USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 769 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 120 MET CE :methyl -127:sc= -1.63 (180deg=-0.324) USER MOD Set 1.2: A 125 GLN : amide:sc= -4.82 K(o=-6.4,f=-12!) USER MOD Set 2.1: A 121 THR OG1 : rot -140:sc= 0.00553 USER MOD Set 2.2: A 123 GLN : amide:sc= -0.351 K(o=-0.34,f=-2.5!) USER MOD Set 3.1: A 70 THR OG1 : rot -75:sc= 1.07 USER MOD Set 3.2: A 109 THR OG1 : rot -118:sc= -0.0993! USER MOD Set 4.1: A 86 HIS : no HD1:sc= -1.58 K(o=-2.4,f=0.046) USER MOD Set 4.2: A 108 SER OG : rot 21:sc= -0.803 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 18:sc= 0.904 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 117:sc= -3.41! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : A 36 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.35) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -1.85 X(o=-1.9,f=-2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -90:sc= -2.42! USER MOD Single : A 62 MET CE :methyl 172:sc= -4.87! (180deg=-5.22!) USER MOD Single : A 65 THR OG1 : rot 122:sc= -0.333 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 1.42 (180deg=0.414) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 116:sc= 1.26 USER MOD Single : A 88 ASN : amide:sc= -3! C(o=-3!,f=-10!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 168:sc= -5.33! (180deg=-5.49!) USER MOD Single : A 111 SER OG : rot -155:sc= 0.382 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= -1.07 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -5.804 -13.536 -8.099 1.00 0.00 N ATOM 319 CA ASP A 21 -5.144 -14.591 -7.331 1.00 0.00 C ATOM 320 C ASP A 21 -4.074 -14.017 -6.407 1.00 0.00 C ATOM 321 O ASP A 21 -2.908 -13.903 -6.785 1.00 0.00 O ATOM 322 CB ASP A 21 -4.520 -15.624 -8.274 1.00 0.00 C ATOM 323 CG ASP A 21 -3.775 -14.982 -9.428 1.00 0.00 C ATOM 324 OD1 ASP A 21 -3.247 -13.864 -9.246 1.00 0.00 O ATOM 325 OD2 ASP A 21 -3.723 -15.596 -10.514 1.00 0.00 O ATOM 0 HA ASP A 21 -5.900 -15.078 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.835 -16.258 -7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.303 -16.272 -8.667 1.00 0.00 H new ATOM 330 N ARG A 22 -4.482 -13.663 -5.194 1.00 0.00 N ATOM 331 CA ARG A 22 -3.570 -13.093 -4.200 1.00 0.00 C ATOM 332 C ARG A 22 -2.253 -13.869 -4.110 1.00 0.00 C ATOM 333 O ARG A 22 -1.235 -13.322 -3.689 1.00 0.00 O ATOM 334 CB ARG A 22 -4.237 -13.062 -2.818 1.00 0.00 C ATOM 335 CG ARG A 22 -5.706 -12.669 -2.846 1.00 0.00 C ATOM 336 CD ARG A 22 -6.119 -11.959 -1.566 1.00 0.00 C ATOM 337 NE ARG A 22 -6.098 -12.854 -0.411 1.00 0.00 N ATOM 338 CZ ARG A 22 -7.088 -13.687 -0.098 1.00 0.00 C ATOM 339 NH1 ARG A 22 -8.177 -13.751 -0.855 1.00 0.00 N ATOM 340 NH2 ARG A 22 -6.987 -14.462 0.973 1.00 0.00 N ATOM 0 H ARG A 22 -5.444 -13.760 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.341 -12.078 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.144 -14.046 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.697 -12.361 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.893 -12.019 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.319 -13.560 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.449 -11.119 -1.385 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.121 -11.547 -1.687 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.275 -12.840 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.259 -13.160 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.932 -14.392 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.151 -14.420 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.745 -15.101 1.214 1.00 0.00 H new ATOM 354 N GLU A 23 -2.278 -15.146 -4.483 1.00 0.00 N ATOM 355 CA GLU A 23 -1.080 -15.981 -4.413 1.00 0.00 C ATOM 356 C GLU A 23 -0.386 -16.127 -5.768 