 79 -16.548 -34.628 -18.754 1.00 13.33 C ATOM 1222 O ILE A 79 -17.363 -35.316 -18.136 1.00 3.23 O ATOM 1223 CB ILE A 79 -15.214 -36.373 -20.031 1.00 11.23 C ATOM 1224 CG1 ILE A 79 -15.994 -36.018 -21.314 1.00 75.13 C ATOM 1225 CG2 ILE A 79 -15.821 -37.594 -19.345 1.00 32.21 C ATOM 1226 CD1 ILE A 79 -15.383 -34.887 -22.121 1.00 50.20 C ATOM 0 H ILE A 79 -14.988 -36.191 -17.249 1.00 35.25 H new ATOM 0 HA ILE A 79 -14.561 -34.392 -19.569 1.00 51.22 H new ATOM 0 HB ILE A 79 -14.192 -36.624 -20.317 1.00 11.23 H new ATOM 0 HG12 ILE A 79 -16.058 -36.905 -21.944 1.00 75.13 H new ATOM 0 HG13 ILE A 79 -17.014 -35.746 -21.042 1.00 75.13 H new ATOM 0 HG21 ILE A 79 -15.854 -38.427 -20.047 1.00 32.21 H new ATOM 0 HG22 ILE A 79 -15.211 -37.869 -18.485 1.00 32.21 H new ATOM 0 HG23 ILE A 79 -16.832 -37.359 -19.013 1.00 32.21 H new ATOM 0 HD11 ILE A 79 -15.992 -34.701 -23.006 1.00 50.20 H new ATOM 0 HD12 ILE A 79 -15.344 -33.985 -21.511 1.00 50.20 H new ATOM 0 HD13 ILE A 79 -14.374 -35.162 -22.427 1.00 50.20 H new ATOM 1238 N ASN A 80 -16.807 -33.390 -19.152 1.00 52.33 N ATOM 1239 CA ASN A 80 -18.041 -32.697 -18.780 1.00 2.04 C ATOM 1240 C ASN A 80 -19.114 -32.836 -19.859 1.00 60.11 C ATOM 1241 O ASN A 80 -19.796 -31.866 -20.201 1.00 23.20 O ATOM 1242 CB ASN A 80 -17.758 -31.211 -18.486 1.00 23.44 C ATOM 1243 CG ASN A 80 -17.096 -30.483 -19.646 1.00 12.41 C ATOM 1244 OD1 ASN A 80 -16.301 -31.062 -20.389 1.00 32.04 O ATOM 1245 ND2 ASN A 80 -17.424 -29.210 -19.810 1.00 24.31 N ATOM 0 H ASN A 80 -16.178 -32.839 -19.736 1.00 52.33 H new ATOM 0 HA ASN A 80 -18.423 -33.168 -17.874 1.00 2.04 H new ATOM 0 HB2 ASN A 80 -18.695 -30.712 -18.240 1.00 23.44 H new ATOM 0 HB3 ASN A 80 -17.118 -31.137 -17.607 1.00 23.44 H new ATOM 0 HD21 ASN A 80 -17.014 -28.672 -20.574 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -18.086 -28.768 -19.173 1.00 24.31 H new ATOM 1252 N ILE A 81 -19.276 -34.048 -20.386 1.00 22.21 N ATOM 1253 CA ILE A 81 -20.378 -34.342 -21.299 1.00 54.13 C ATOM 1254 C ILE A 81 -21.699 -34.358 -20.516 1.00 65.23 C ATOM 1255 O ILE A 81 -22.248 -35.412 -20.175 1.00 21.40 O ATOM 1256 CB ILE A 81 -20.155 -35.669 -22.082 1.00 63.43 C ATOM 1257 CG1 ILE A 81 -19.659 -36.788 -21.146 1.00 0.10 C ATOM 1258 CG2 ILE A 81 -19.173 -35.452 -23.235 1.00 45.20 C ATOM 1259 CD1 ILE A 81 -19.282 -38.072 -21.863 1.00 64.23 C ATOM 0 H ILE A 81 -18.661 -34.839 -20.197 1.00 22.21 H new ATOM 0 HA ILE A 81 -20.422 -33.554 -22.051 1.00 54.13 H new ATOM 0 HB ILE A 81 -21.113 -35.982 -22.498 1.00 63.43 H new ATOM 0 HG12 ILE A 81 -18.793 -36.426 -20.591 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -20.437 -37.007 -20.415 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -19.029 -36.390 -23.771 1.00 45.20 H new ATOM 0 HG22 ILE A 81 -19.573 -34.702 -23.917 1.00 45.20 H new ATOM 0 HG23 ILE A 81 -18.217 -35.110 -22.839 1.00 45.20 H new ATOM 0 HD11 ILE A 81 -18.943 -38.809 -21.135 1.00 64.23 H new ATOM 0 HD12 ILE A 81 -20.151 -38.460 -22.395 1.00 64.23 H new ATOM 0 HD13 ILE A 81 -18.481 -37.870 -22.574 1.00 64.23 H new ATOM 1271 N GLU A 82 -22.178 -33.146 -20.241 1.00 34.03 N ATOM 1272 CA GLU A 82 -23.257 -32.874 -19.291 1.00 12.21 C ATOM 1273 C GLU A 82 -24.478 -33.783 -19.455 1.00 64.13 C ATOM 1274 O GLU A 82 -25.019 -34.279 -18.464 1.00 42.22 O ATOM 1275 CB GLU A 82 -23.674 -31.404 -19.415 1.00 14.33 C ATOM 1276 CG GLU A 82 -24.069 -30.998 -20.833 1.00 12.32 C ATOM 1277 CD GLU A 82 -24.305 -29.506 -20.976 1.00 44.14 C ATOM 1278 OE1 GLU A 82 -25.452 -29.054 -20.782 1.00 64.21 O ATOM 1279 OE2 GLU A 82 -23.343 -28.774 -21.294 1.00 51.21 O1- ATOM 0 H GLU A 82 -21.816 -32.302 -20.685 1.00 34.03 H new ATOM 0 HA GLU A 82 -22.863 -33.087 -18.297 1.00 12.21 H new ATOM 0 HB2 GLU A 82 -24.513 -31.215 -18.745 1.00 14.33 H new ATOM 0 HB3 GLU A 82 -22.851 -30.772 -19.081 1.00 14.33 H new ATOM 0 HG2 GLU A 82 -23.285 -31.305 -21.525 1.00 12.32 H new ATOM 0 HG3 GLU A 82 -24.974 -31.533 -21.120 1.00 12.32 H new ATOM 1286 N ASP A 83 -24.919 -33.997 -20.687 1.00 63.52 N ATOM 1287 CA ASP A 83 -26.158 -34.739 -20.926 1.00 11.04 C ATOM 1288 C ASP A 83 -25.893 -36.238 -21.060 1.00 33.50 C ATOM 1289 O ASP A 83 -26.816 -37.050 -20.980 1.00 21.21 O ATOM 1290 CB ASP A 83 -26.871 -34.211 -22.178 1.00 23.45 C ATOM 1291 CG ASP A 83 -28.248 -34.831 -22.364 1.00 52.42 C ATOM 1292 OD1 ASP A 83 -28.410 -35.691 -23.253 1.00 43.25 O ATOM 1293 OD2 ASP A 83 -29.177 -34.468 -21.611 1.00 25.20 O1- ATOM 0 H ASP A 83 -24.446 -33.673 -21.531 1.00 63.52 H new ATOM 0 HA ASP A 83 -26.806 -34.587 -20.062 1.00 11.04 H new ATOM 0 HB2 ASP A 83 -26.969 -33.128 -22.108 1.00 23.45 H new ATOM 0 HB3 ASP A 83 -26.260 -34.419 -23.056 1.00 23.45 H new ATOM 1298 N ASN A 84 -24.627 -36.609 -21.219 1.00 32.21 N ATOM 1299 CA ASN A 84 -24.259 -38.010 -21.430 1.00 13.34 C ATOM 1300 C ASN A 84 -24.064 -38.712 -20.084 1.00 61.05 C ATOM 1301 O ASN A 84 -23.047 -39.366 -19.844 1.00 23.22 O ATOM 1302 CB ASN A 84 -22.982 -38.107 -22.279 1.00 61.11 C ATOM 1303 CG ASN A 84 -23.136 -37.461 -23.652 1.00 73.53 C ATOM 1304 OD1 ASN A 84 -22.867 -36.270 -23.828 1.00 44.50 O ATOM 1305 ND2 ASN A 84 -23.557 -38.240 -24.637 1.00 3.45 N ATOM 0 H ASN A 84 -23.838 -35.963 -21.206 1.00 32.21 H new ATOM 0 HA ASN A 84 -25.066 -38.507 -21.968 1.00 13.34 H new ATOM 0 HB2 ASN A 84 -22.160 -37.628 -21.747 1.00 61.11 H new ATOM 0 HB3 ASN A 84 -22.713 -39.156 -22.404 1.00 61.11 H new ATOM 0 HD21 ASN A 84 -23.668 -37.859 -25.577 1.00 3.45 H new ATOM 0 HD22 ASN A 84 -23.770 -39.221 -24.456 1.00 3.45 H new ATOM 1312 N GLN A 85 -25.061 -38.586 -19.211 1.00 14.34 N ATOM 1313 CA GLN A 85 -24.978 -39.129 -17.854 1.00 73.43 C ATOM 1314 C GLN A 85 -25.396 -40.599 -17.799 1.00 30.44 C ATOM 1315 O GLN A 85 -25.435 -41.196 -16.720 1.00 11.40 O ATOM 1316 CB GLN A 85 -25.846 -38.306 -16.892 1.00 62.01 C ATOM 1317 CG GLN A 85 -25.419 -36.847 -16.771 1.00 14.43 C ATOM 1318 CD GLN A 85 -26.224 -36.075 -15.741 1.00 52.52 C ATOM 1319 OE1 GLN A 85 -26.679 -36.632 -14.743 1.00 30.11 O ATOM 1320 NE2 GLN A 85 -26.403 -34.785 -15.976 1.00 22.33 N ATOM 0 H GLN A 85 -25.939 -38.111 -19.419 1.00 14.34 H new ATOM 0 HA GLN A 85 -23.934 -39.066 -17.546 1.00 73.43 H new ATOM 0 HB2 GLN A 85 -26.882 -38.345 -17.229 1.00 62.01 H new ATOM 0 HB3 GLN A 85 -25.815 -38.767 -15.905 1.00 62.01 H new ATOM 0 HG2 GLN A 85 -24.363 -36.805 -16.504 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -25.522 -36.363 -17.742 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -26.009 -34.360 -16.816 1.00 22.33 H new ATOM 0 HE22 GLN A 85 -26.935 -34.216 -15.317 1.00 22.33 H new ATOM 1329 N ASP A 86 -25.703 -41.186 -18.956 1.00 11.41 N ATOM 1330 CA ASP A 86 -26.060 -42.609 -19.026 1.00 44.11 C ATOM 1331 C ASP A 86 -24.975 -43.454 -18.364 1.00 63.32 C ATOM 1332 O ASP A 86 -25.263 -44.417 -17.647 1.00 33.14 O ATOM 1333 CB ASP A 86 -26.250 -43.055 -20.484 1.00 54.34 C ATOM 1334 CG ASP A 86 -27.393 -42.333 -21.176 1.00 51.54 C ATOM 1335 OD1 ASP A 86 -28.543 -42.822 -21.117 1.00 24.41 O ATOM 1336 OD2 ASP A 86 -27.145 -41.270 -21.785 1.00 5.23 O1- ATOM 0 H ASP A 86 -25.713 -40.704 -19.855 1.00 11.41 H new ATOM 0 HA ASP A 86 -27.002 -42.751 -18.496 1.00 44.11 H new ATOM 0 HB2 ASP A 86 -25.327 -42.878 -21.036 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -26.436 -44.129 -20.509 1.00 54.34 H new ATOM 1341 N VAL A 87 -23.726 -43.049 -18.587 1.00 53.31 N ATOM 1342 CA VAL A 87 -22.566 -43.715 -18.007 1.00 43.31 C ATOM 1343 C VAL A 87 -22.686 -43.769 -16.481 1.00 71.01 C ATOM 1344 O VAL A 87 -22.280 -44.746 -15.850 1.00 44.23 O ATOM 1345 CB VAL A 87 -21.253 -42.983 -18.403 1.00 24.23 C ATOM 1346 CG1 VAL A 87 -20.024 -43.711 -17.856 1.00 42.44 C ATOM 1347 CG2 VAL A 87 -21.160 -42.818 -19.922 1.00 22.14 C ATOM 0 H VAL A 87 -23.492 -42.249 -19.175 1.00 53.31 H new ATOM 0 HA VAL A 87 -22.533 -44.732 -18.399 1.00 43.31 H new ATOM 0 HB VAL A 87 -21.276 -41.990 -17.953 1.00 24.23 H new ATOM 0 HG11 VAL A 87 -19.122 -43.174 -18.150 1.00 42.44 H new ATOM 0 HG12 VAL A 87 -20.081 -43.755 -16.768 1.00 42.44 H new ATOM 0 HG13 VAL A 87 -19.991 -44.723 -18.259 1.00 42.44 H new ATOM 0 HG21 VAL A 87 -20.233 -42.303 -20.176 1.00 22.14 H new ATOM 0 HG22 VAL A 87 -21.172 -43.799 -20.396 1.00 22.14 H new ATOM 0 HG23 VAL A 87 -22.009 -42.234 -20.277 1.00 22.14 H new ATOM 1357 N ALA A 88 -23.280 -42.727 -15.900 1.00 74.24 N ATOM 1358 CA ALA A 88 -23.470 -42.655 -14.454 1.00 11.24 C ATOM 1359 C ALA A 88 -24.407 -43.760 -13.989 1.00 40.14 C ATOM 1360 O ALA A 88 -24.081 -44.529 -13.083 1.00 31.23 O ATOM 1361 CB ALA A 88 -24.014 -41.285 -14.048 1.00 44.41 C ATOM 0 H ALA A 88 -23.638 -41.920 -16.411 1.00 74.24 H new ATOM 0 HA ALA A 88 -22.502 -42.794 -13.972 1.00 11.24 H new ATOM 0 HB1 ALA A 88 -24.148 -41.253 -12.967 1.00 44.41 H new ATOM 0 HB2 ALA A 88 -23.309 -40.510 -14.350 1.00 44.41 H new ATOM 0 HB3 ALA A 88 -24.973 -41.114 -14.538 1.00 44.41 H new ATOM 1367 N THR A 89 -25.565 -43.842 -14.630 1.00 43.13 N ATOM 1368 CA THR A 89 -26.565 -44.845 -14.296 1.00 3.03 C ATOM 1369 C THR A 89 -26.024 -46.261 -14.530 1.00 72.34 C ATOM 1370 O THR A 89 -26.374 -47.198 -13.807 1.00 54.24 O ATOM 1371 CB THR A 89 -27.859 -44.619 -15.119 1.00 23.32 C ATOM 1372 OG1 THR A 89 -28.387 -43.309 -14.847 1.00 72.42 O ATOM 1373 CG2 THR A 89 -28.919 -45.668 -14.795 1.00 3.52 C ATOM 0 H THR A 89 -25.836 -43.219 -15.391 1.00 43.13 H new ATOM 0 HA THR A 89 -26.803 -44.743 -13.237 1.00 3.03 H new ATOM 0 HB THR A 89 -27.602 -44.707 -16.175 1.00 23.32 H new ATOM 0 HG1 THR A 89 -29.204 -43.170 -15.371 1.00 72.42 H new ATOM 0 HG21 THR A 89 -29.812 -45.479 -15.390 1.00 3.52 H new ATOM 0 HG22 THR A 89 -28.532 -46.660 -15.027 1.00 3.52 H new ATOM 0 HG23 THR A 89 -29.171 -45.616 -13.736 1.00 3.52 H new ATOM 1381 N GLN A 90 -25.158 -46.408 -15.533 1.00 45.13 N ATOM 1382 CA GLN A 90 -24.555 -47.705 -15.846 1.00 11.14 C ATOM 1383 C GLN A 90 -23.569 -48.137 -14.760 1.00 24.42 C ATOM 1384 O GLN A 90 -23.685 -49.231 -14.207 1.00 33.43 O ATOM 1385 CB GLN A 90 -23.852 -47.664 -17.213 1.00 21.33 C ATOM 1386 CG GLN A 90 -24.806 -47.484 -18.390 1.00 23.40 C ATOM 1387 CD GLN A 90 -25.803 -48.625 -18.522 1.00 32.12 C ATOM 1388 OE1 GLN A 90 -25.514 -49.768 -18.170 1.00 31.51 O ATOM 1389 NE2 GLN A 90 -26.990 -48.317 -19.014 1.00 52.44 N ATOM 0 H GLN A 90 -24.858 -45.647 -16.142 1.00 45.13 H new ATOM 0 HA GLN A 90 -25.359 -48.439 -15.887 1.00 11.14 H new ATOM 0 HB2 GLN A 90 -23.129 -46.848 -17.215 1.00 21.33 H new ATOM 0 HB3 GLN A 90 -23.290 -48.588 -17.350 1.00 21.33 H new ATOM 0 HG2 GLN A 90 -25.348 -46.546 -18.272 1.00 23.40 H new ATOM 0 HG3 GLN A 90 -24.228 -47.404 -19.311 1.00 23.40 H new ATOM 0 HE21 GLN A 90 -27.192 -47.358 -19.295 1.00 52.44 H new ATOM 0 HE22 GLN A 90 -27.704 -49.039 -19.113 1.00 52.44 H new ATOM 1398 N TYR A 91 -22.607 -47.270 -14.452 1.00 23.00 N ATOM 1399 CA TYR A 91 -21.556 -47.596 -13.484 1.00 63.04 C ATOM 1400 C TYR A 91 -22.047 -47.444 -12.041 1.00 53.41 C ATOM 1401 O TYR A 91 -21.359 -47.852 -11.099 1.00 53.15 O ATOM 1402 CB TYR A 91 -20.310 -46.737 -13.741 1.00 50.03 C ATOM 1403 CG TYR A 91 -19.536 -47.171 -14.976 1.00 40.41 C ATOM 1404 CD1 TYR A 91 -18.277 -47.762 -14.868 1.00 1.24 C ATOM 1405 CD2 TYR A 91 -20.070 -47.005 -16.251 1.00 62.23 C ATOM 1406 CE1 TYR A 91 -17.584 -48.175 -15.989 1.00 31.01 C ATOM 1407 CE2 TYR A 91 -19.377 -47.415 -17.374 1.00 43.30 C ATOM 1408 CZ TYR A 91 -18.137 -47.996 -17.238 1.00 51.11 C ATOM 1409 OH TYR A 91 -17.452 -48.416 -18.357 1.00 21.33 O ATOM 0 H TYR A 91 -22.531 -46.337 -14.857 1.00 23.00 H new ATOM 0 HA TYR A 91 -21.287 -48.644 -13.620 1.00 63.04 H new ATOM 0 HB2 TYR A 91 -20.610 -45.695 -13.854 1.00 50.03 H new ATOM 0 HB3 TYR A 91 -19.655 -46.787 -12.871 1.00 50.03 H new ATOM 0 HD1 TYR A 91 -17.837 -47.899 -13.891 1.00 1.24 H new ATOM 0 HD2 TYR A 91 -21.042 -46.548 -16.364 1.00 62.23 H new ATOM 0 HE1 TYR A 91 -16.613 -48.636 -15.887 1.00 31.01 H new ATOM 0 HE2 TYR A 91 -19.807 -47.280 -18.355 1.00 43.30 H new ATOM 0 HH TYR A 91 -17.981 -48.217 -19.158 1.00 21.33 H new ATOM 1419 N GLY A 92 -23.229 -46.856 -11.875 1.00 22.12 N ATOM 1420 CA GLY A 92 -23.867 -46.817 -10.570 1.00 65.55 C ATOM 1421 C GLY A 92 -23.462 -45.617 -9.732 1.00 41.00 C ATOM 1422 O GLY A 92 -23.207 -45.750 -8.533 1.00 12.12 O ATOM 0 H GLY A 92 -23.757 -46.405 -12.622 1.00 22.12 H new ATOM 0 HA2 GLY A 92 -24.949 -46.808 -10.704 1.00 65.55 H new ATOM 0 HA3 GLY A 92 -23.620 -47.729 -10.027 1.00 65.55 H new ATOM 1426 N VAL A 93 -23.400 -44.448 -10.356 1.00 13.51 N ATOM 1427 CA VAL A 93 -23.140 -43.206 -9.633 1.00 13.34 C ATOM 1428 C VAL A 93 -24.455 -42.643 -9.096 1.00 30.02 C ATOM 1429 O VAL A 93 -25.461 -42.622 -9.806 1.00 73.22 O ATOM 1430 CB VAL A 93 -22.448 -42.152 -10.534 1.00 53.43 C ATOM 1431 CG1 VAL A 93 -22.260 -40.832 -9.783 1.00 75.31 C ATOM 1432 CG2 VAL A 93 -21.112 -42.687 -11.050 1.00 13.21 C ATOM 0 H VAL A 93 -23.526 -44.332 -11.361 1.00 13.51 H new ATOM 0 HA VAL A 93 -22.465 -43.432 -8.807 1.00 13.34 H new ATOM 0 HB VAL A 93 -23.091 -41.956 -11.392 1.00 53.43 H new ATOM 0 HG11 VAL A 93 -21.772 -40.108 -10.436 1.00 75.31 H new ATOM 0 HG12 VAL A 93 -23.232 -40.446 -9.476 1.00 75.31 H new ATOM 0 HG13 VAL A 93 -21.641 -41.000 -8.901 1.00 75.31 H new ATOM 0 HG21 VAL A 93 -20.638 -41.935 -11.681 1.00 13.21 H new ATOM 0 HG22 VAL A 93 -20.461 -42.915 -10.206 1.00 13.21 H new ATOM 0 HG23 VAL A 93 -21.283 -43.593 -11.631 1.00 13.21 H new ATOM 1442 N SER A 94 -24.447 -42.201 -7.844 1.00 15.51 N ATOM 1443 CA SER A 94 -25.670 -41.750 -7.185 1.00 63.12 C ATOM 1444 C SER A 94 -25.475 -40.412 -6.463 1.00 52.01 C ATOM 1445 O SER A 94 -26.406 -39.899 -5.841 1.00 33.01 O ATOM 1446 CB SER A 94 -26.117 -42.816 -6.182 1.00 45.35 C ATOM 1447 OG SER A 94 -26.211 -44.094 -6.794 1.00 22.42 O ATOM 0 H SER A 94 -23.610 -42.145 -7.264 1.00 15.51 H new ATOM 0 HA SER A 94 -26.432 -41.600 -7.950 1.00 63.12 H new ATOM 0 HB2 SER A 94 -25.410 -42.858 -5.354 1.00 45.35 H new ATOM 0 HB3 SER A 94 -27.084 -42.540 -5.762 1.00 45.35 H new ATOM 0 HG SER A 94 -26.497 -44.755 -6.129 1.00 22.42 H new ATOM 1453 N ALA A 95 -24.276 -39.841 -6.550 1.00 12.01 N ATOM 1454 CA ALA A 95 -23.959 -38.624 -5.807 1.00 52.44 C ATOM 1455 C ALA A 95 -23.148 -37.647 -6.649 1.00 22.24 C ATOM 1456 O ALA A 95 -22.486 -38.037 -7.614 1.00 22.21 O ATOM 1457 CB ALA A 95 -23.211 -38.970 -4.524 1.00 0.24 C ATOM 0 H ALA A 95 -23.512 -40.199 -7.124 1.00 12.01 H new ATOM 0 HA ALA A 95 -24.899 -38.135 -5.550 1.00 52.44 H new ATOM 0 HB1 ALA A 95 -22.980 -38.055 -3.979 1.00 0.24 H new ATOM 0 HB2 ALA A 95 -23.833 -39.615 -3.903 1.00 0.24 H new ATOM 0 HB3 ALA A 95 -22.284 -39.488 -4.771 1.00 0.24 H new ATOM 1463 N ILE A 96 -23.219 -36.371 -6.282 1.00 40.13 N ATOM 1464 CA ILE A 96 -22.444 -35.323 -6.939 1.00 41.53 C ATOM 1465 C ILE A 96 -21.633 -34.538 -5.900 1.00 24.21 C ATOM 1466 O ILE A 96 -22.199 -33.982 -4.958 1.00 22.54 O ATOM 1467 CB ILE A 96 -23.353 -34.348 -7.743 1.00 44.03 C ATOM 1468 CG1 ILE A 96 -24.496 -33.816 -6.862 1.00 70.20 C ATOM 1469 CG2 ILE A 96 -23.903 -35.036 -8.993 1.00 72.40 C ATOM 1470 CD1 ILE A 96 -25.399 -32.815 -7.554 1.00 75.51 C ATOM 0 H ILE A 96 -23.813 -36.035 -5.524 1.00 40.13 H new ATOM 0 HA ILE A 96 -21.768 -35.807 -7.644 1.00 41.53 H new ATOM 0 HB ILE A 96 -22.749 -33.498 -8.059 1.00 44.03 H new ATOM 0 HG12 ILE A 96 -25.099 -34.658 -6.521 1.00 70.20 H new ATOM 0 HG13 ILE A 96 -24.069 -33.350 -5.974 1.00 70.20 H new ATOM 0 HG21 ILE A 96 -24.536 -34.340 -9.543 1.00 72.40 H new ATOM 0 HG22 ILE A 96 -23.076 -35.353 -9.628 1.00 72.40 H new ATOM 0 HG23 ILE A 96 -24.490 -35.907 -8.701 1.00 72.40 H new ATOM 0 HD11 ILE A 96 -26.178 -32.490 -6.864 1.00 75.51 H new ATOM 0 HD12 ILE A 96 -24.812 -31.953 -7.870 1.00 75.51 H new ATOM 0 HD13 ILE A 96 -25.858 -33.281 -8.426 1.00 75.51 H new ATOM 1482 N PRO A 97 -20.292 -34.487 -6.039 1.00 41.14 N ATOM 1483 CA PRO A 97 -19.560 -35.146 -7.126 1.00 50.44 C ATOM 1484 C PRO A 97 -19.239 -36.614 -6.817 1.00 2.04 C ATOM 1485 O PRO A 97 -19.702 -37.172 -5.816 1.00 63.12 O ATOM 1486 CB PRO A 97 -18.277 -34.315 -7.201 1.00 4.13 C ATOM 1487 CG PRO A 97 -18.020 -33.909 -5.786 1.00 64.14 C ATOM 1488 CD PRO A 97 -19.377 -33.770 -5.128 1.00 35.15 C ATOM 0 HA PRO A 97 -20.130 -35.183 -8.054 1.00 50.44 H new ATOM 0 HB2 PRO A 97 -17.449 -34.897 -7.605 1.00 4.13 H new ATOM 0 HB3 PRO A 97 -18.402 -33.447 -7.848 1.00 4.13 H new ATOM 0 HG2 PRO A 97 -17.414 -34.655 -5.272 1.00 64.14 H new ATOM 0 HG3 PRO A 97 -17.471 -32.969 -5.745 1.00 64.14 H new ATOM 0 HD2 PRO A 97 -19.383 -34.208 -4.130 1.00 35.15 H new ATOM 0 HD3 PRO A 97 -19.662 -32.724 -5.018 1.00 35.15 H new ATOM 1496 N THR A 98 -18.449 -37.221 -7.690 1.00 51.24 N ATOM 1497 CA THR A 98 -17.999 -38.599 -7.529 1.00 74.00 C ATOM 1498 C THR A 98 -16.579 -38.729 -8.071 1.00 5.01 C ATOM 1499 O THR A 98 -16.306 -38.332 -9.199 1.00 43.51 O ATOM 1500 CB THR A 98 -18.931 -39.593 -8.266 1.00 21.00 C ATOM 1501 OG1 THR A 98 -20.225 -39.600 -7.647 1.00 33.40 O ATOM 1502 CG2 THR A 98 -18.360 -41.012 -8.266 1.00 73.42 C ATOM 0 H THR A 98 -18.099 -36.770 -8.535 1.00 51.24 H new ATOM 0 HA THR A 98 -18.022 -38.845 -6.467 1.00 74.00 H new ATOM 0 HB THR A 98 -19.014 -39.261 -9.301 1.00 21.00 H new ATOM 0 HG1 THR A 98 -20.728 -38.809 -7.932 1.00 33.40 H new ATOM 0 HG21 THR A 98 -19.043 -41.679 -8.792 1.00 73.42 H new ATOM 0 HG22 THR A 98 -17.392 -41.015 -8.767 1.00 73.42 H new ATOM 0 HG23 THR A 98 -18.238 -41.355 -7.239 1.00 73.42 H new ATOM 1510 N ILE A 99 -15.682 -39.283 -7.267 1.00 33.32 N ATOM 1511 CA ILE A 99 -14.271 -39.354 -7.627 1.00 62.41 C ATOM 1512 C ILE A 99 -13.853 -40.792 -7.922 1.00 30.42 C ATOM 1513 O ILE A 99 -13.909 -41.655 -7.042 1.00 23.12 O ATOM 1514 CB ILE A 99 -13.382 -38.780 -6.491 1.00 11.51 C ATOM 1515 CG1 ILE A 99 -13.725 -37.299 -6.235 1.00 44.42 C ATOM 1516 CG2 ILE A 99 -11.895 -38.944 -6.819 1.00 43.23 C ATOM 1517 CD1 ILE A 99 -13.507 -36.399 -7.434 1.00 13.43 C ATOM 0 H ILE A 99 -15.906 -39.691 -6.359 1.00 33.32 H new ATOM 0 HA ILE A 99 -14.132 -38.754 -8.526 1.00 62.41 H new ATOM 0 HB ILE A 99 -13.587 -39.344 -5.581 1.00 11.51 H new ATOM 0 HG12 ILE A 99 -14.767 -37.227 -5.924 1.00 44.42 H new ATOM 0 HG13 ILE A 99 -13.119 -36.935 -5.405 1.00 44.42 H new ATOM 0 HG21 ILE A 99 -11.296 -38.533 -6.006 1.00 43.23 H new ATOM 0 HG22 ILE A 99 -11.664 -40.002 -6.941 1.00 43.23 H new ATOM 0 HG23 ILE A 99 -11.666 -38.413 -7.743 1.00 43.23 H new ATOM 0 HD11 ILE A 99 -13.771 -35.374 -7.173 1.00 13.43 H new ATOM 0 HD12 ILE A 99 -12.460 -36.439 -7.733 1.00 13.43 H new ATOM 0 HD13 ILE A 99 -14.133 -36.735 -8.260 1.00 13.43 H new ATOM 1529 N LEU A 100 -13.460 -41.043 -9.168 1.00 43.14 N ATOM 1530 CA LEU A 100 -12.914 -42.339 -9.562 1.00 54.31 C ATOM 1531 C LEU A 100 -11.392 -42.258 -9.588 1.00 72.51 C ATOM 1532 O LEU A 100 -10.830 -41.412 -10.279 1.00 11.02 O ATOM 1533 CB LEU A 100 -13.434 -42.744 -10.950 1.00 62.44 C ATOM 1534 CG LEU A 100 -14.963 -42.795 -11.093 1.00 2.41 C ATOM 1535 CD1 LEU A 100 -15.356 -43.289 -12.481 1.00 3.04 C ATOM 1536 CD2 LEU A 100 -15.585 -43.677 -10.011 1.00 53.13 C ATOM 0 H LEU A 100 -13.510 -40.362 -9.926 1.00 43.14 H new ATOM 0 HA LEU A 100 -13.232 -43.091 -8.840 1.00 54.31 H new ATOM 0 HB2 LEU A 100 -13.041 -42.042 -11.685 1.00 62.44 H new ATOM 0 HB3 LEU A 100 -13.030 -43.725 -11.198 1.00 62.44 H new ATOM 0 HG LEU A 100 -15.348 -41.783 -10.966 1.00 2.41 H new ATOM 0 HD11 LEU A 100 -16.443 -43.318 -12.563 1.00 3.04 H new ATOM 0 HD12 LEU A 100 -14.953 -42.613 -13.235 1.00 3.04 H new ATOM 0 HD13 LEU A 100 -14.953 -44.290 -12.639 1.00 3.04 H new ATOM 0 HD21 LEU A 100 -16.668 -43.696 -10.135 1.00 53.13 H new ATOM 0 HD22 LEU A 100 -15.192 -44.690 -10.097 1.00 53.13 H new ATOM 0 HD23 LEU A 100 -15.339 -43.275 -9.028 1.00 53.13 H new ATOM 1548 N MET A 101 -10.730 -43.124 -8.836 1.00 11.43 N ATOM 1549 CA MET A 101 -9.271 -43.121 -8.780 1.00 4.10 C ATOM 1550 C MET A 101 -8.705 -44.183 -9.720 1.00 43.12 C ATOM 1551 O MET A 101 -9.295 -45.252 -9.885 1.00 65.12 O ATOM 1552 CB MET A 101 -8.765 -43.366 -7.342 1.00 31.24 C ATOM 1553 CG MET A 101 -9.304 -42.379 -6.314 1.00 63.31 C ATOM 1554 SD MET A 101 -8.327 -42.344 -4.799 1.00 12.02 S ATOM 1555 CE MET A 101 -8.992 -40.873 -4.026 1.00 54.53 C ATOM 0 H MET A 101 -11.175 -43.836 -8.257 1.00 11.43 H new ATOM 0 HA MET A 101 -8.925 -42.138 -9.099 1.00 4.10 H new ATOM 0 HB2 MET A 101 -9.041 -44.376 -7.039 1.00 31.24 H new ATOM 0 HB3 MET A 101 -7.676 -43.318 -7.339 1.00 31.24 H new ATOM 0 HG2 MET A 101 -9.324 -41.381 -6.751 1.00 63.31 H new ATOM 0 HG3 MET A 101 -10.334 -42.641 -6.071 1.00 63.31 H new ATOM 0 HE1 MET A 101 -8.358 -40.585 -3.187 1.00 54.53 H new ATOM 0 HE2 MET A 101 -9.023 -40.062 -4.753 1.00 54.53 H new ATOM 0 HE3 MET A 101 -10.001 -41.076 -3.666 1.00 54.53 H new ATOM 1565 N PHE A 102 -7.565 -43.880 -10.342 1.00 13.11 N ATOM 1566 CA PHE A 102 -6.855 -44.838 -11.198 1.00 71.35 C ATOM 1567 C PHE A 102 -5.345 -44.663 -11.038 1.00 34.00 C ATOM 1568 O PHE A 102 -4.873 -43.544 -10.847 1.00 61.02 O ATOM 1569 CB PHE A 102 -7.244 -44.646 -12.676 1.00 21.10 C ATOM 1570 CG PHE A 102 -8.699 -44.917 -12.973 1.00 2.32 C ATOM 1571 CD1 PHE A 102 -9.600 -43.871 -13.137 1.00 2.42 C ATOM 1572 CD2 PHE A 102 -9.165 -46.218 -13.089 1.00 24.22 C ATOM 1573 CE1 PHE A 102 -10.931 -44.119 -13.407 1.00 61.40 C ATOM 1574 CE2 PHE A 102 -10.497 -46.471 -13.360 1.00 73.14 C ATOM 1575 CZ PHE A 102 -11.382 -45.421 -13.520 1.00 3.41 C ATOM 0 H PHE A 102 -7.108 -42.971 -10.269 1.00 13.11 H new ATOM 0 HA PHE A 102 -7.139 -45.845 -10.891 1.00 71.35 H new ATOM 0 HB2 PHE A 102 -7.009 -43.624 -12.972 1.00 21.10 H new ATOM 0 HB3 PHE A 102 -6.630 -45.305 -13.290 1.00 21.10 H new ATOM 0 HD1 PHE A 102 -9.254 -42.851 -13.052 1.00 2.42 H new ATOM 0 HD2 PHE A 102 -8.479 -47.043 -12.966 1.00 24.22 H new ATOM 0 HE1 PHE A 102 -11.620 -43.296 -13.530 1.00 61.40 H new ATOM 0 HE2 PHE A 102 -10.846 -47.489 -13.447 1.00 73.14 H new ATOM 0 HZ PHE A 102 -12.423 -45.617 -13.733 1.00 3.41 H new ATOM 1585 N LYS A 103 -4.586 -45.761 -11.103 1.00 14.01 N ATOM 1586 CA LYS A 103 -3.120 -45.674 -11.055 1.00 2.12 C ATOM 1587 C LYS A 103 -2.498 -46.505 -12.169 1.00 22.12 C ATOM 1588 O LYS A 103 -2.482 -47.732 -12.094 1.00 72.21 O ATOM 1589 CB LYS A 103 -2.577 -46.138 -9.688 1.00 74.24 C ATOM 1590 CG LYS A 103 -1.047 -46.248 -9.628 1.00 43.03 C ATOM 1591 CD LYS A 103 -0.549 -46.647 -8.233 1.00 41.12 C ATOM 1592 CE LYS A 103 0.946 -46.955 -8.217 1.00 53.33 C ATOM 1593 NZ LYS A 103 1.302 -48.129 -9.056 1.00 71.52 N1+ ATOM 0 H LYS A 103 -4.954 -46.709 -11.188 1.00 14.01 H new ATOM 0 HA LYS A 103 -2.846 -44.628 -11.196 1.00 2.12 H new ATOM 0 HB2 LYS A 103 -2.911 -45.440 -8.920 1.00 74.24 H new ATOM 0 HB3 LYS A 103 -3.010 -47.109 -9.447 1.00 74.24 H new ATOM 0 HG2 LYS A 103 -0.709 -46.984 -10.357 1.00 43.03 H new ATOM 0 HG3 LYS A 103 -0.604 -45.293 -9.910 1.00 43.03 H new ATOM 0 HD2 LYS A 103 -0.759 -45.841 -7.530 1.00 41.12 H new ATOM 0 HD3 LYS A 103 -1.101 -47.521 -7.889 1.00 41.12 H new ATOM 0 HE2 LYS A 103 1.496 -46.082 -8.570 1.00 53.33 H new ATOM 0 HE3 LYS A 103 1.263 -47.138 -7.190 1.00 53.33 H new ATOM 0 HZ1 LYS A 103 1.775 -48.845 -8.468 1.00 71.52 H new ATOM 0 HZ2 LYS A 103 0.438 -48.535 -9.469 1.00 71.52 H new ATOM 0 HZ3 LYS A 103 1.943 -47.829 -9.818 1.00 71.52 H new ATOM 1607 N ASN A 104 -2.000 -45.827 -13.209 1.00 41.43 N ATOM 1608 CA ASN A 104 -1.313 -46.495 -14.322 1.00 72.22 C ATOM 1609 C ASN A 104 -2.248 -47.513 -14.987 1.00 0.14 C ATOM 1610 O ASN A 104 -1.817 -48.541 -15.515 1.00 72.20 O ATOM 1611 CB ASN A 104 -0.028 -47.174 -13.812 1.00 20.21 C ATOM 1612 CG ASN A 104 0.821 -47.774 -14.924 1.00 24.30 C ATOM 1613 OD1 ASN A 104 0.853 -47.267 -16.048 1.00 10.43 O ATOM 1614 ND2 ASN A 104 1.509 -48.863 -14.618 1.00 31.24 N ATOM 0 H ASN A 104 -2.060 -44.813 -13.304 1.00 41.43 H new ATOM 0 HA ASN A 104 -1.035 -45.753 -15.071 1.00 72.22 H new ATOM 0 HB2 ASN A 104 0.567 -46.443 -13.264 1.00 20.21 H new ATOM 0 HB3 ASN A 104 -0.297 -47.960 -13.106 1.00 20.21 H new ATOM 0 HD21 ASN A 104 2.092 -49.313 -15.324 1.00 31.24 H new ATOM 0 HD22 ASN A 104 1.456 -49.252 -13.677 1.00 31.24 H new ATOM 1621 N GLY A 105 -3.540 -47.214 -14.951 1.00 32.31 N ATOM 1622 CA GLY A 105 -4.534 -48.106 -15.521 1.00 42.31 C ATOM 1623 C GLY A 105 -5.027 -49.139 -14.525 1.00 34.43 C ATOM 1624 O GLY A 105 -6.067 -49.767 -14.741 1.00 43.11 O ATOM 0 H GLY A 105 -3.920 -46.364 -14.535 1.00 32.31 H new ATOM 0 HA2 GLY A 105 -5.380 -47.520 -15.880 1.00 42.31 H new ATOM 0 HA3 GLY A 105 -4.108 -48.614 -16.386 1.00 42.31 H new ATOM 1628 N LYS A 106 -4.285 -49.317 -13.435 1.00 12.22 N ATOM 1629 CA LYS A 106 -4.653 -50.276 -12.399 1.00 63.04 C ATOM 1630 C LYS A 106 -5.796 -49.707 -11.555 1.00 35.11 C ATOM 1631 O LYS A 106 -5.815 -48.500 -11.248 1.00 44.30 O ATOM 1632 CB LYS A 106 -3.430 -50.624 -11.520 1.00 13.01 C ATOM 1633 CG LYS A 106 -3.508 -51.989 -10.821 1.00 24.15 C ATOM 1634 CD LYS A 106 -4.449 -51.996 -9.615 1.00 53.23 C ATOM 1635 CE LYS A 106 -3.876 -51.217 -8.435 1.00 13.04 C ATOM 1636 NZ LYS A 106 -2.650 -51.858 -7.896 1.00 41.10 N1+ ATOM 0 H LYS A 106 -3.422 -48.807 -13.247 1.00 12.22 H new ATOM 0 HA LYS A 106 -4.993 -51.198 -12.869 1.00 63.04 H new ATOM 0 HB2 LYS A 106 -2.535 -50.600 -12.141 1.00 13.01 H new ATOM 0 HB3 LYS A 106 -3.313 -49.849 -10.762 1.00 13.01 H new ATOM 0 HG2 LYS A 106 -3.842 -52.739 -11.538 1.00 24.15 H new ATOM 0 HG3 LYS A 106 -2.509 -52.281 -10.496 1.00 24.15 H new ATOM 0 HD2 LYS A 106 -5.408 -51.565 -9.902 1.00 53.23 H new ATOM 0 HD3 LYS A 106 -4.640 -53.025 -9.311 1.00 53.23 H new ATOM 0 HE2 LYS A 106 -3.646 -50.199 -8.749 1.00 13.04 H new ATOM 0 HE3 LYS A 106 -4.626 -51.146 -7.647 1.00 13.04 H new ATOM 0 HZ1 LYS A 106 -2.444 -51.474 -6.952 1.00 41.10 H new ATOM 0 HZ2 LYS A 106 -2.797 -52.885 -7.827 1.00 41.10 H new ATOM 0 HZ3 LYS A 106 -1.849 -51.665 -8.531 1.00 41.10 H new ATOM 1650 N LYS A 107 -6.738 -50.586 -11.203 1.00 44.23 N ATOM 1651 CA LYS A 107 -7.942 -50.215 -10.464 1.00 71.41 C ATOM 1652 C LYS A 107 -7.579 -49.551 -9.136 1.00 52.45 C ATOM 1653 O LYS A 107 -6.668 -49.986 -8.432 1.00 11.33 O ATOM 1654 CB LYS A 107 -8.829 -51.457 -10.237 1.00 63.10 C ATOM 1655 CG LYS A 107 -10.317 -51.147 -10.018 1.00 42.24 C ATOM 1656 CD LYS A 107 -10.628 -50.655 -8.604 1.00 71.43 C ATOM 1657 CE LYS A 107 -12.080 -50.201 -8.466 1.00 14.53 C ATOM 1658 NZ LYS A 107 -13.045 -51.282 -8.809 1.00 70.01 N1+ ATOM 0 H LYS A 107 -6.684 -51.580 -11.425 1.00 44.23 H new ATOM 0 HA LYS A 107 -8.506 -49.492 -11.054 1.00 71.41 H new ATOM 0 HB2 LYS A 107 -8.732 -52.119 -11.097 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -8.453 -52.002 -9.371 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -10.634 -50.391 -10.737 1.00 42.24 H new ATOM 0 HG3 LYS A 107 -10.902 -52.044 -10.220 1.00 42.24 H new ATOM 0 HD2 LYS A 107 -10.428 -51.453 -7.889 1.00 71.43 H new ATOM 0 HD3 LYS A 107 -9.964 -49.828 -8.353 1.00 71.43 H new ATOM 0 HE2 LYS A 107 -12.259 -49.868 -7.443 1.00 14.53 H new ATOM 0 HE3 LYS A 107 -12.253 -49.343 -9.115 1.00 14.53 H new ATOM 0 HZ1 LYS A 107 -14.013 -50.961 -8.604 1.00 70.01 H new ATOM 0 HZ2 LYS A 107 -12.963 -51.512 -9.820 1.00 70.01 H new ATOM 0 HZ3 LYS A 107 -12.834 -52.129 -8.243 1.00 70.01 H new ATOM 1672 N LEU A 108 -8.324 -48.512 -8.811 1.00 60.01 N ATOM 1673 CA LEU A 108 -8.047 -47.635 -7.686 1.00 60.42 C ATOM 1674 C LEU A 108 -9.377 -47.150 -7.105 1.00 41.03 C ATOM 1675 O LEU A 108 -10.432 -47.358 -7.710 1.00 12.22 O ATOM 1676 CB LEU A 108 -7.124 -46.469 -8.092 1.00 52.31 C ATOM 1677 CG LEU A 108 -5.791 -46.368 -7.323 1.00 61.41 C ATOM 1678 CD1 LEU A 108 -6.042 -46.157 -5.833 1.00 21.14 C ATOM 1679 CD2 LEU A 108 -4.926 -47.606 -7.560 1.00 11.12 C ATOM 0 H LEU A 108 -9.159 -48.247 -9.333 1.00 60.01 H new ATOM 0 HA LEU A 108 -7.507 -48.185 -6.915 1.00 60.42 H new ATOM 0 HB2 LEU A 108 -6.902 -46.560 -9.155 1.00 52.31 H new ATOM 0 HB3 LEU A 108 -7.670 -45.535 -7.959 1.00 52.31 H new ATOM 0 HG LEU A 108 -5.247 -45.503 -7.702 1.00 61.41 H new ATOM 0 HD11 LEU A 108 -5.088 -46.089 -5.310 1.00 21.14 H new ATOM 0 HD12 LEU A 108 -6.604 -45.235 -5.686 1.00 21.14 H new ATOM 0 HD13 LEU A 108 -6.613 -46.997 -5.438 1.00 21.14 H new ATOM 0 HD21 LEU A 108 -3.992 -47.509 -7.006 1.00 11.12 H new ATOM 0 HD22 LEU A 108 -5.459 -48.493 -7.219 1.00 11.12 H new ATOM 0 HD23 LEU A 108 -4.709 -47.700 -8.624 1.00 11.12 H new ATOM 1691 N SER A 109 -9.327 -46.535 -5.934 1.00 60.43 N ATOM 1692 CA SER A 109 -10.496 -46.358 -5.079 1.00 11.20 C ATOM 1693 C SER A 109 -11.514 -45.357 -5.632 1.00 20.34 C ATOM 1694 O SER A 109 -11.307 -44.726 -6.666 1.00 72.41 O ATOM 1695 CB SER A 109 -10.000 -45.841 -3.729 1.00 32.42 C ATOM 1696 OG SER A 109 -9.451 -46.883 -2.941 1.00 42.25 O ATOM 0 H SER A 109 -8.470 -46.141 -5.545 1.00 60.43 H new ATOM 0 HA SER A 109 -11.005 -47.319 -5.008 1.00 11.20 H new ATOM 0 HB2 SER A 109 -9.247 -45.069 -3.889 1.00 32.42 H new ATOM 0 HB3 SER A 109 -10.826 -45.374 -3.192 1.00 32.42 H new ATOM 0 HG SER A 109 -8.650 -46.557 -2.480 1.00 42.25 H new ATOM 1702 N GLN A 110 -12.636 -45.245 -4.921 1.00 61.23 N ATOM 1703 CA GLN A 110 -13.758 -44.424 -5.353 1.00 74.54 C ATOM 1704 C GLN A 110 -14.382 -43.713 -4.181 1.00 60.21 C ATOM 1705 O GLN A 110 -14.494 -44.250 -3.075 1.00 10.33 O ATOM 1706 CB GLN A 110 -14.800 -45.291 -6.077 1.00 11.44 C ATOM 1707 CG GLN A 110 -16.060 -44.540 -6.504 1.00 71.21 C ATOM 1708 CD GLN A 110 -17.116 -45.447 -7.121 1.00 13.41 C ATOM 1709 OE1 GLN A 110 -17.225 -46.625 -6.775 1.00 25.31 O ATOM 1710 NE2 GLN A 110 -17.901 -44.903 -8.042 1.00 4.42 N ATOM 0 H GLN A 110 -12.789 -45.721 -4.032 1.00 61.23 H new ATOM 0 HA GLN A 110 -13.388 -43.670 -6.047 1.00 74.54 H new ATOM 0 HB2 GLN A 110 -14.338 -45.731 -6.960 1.00 11.44 H new ATOM 0 HB3 GLN A 110 -15.087 -46.115 -5.423 1.00 11.44 H new ATOM 0 HG2 GLN A 110 -16.486 -44.034 -5.637 1.00 71.21 H new ATOM 0 HG3 GLN A 110 -15.789 -43.767 -7.223 1.00 71.21 H new ATOM 0 HE21 GLN A 110 -17.780 -43.924 -8.302 1.00 4.42 H new ATOM 0 HE22 GLN A 110 -18.626 -45.464 -8.490 1.00 4.42 H new ATOM 1719 N VAL A 111 -14.778 -42.487 -4.448 1.00 70.11 N ATOM 1720 CA VAL A 111 -15.297 -41.607 -3.442 1.00 60.35 C ATOM 1721 C VAL A 111 -16.691 -41.125 -3.840 1.00 22.32 C ATOM 1722 O VAL A 111 -16.856 -40.431 -4.846 1.00 33.31 O ATOM 1723 CB VAL A 111 -14.354 -40.402 -3.252 1.00 32.14 C ATOM 1724 CG1 VAL A 111 -14.761 -39.620 -2.031 1.00 22.02 C ATOM 1725 CG2 VAL A 111 -12.893 -40.850 -3.150 1.00 44.03 C ATOM 0 H VAL A 111 -14.745 -42.076 -5.381 1.00 70.11 H new ATOM 0 HA VAL A 111 -15.366 -42.150 -2.499 1.00 60.35 H new ATOM 0 HB VAL A 111 -14.438 -39.758 -4.127 1.00 32.14 H new ATOM 0 HG11 VAL A 111 -14.090 -38.770 -1.903 1.00 22.02 H new ATOM 0 HG12 VAL A 111 -15.783 -39.261 -2.153 1.00 22.02 H new ATOM 0 HG13 VAL A 111 -14.705 -40.262 -1.152 1.00 22.02 H new ATOM 0 HG21 VAL A 111 -12.253 -39.978 -3.017 1.00 44.03 H new ATOM 0 HG22 VAL A 111 -12.776 -41.519 -2.298 1.00 44.03 H new ATOM 0 HG23 VAL A 111 -12.608 -41.373 -4.063 1.00 44.03 H new ATOM 1735 N ILE A 112 -17.685 -41.525 -3.057 1.00 51.33 N ATOM 1736 CA ILE A 112 -19.078 -41.165 -3.308 1.00 62.14 C ATOM 1737 C ILE A 112 -19.537 -40.123 -2.295 1.00 15.21 C ATOM 1738 O ILE A 112 -19.497 -40.362 -1.087 1.00 22.02 O ATOM 1739 CB ILE A 112 -20.010 -42.401 -3.216 1.00 32.24 C ATOM 1740 CG1 ILE A 112 -19.568 -43.496 -4.206 1.00 3.11 C ATOM 1741 CG2 ILE A 112 -21.468 -42.005 -3.465 1.00 52.53 C ATOM 1742 CD1 ILE A 112 -19.663 -43.087 -5.663 1.00 61.34 C ATOM 0 H ILE A 112 -17.550 -42.107 -2.231 1.00 51.33 H new ATOM 0 HA ILE A 112 -19.136 -40.759 -4.318 1.00 62.14 H new ATOM 0 HB ILE A 112 -19.935 -42.804 -2.206 1.00 32.24 H new ATOM 0 HG12 ILE A 112 -18.538 -43.777 -3.985 1.00 3.11 H new ATOM 0 HG13 ILE A 112 -20.181 -44.383 -4.048 1.00 3.11 H new ATOM 0 HG21 ILE A 112 -22.102 -42.889 -3.395 1.00 52.53 H new ATOM 0 HG22 ILE A 112 -21.779 -41.275 -2.718 1.00 52.53 H new ATOM 0 HG23 ILE A 112 -21.562 -41.569 -4.460 1.00 52.53 H new ATOM 0 HD11 ILE A 112 -19.334 -43.912 -6.295 1.00 61.34 H new ATOM 0 HD12 ILE A 112 -20.696 -42.835 -5.904 1.00 61.34 H new ATOM 0 HD13 ILE A 112 -19.027 -42.219 -5.840 1.00 61.34 H new ATOM 1754 N GLY A 113 -19.964 -38.973 -2.793 1.00 41.41 N ATOM 1755 CA GLY A 113 -20.459 -37.922 -1.927 1.00 14.45 C ATOM 1756 C GLY A 113 -19.395 -36.896 -1.597 1.00 3.03 C ATOM 1757 O GLY A 113 -18.199 -37.139 -1.783 1.00 60.32 O ATOM 0 H GLY A 113 -19.977 -38.747 -3.788 1.00 41.41 H new ATOM 0 HA2 GLY A 113 -21.302 -37.425 -2.408 1.00 14.45 H new ATOM 0 HA3 GLY A 113 -20.834 -38.363 -1.003 1.00 14.45 H new ATOM 1761 N ALA A 114 -19.830 -35.748 -1.097 1.00 12.52 N ATOM 1762 CA ALA A 114 -18.923 -34.653 -0.784 1.00 24.52 C ATOM 1763 C ALA A 114 -18.333 -34.813 0.618 1.00 0.33 C ATOM 1764 O ALA A 114 -18.815 -34.203 1.579 1.00 33.13 O ATOM 1765 CB ALA A 114 -19.643 -33.316 -0.922 1.00 15.11 C ATOM 0 H ALA A 114 -20.811 -35.550 -0.899 1.00 12.52 H new ATOM 0 HA ALA A 114 -18.097 -34.676 -1.495 1.00 24.52 H new ATOM 0 HB1 ALA A 114 -18.954 -32.505 -0.685 1.00 15.11 H new ATOM 0 HB2 ALA A 114 -20.002 -33.200 -1.945 1.00 15.11 H new ATOM 0 HB3 ALA A 114 -20.489 -33.286 -0.235 1.00 15.11 H new ATOM 1771 N ASP A 115 -17.316 -35.666 0.735 1.00 64.24 N ATOM 1772 CA ASP A 115 -16.596 -35.851 1.997 1.00 1.22 C ATOM 1773 C ASP A 115 -15.104 -35.606 1.771 1.00 22.24 C ATOM 1774 O ASP A 115 -14.355 -36.517 1.395 1.00 33.32 O ATOM 1775 CB ASP A 115 -16.826 -37.266 2.561 1.00 64.14 C ATOM 1776 CG ASP A 115 -16.385 -37.407 4.016 1.00 52.23 C ATOM 1777 OD1 ASP A 115 -15.176 -37.304 4.299 1.00 51.14 O ATOM 1778 OD2 ASP A 115 -17.253 -37.638 4.886 1.00 30.13 O1- ATOM 0 H ASP A 115 -16.970 -36.243 -0.032 1.00 64.24 H new ATOM 0 HA ASP A 115 -16.976 -35.135 2.726 1.00 1.22 H new ATOM 0 HB2 ASP A 115 -17.884 -37.515 2.482 1.00 64.14 H new ATOM 0 HB3 ASP A 115 -16.282 -37.987 1.951 1.00 64.14 H new ATOM 1783 N ILE A 116 -14.681 -34.360 1.980 1.00 10.14 N ATOM 1784 CA ILE A 116 -13.311 -33.950 1.686 1.00 23.23 C ATOM 1785 C ILE A 116 -12.304 -34.737 2.530 1.00 50.32 C ATOM 1786 O ILE A 116 -11.187 -35.016 2.084 1.00 24.53 O ATOM 1787 CB ILE A 116 -13.113 -32.425 1.908 1.00 35.22 C ATOM 1788 CG1 ILE A 116 -11.743 -31.974 1.373 1.00 23.43 C ATOM 1789 CG2 ILE A 116 -13.265 -32.061 3.386 1.00 34.43 C ATOM 1790 CD1 ILE A 116 -11.573 -32.174 -0.121 1.00 62.15 C ATOM 0 H ILE A 116 -15.270 -33.616 2.353 1.00 10.14 H new ATOM 0 HA ILE A 116 -13.131 -34.170 0.634 1.00 23.23 H new ATOM 0 HB ILE A 116 -13.889 -31.899 1.352 1.00 35.22 H new ATOM 0 HG12 ILE A 116 -11.601 -30.919 1.607 1.00 23.43 H new ATOM 0 HG13 ILE A 116 -10.960 -32.524 1.895 1.00 23.43 H new ATOM 0 HG21 ILE A 116 -13.122 -30.988 3.513 1.00 34.43 H new ATOM 0 HG22 ILE A 116 -14.263 -32.337 3.728 1.00 34.43 H new ATOM 0 HG23 ILE A 116 -12.519 -32.599 3.972 1.00 34.43 H new ATOM 0 HD11 ILE A 116 -10.583 -31.833 -0.423 1.00 62.15 H new ATOM 0 HD12 ILE A 116 -11.682 -33.232 -0.361 1.00 62.15 H new ATOM 0 HD13 ILE A 116 -12.332 -31.601 -0.653 1.00 62.15 H new ATOM 1802 N SER A 117 -12.714 -35.105 3.739 1.00 64.32 N ATOM 1803 CA SER A 117 -11.862 -35.870 4.639 1.00 24.52 C ATOM 1804 C SER A 117 -11.539 -37.230 4.022 1.00 72.20 C ATOM 1805 O SER A 117 -10.386 -37.673 4.030 1.00 63.13 O ATOM 1806 CB SER A 117 -12.552 -36.042 5.999 1.00 2.24 C ATOM 1807 OG SER A 117 -11.716 -36.716 6.929 1.00 54.32 O ATOM 0 H SER A 117 -13.635 -34.884 4.118 1.00 64.32 H new ATOM 0 HA SER A 117 -10.928 -35.329 4.793 1.00 24.52 H new ATOM 0 HB2 SER A 117 -12.824 -35.064 6.396 1.00 2.24 H new ATOM 0 HB3 SER A 117 -13.478 -36.602 5.869 1.00 2.24 H new ATOM 0 HG SER A 117 -12.185 -36.807 7.784 1.00 54.32 H new ATOM 1813 N LYS A 118 -12.557 -37.873 3.458 1.00 24.02 N ATOM 1814 CA LYS A 118 -12.385 -39.178 2.838 1.00 23.25 C ATOM 1815 C LYS A 118 -11.583 -39.040 1.550 1.00 51.14 C ATOM 1816 O LYS A 118 -10.760 -39.897 1.229 1.00 44.54 O ATOM 1817 CB LYS A 118 -13.746 -39.831 2.553 1.00 55.14 C ATOM 1818 CG LYS A 118 -13.648 -41.267 2.038 1.00 21.34 C ATOM 1819 CD LYS A 118 -12.891 -42.164 3.018 1.00 32.24 C ATOM 1820 CE LYS A 118 -12.816 -43.609 2.535 1.00 45.55 C ATOM 1821 NZ LYS A 118 -14.165 -44.208 2.354 1.00 20.35 N1+ ATOM 0 H LYS A 118 -13.509 -37.509 3.419 1.00 24.02 H new ATOM 0 HA LYS A 118 -11.839 -39.821 3.529 1.00 23.25 H new ATOM 0 HB2 LYS A 118 -14.340 -39.823 3.467 1.00 55.14 H new ATOM 0 HB3 LYS A 118 -14.281 -39.228 1.819 1.00 55.14 H new ATOM 0 HG2 LYS A 118 -14.650 -41.666 1.877 1.00 21.34 H new ATOM 0 HG3 LYS A 118 -13.143 -41.274 1.072 1.00 21.34 H new ATOM 0 HD2 LYS A 118 -11.882 -41.776 3.158 1.00 32.24 H new ATOM 0 HD3 LYS A 118 -13.382 -42.133 3.991 1.00 32.24 H new ATOM 0 HE2 LYS A 118 -12.273 -43.648 1.591 1.00 45.55 H new ATOM 0 HE3 LYS A 118 -12.250 -44.202 3.253 1.00 45.55 H new ATOM 0 HZ1 LYS A 118 -14.073 -45.234 2.208 1.00 20.35 H new ATOM 0 HZ2 LYS A 118 -14.741 -44.029 3.201 1.00 20.35 H new ATOM 0 HZ3 LYS A 118 -14.626 -43.781 1.526 1.00 20.35 H new ATOM 1835 N ILE A 119 -11.827 -37.954 0.817 1.00 22.14 N ATOM 1836 CA ILE A 119 -11.080 -37.675 -0.407 1.00 2.21 C ATOM 1837 C ILE A 119 -9.576 -37.620 -0.122 1.00 62.22 C ATOM 1838 O ILE A 119 -8.797 -38.369 -0.715 1.00 24.10 O ATOM 1839 CB ILE A 119 -11.532 -36.347 -1.071 1.00 43.35 C ATOM 1840 CG1 ILE A 119 -13.019 -36.422 -1.464 1.00 44.33 C ATOM 1841 CG2 ILE A 119 -10.666 -36.028 -2.294 1.00 11.44 C ATOM 1842 CD1 ILE A 119 -13.562 -35.148 -2.078 1.00 40.14 C ATOM 0 H ILE A 119 -12.534 -37.256 1.049 1.00 22.14 H new ATOM 0 HA ILE A 119 -11.289 -38.490 -1.100 1.00 2.21 H new ATOM 0 HB ILE A 119 -11.406 -35.542 -0.347 1.00 43.35 H new ATOM 0 HG12 ILE A 119 -13.156 -37.240 -2.171 1.00 44.33 H new ATOM 0 HG13 ILE A 119 -13.606 -36.664 -0.578 1.00 44.33 H new ATOM 0 HG21 ILE A 119 -11.001 -35.093 -2.743 1.00 11.44 H new ATOM 0 HG22 ILE A 119 -9.625 -35.930 -1.987 1.00 11.44 H new ATOM 0 HG23 ILE A 119 -10.755 -36.833 -3.023 1.00 11.44 H new ATOM 0 HD11 ILE A 119 -14.615 -35.284 -2.326 1.00 40.14 H new ATOM 0 HD12 ILE A 119 -13.460 -34.329 -1.366 1.00 40.14 H new ATOM 0 HD13 ILE A 119 -13.003 -34.914 -2.984 1.00 40.14 H new ATOM 1854 N ILE A 120 -9.175 -36.752 0.808 1.00 71.14 N ATOM 1855 CA ILE A 120 -7.759 -36.579 1.135 1.00 1.52 C ATOM 1856 C ILE A 120 -7.199 -37.862 1.761 1.00 44.53 C ATOM 1857 O ILE A 120 -6.062 -38.262 1.467 1.00 2.32 O ATOM 1858 CB ILE A 120 -7.542 -35.344 2.068 1.00 41.41 C ATOM 1859 CG1 ILE A 120 -6.051 -34.929 2.139 1.00 72.14 C ATOM 1860 CG2 ILE A 120 -8.102 -35.600 3.467 1.00 5.22 C ATOM 1861 CD1 ILE A 120 -5.184 -35.766 3.065 1.00 43.13 C ATOM 0 H ILE A 120 -9.808 -36.160 1.346 1.00 71.14 H new ATOM 0 HA ILE A 120 -7.212 -36.385 0.212 1.00 1.52 H new ATOM 0 HB ILE A 120 -8.093 -34.512 1.629 1.00 41.41 H new ATOM 0 HG12 ILE A 120 -5.630 -34.976 1.135 1.00 72.14 H new ATOM 0 HG13 ILE A 120 -5.996 -33.889 2.460 1.00 72.14 H new ATOM 0 HG21 ILE A 120 -7.935 -34.722 4.092 1.00 5.22 H new ATOM 0 HG22 ILE A 120 -9.171 -35.800 3.400 1.00 5.22 H new ATOM 0 HG23 ILE A 120 -7.599 -36.460 3.908 1.00 5.22 H new ATOM 0 HD11 ILE A 120 -4.160 -35.393 3.041 1.00 43.13 H new ATOM 0 HD12 ILE A 120 -5.570 -35.701 4.082 1.00 43.13 H new ATOM 0 HD13 ILE A 120 -5.199 -36.805 2.737 1.00 43.13 H new ATOM 1873 N SER A 121 -8.013 -38.522 2.588 1.00 33.33 N ATOM 1874 CA SER A 121 -7.617 -39.772 3.225 1.00 32.12 C ATOM 1875 C SER A 121 -7.228 -40.798 2.162 1.00 12.31 C ATOM 1876 O SER A 121 -6.135 -41.369 2.206 1.00 23.30 O ATOM 1877 CB SER A 121 -8.747 -40.314 4.112 1.00 43.12 C ATOM 1878 OG SER A 121 -8.321 -41.441 4.859 1.00 42.33 O ATOM 0 H SER A 121 -8.952 -38.207 2.830 1.00 33.33 H new ATOM 0 HA SER A 121 -6.753 -39.580 3.862 1.00 32.12 H new ATOM 0 HB2 SER A 121 -9.086 -39.532 4.791 1.00 43.12 H new ATOM 0 HB3 SER A 121 -9.600 -40.588 3.491 1.00 43.12 H new ATOM 0 HG SER A 121 -9.061 -41.763 5.415 1.00 42.33 H new ATOM 1884 N GLU A 122 -8.115 -41.000 1.190 1.00 14.44 N ATOM 1885 CA GLU A 122 -7.852 -41.918 0.088 1.00 72.13 C ATOM 1886 C GLU A 122 -6.634 -41.465 -0.715 1.00 73.04 C ATOM 1887 O GLU A 122 -5.794 -42.287 -1.086 1.00 20.21 O ATOM 1888 CB GLU A 122 -9.080 -42.037 -0.827 1.00 32.23 C ATOM 1889 CG GLU A 122 -10.226 -42.856 -0.239 1.00 71.24 C ATOM 1890 CD GLU A 122 -9.859 -44.317 -0.010 1.00 22.22 C ATOM 1891 OE1 GLU A 122 -10.278 -44.888 1.017 1.00 61.24 O ATOM 1892 OE2 GLU A 122 -9.158 -44.907 -0.864 1.00 70.43 O1- ATOM 0 H GLU A 122 -9.023 -40.538 1.145 1.00 14.44 H new ATOM 0 HA GLU A 122 -7.641 -42.900 0.511 1.00 72.13 H new ATOM 0 HB2 GLU A 122 -9.445 -41.036 -1.057 1.00 32.23 H new ATOM 0 HB3 GLU A 122 -8.773 -42.489 -1.770 1.00 32.23 H new ATOM 0 HG2 GLU A 122 -10.534 -42.412 0.708 1.00 71.24 H new ATOM 0 HG3 GLU A 122 -11.084 -42.804 -0.910 1.00 71.24 H new ATOM 1899 N ILE A 123 -6.522 -40.156 -0.967 1.00 11.43 N ATOM 1900 CA ILE A 123 -5.395 -39.622 -1.732 1.00 32.41 C ATOM 1901 C ILE A 123 -4.070 -40.087 -1.125 1.00 5.24 C ATOM 1902 O ILE A 123 -3.270 -40.746 -1.793 1.00 71.51 O ATOM 1903 CB ILE A 123 -5.406 -38.067 -1.796 1.00 73.41 C ATOM 1904 CG1 ILE A 123 -6.577 -37.553 -2.656 1.00 51.34 C ATOM 1905 CG2 ILE A 123 -4.079 -37.538 -2.344 1.00 71.34 C ATOM 1906 CD1 ILE A 123 -6.817 -36.062 -2.530 1.00 15.35 C ATOM 0 H ILE A 123 -7.193 -39.454 -0.655 1.00 11.43 H new ATOM 0 HA ILE A 123 -5.498 -40.004 -2.748 1.00 32.41 H new ATOM 0 HB ILE A 123 -5.539 -37.696 -0.780 1.00 73.41 H new ATOM 0 HG12 ILE A 123 -6.382 -37.794 -3.701 1.00 51.34 H new ATOM 0 HG13 ILE A 123 -7.486 -38.084 -2.371 1.00 51.34 H new ATOM 0 HG21 ILE A 123 -4.109 -36.449 -2.380 1.00 71.34 H new ATOM 0 HG22 ILE A 123 -3.264 -37.858 -1.695 1.00 71.34 H new ATOM 0 HG23 ILE A 123 -3.918 -37.930 -3.348 1.00 71.34 H new ATOM 0 HD11 ILE A 123 -7.656 -35.774 -3.164 1.00 15.35 H new ATOM 0 HD12 ILE A 123 -7.044 -35.816 -1.493 1.00 15.35 H new ATOM 0 HD13 ILE A 123 -5.923 -35.522 -2.843 1.00 15.35 H new ATOM 1918 N ASN A 124 -3.865 -39.803 0.160 1.00 61.24 N ATOM 1919 CA ASN A 124 -2.587 -40.123 0.803 1.00 42.31 C ATOM 1920 C ASN A 124 -2.442 -41.632 0.997 1.00 20.40 C ATOM 1921 O ASN A 124 -1.345 -42.182 0.866 1.00 70.22 O ATOM 1922 CB ASN A 124 -2.426 -39.391 2.147 1.00 5.10 C ATOM 1923 CG ASN A 124 -3.341 -39.917 3.242 1.00 40.22 C ATOM 1924 OD1 ASN A 124 -3.001 -40.865 3.950 1.00 31.24 O ATOM 1925 ND2 ASN A 124 -4.494 -39.295 3.407 1.00 15.41 N ATOM 0 H ASN A 124 -4.552 -39.360 0.769 1.00 61.24 H new ATOM 0 HA ASN A 124 -1.794 -39.777 0.140 1.00 42.31 H new ATOM 0 HB2 ASN A 124 -1.391 -39.479 2.477 1.00 5.10 H new ATOM 0 HB3 ASN A 124 -2.624 -38.329 1.999 1.00 5.10 H new ATOM 0 HD21 ASN A 124 -5.136 -39.597 4.140 1.00 15.41 H new ATOM 0 HD22 ASN A 124 -4.743 -38.513 2.801 1.00 15.41 H new ATOM 1932 N ASN A 125 -3.558 -42.295 1.284 1.00 31.14 N ATOM 1933 CA ASN A 125 -3.576 -43.742 1.507 1.00 72.20 C ATOM 1934 C ASN A 125 -3.175 -44.500 0.245 1.00 71.23 C ATOM 1935 O ASN A 125 -2.520 -45.542 0.315 1.00 34.51 O ATOM 1936 CB ASN A 125 -4.975 -44.190 1.964 1.00 65.54 C ATOM 1937 CG ASN A 125 -5.125 -45.702 2.018 1.00 44.14 C ATOM 1938 OD1 ASN A 125 -4.776 -46.341 3.012 1.00 32.44 O ATOM 1939 ND2 ASN A 125 -5.659 -46.286 0.955 1.00 44.23 N ATOM 0 H ASN A 125 -4.472 -41.850 1.369 1.00 31.14 H new ATOM 0 HA ASN A 125 -2.850 -43.971 2.288 1.00 72.20 H new ATOM 0 HB2 ASN A 125 -5.180 -43.774 2.951 1.00 65.54 H new ATOM 0 HB3 ASN A 125 -5.722 -43.780 1.284 1.00 65.54 H new ATOM 0 HD21 ASN A 125 -5.793 -47.297 0.942 1.00 44.23 H new ATOM 0 HD22 ASN A 125 -5.936 -45.724 0.150 1.00 44.23 H new ATOM 1946 N ASN A 126 -3.569 -43.964 -0.905 1.00 24.21 N ATOM 1947 CA ASN A 126 -3.369 -44.642 -2.183 1.00 34.20 C ATOM 1948 C ASN A 126 -2.039 -44.248 -2.831 1.00 61.32 C ATOM 1949 O ASN A 126 -1.431 -45.057 -3.538 1.00 63.21 O ATOM 1950 CB ASN A 126 -4.549 -44.348 -3.121 1.00 71.20 C ATOM 1951 CG ASN A 126 -5.872 -44.867 -2.563 1.00 53.32 C ATOM 1952 OD1 ASN A 126 -5.909 -45.885 -1.869 1.00 60.30 O ATOM 1953 ND2 ASN A 126 -6.965 -44.178 -2.857 1.00 41.12 N ATOM 0 H ASN A 126 -4.031 -43.058 -0.979 1.00 24.21 H new ATOM 0 HA ASN A 126 -3.326 -45.715 -1.996 1.00 34.20 H new ATOM 0 HB2 ASN A 126 -4.622 -43.273 -3.284 1.00 71.20 H new ATOM 0 HB3 ASN A 126 -4.362 -44.806 -4.092 1.00 71.20 H new ATOM 0 HD21 ASN A 126 -7.872 -44.486 -2.506 1.00 41.12 H new ATOM 0 HD22 ASN A 126 -6.899 -43.340 -3.434 1.00 41.12 H new ATOM 1960 N ILE A 127 -1.586 -43.012 -2.592 1.00 24.11 N ATOM 1961 CA ILE A 127 -0.281 -42.569 -3.096 1.00 45.52 C ATOM 1962 C ILE A 127 0.835 -43.470 -2.565 1.00 24.03 C ATOM 1963 O ILE A 127 1.631 -44.014 -3.332 1.00 24.55 O ATOM 1964 CB ILE A 127 0.041 -41.099 -2.702 1.00 23.43 C ATOM 1965 CG1 ILE A 127 -0.879 -40.113 -3.437 1.00 53.10 C ATOM 1966 CG2 ILE A 127 1.510 -40.765 -2.985 1.00 51.22 C ATOM 1967 CD1 ILE A 127 -0.670 -38.668 -3.026 1.00 54.51 C ATOM 0 H ILE A 127 -2.097 -42.308 -2.059 1.00 24.11 H new ATOM 0 HA ILE A 127 -0.336 -42.631 -4.183 1.00 45.52 H new ATOM 0 HB ILE A 127 -0.137 -41.000 -1.631 1.00 23.43 H new ATOM 0 HG12 ILE A 127 -0.713 -40.205 -4.510 1.00 53.10 H new ATOM 0 HG13 ILE A 127 -1.917 -40.389 -3.250 1.00 53.10 H new ATOM 0 HG21 ILE A 127 1.709 -39.732 -2.701 1.00 51.22 H new ATOM 0 HG22 ILE A 127 2.152 -41.430 -2.408 1.00 51.22 H new ATOM 0 HG23 ILE A 127 1.714 -40.895 -4.048 1.00 51.22 H new ATOM 0 HD11 ILE A 127 -1.353 -38.028 -3.585 1.00 54.51 H new ATOM 0 HD12 ILE A 127 -0.865 -38.561 -1.959 1.00 54.51 H new ATOM 0 HD13 ILE A 127 0.358 -38.374 -3.238 1.00 54.51 H new ATOM 1979 N ASN A 128 0.873 -43.627 -1.246 1.00 64.33 N ATOM 1980 CA ASN A 128 1.936 -44.379 -0.589 1.00 71.43 C ATOM 1981 C ASN A 128 1.645 -45.879 -0.654 1.00 23.15 C ATOM 1982 O ASN A 128 0.941 -46.400 0.238 1.00 65.33 O ATOM 1983 CB ASN A 128 2.099 -43.918 0.872 1.00 24.12 C ATOM 1984 CG ASN A 128 2.414 -42.432 0.990 1.00 23.51 C ATOM 1985 OD1 ASN A 128 3.575 -42.022 0.938 1.00 5.34 O ATOM 1986 ND2 ASN A 128 1.383 -41.612 1.156 1.00 22.35 N ATOM 1987 OXT ASN A 128 2.116 -46.535 -1.604 1.00 0.00 O1- ATOM 0 H ASN A 128 0.176 -43.241 -0.608 1.00 64.33 H new ATOM 0 HA ASN A 128 2.872 -44.188 -1.113 1.00 71.43 H new ATOM 0 HB2 ASN A 128 1.183 -44.135 1.421 1.00 24.12 H new ATOM 0 HB3 ASN A 128 2.897 -44.492 1.343 1.00 24.12 H new ATOM 0 HD21 ASN A 128 1.539 -40.608 1.245 1.00 22.35 H new ATOM 0 HD22 ASN A 128 0.435 -41.986 1.194 1.00 22.35 H new