1.00 0.00 C ATOM 357 O GLU A 23 0.765 -16.561 -5.831 1.00 0.00 O ATOM 358 CB GLU A 23 -1.439 -17.364 -3.863 1.00 0.00 C ATOM 359 CG GLU A 23 -0.594 -17.783 -2.672 1.00 0.00 C ATOM 360 CD GLU A 23 -1.289 -17.532 -1.347 1.00 0.00 C ATOM 361 OE1 GLU A 23 -2.322 -18.182 -1.086 1.00 0.00 O ATOM 362 OE2 GLU A 23 -0.800 -16.683 -0.572 1.00 0.00 O ATOM 0 H GLU A 23 -3.108 -15.623 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.380 -15.482 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.489 -17.369 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.325 -18.102 -4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.353 -18.843 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.350 -17.239 -2.692 1.00 0.00 H new ATOM 369 N LYS A 24 -1.077 -15.779 -6.849 1.00 0.00 N ATOM 370 CA LYS A 24 -0.496 -15.900 -8.187 1.00 0.00 C ATOM 371 C LYS A 24 -0.590 -14.590 -8.965 1.00 0.00 C ATOM 372 O LYS A 24 -0.678 -14.597 -10.193 1.00 0.00 O ATOM 373 CB LYS A 24 -1.185 -17.021 -8.968 1.00 0.00 C ATOM 374 CG LYS A 24 -0.225 -17.862 -9.793 1.00 0.00 C ATOM 375 CD LYS A 24 -0.151 -17.374 -11.233 1.00 0.00 C ATOM 376 CE LYS A 24 1.153 -16.642 -11.508 1.00 0.00 C ATOM 377 NZ LYS A 24 1.393 -16.460 -12.967 1.00 0.00 N ATOM 0 H LYS A 24 -2.029 -15.415 -6.829 1.00 0.00 H new ATOM 0 HA LYS A 24 0.560 -16.142 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.714 -17.668 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.934 -16.585 -9.629 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.768 -17.828 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.546 -18.904 -9.777 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.243 -18.223 -11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.992 -16.711 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.132 -15.668 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.981 -17.200 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.292 -15.957 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.439 -17.390 -13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.616 -15.906 -13.380 1.00 0.00 H new ATOM 391 N THR A 25 -0.569 -13.470 -8.252 1.00 0.00 N ATOM 392 CA THR A 25 -0.652 -12.162 -8.894 1.00 0.00 C ATOM 393 C THR A 25 0.736 -11.574 -9.131 1.00 0.00 C ATOM 394 O THR A 25 1.718 -12.009 -8.530 1.00 0.00 O ATOM 395 CB THR A 25 -1.477 -11.203 -8.038 1.00 0.00 C ATOM 396 OG1 THR A 25 -2.731 -11.772 -7.716 1.00 0.00 O ATOM 397 CG2 THR A 25 -1.735 -9.876 -8.712 1.00 0.00 C ATOM 0 H THR A 25 -0.496 -13.440 -7.235 1.00 0.00 H new ATOM 0 HA THR A 25 -1.139 -12.296 -9.860 1.00 0.00 H new ATOM 0 HB THR A 25 -0.882 -11.028 -7.142 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.699 -12.740 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.326 -9.241 -8.052 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.785 -9.388 -8.930 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.281 -10.040 -9.641 1.00 0.00 H new ATOM 405 N SER A 26 0.805 -10.577 -10.011 1.00 0.00 N ATOM 406 CA SER A 26 2.068 -9.921 -10.328 1.00 0.00 C ATOM 407 C SER A 26 2.271 -8.686 -9.452 1.00 0.00 C ATOM 408 O SER A 26 1.311 -8.010 -9.085 1.00 0.00 O ATOM 409 CB SER A 26 2.103 -9.526 -11.807 1.00 0.00 C ATOM 410 OG SER A 26 3.068 -10.285 -12.516 1.00 0.00 O ATOM 0 H SER A 26 -0.000 -10.207 -10.516 1.00 0.00 H new ATOM 0 HA SER A 26 2.877 -10.623 -10.129 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.119 -9.678 -12.250 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.333 -8.464 -11.898 1.00 0.00 H new ATOM 0 HG SER A 26 3.069 -10.015 -13.458 1.00 0.00 H new ATOM 416 N PRO A 27 3.531 -8.378 -9.099 1.00 0.00 N ATOM 417 CA PRO A 27 3.857 -7.224 -8.258 1.00 0.00 C ATOM 418 C PRO A 27 3.881 -5.914 -9.041 1.00 0.00 C ATOM 419 O PRO A 27 4.272 -5.883 -10.208 1.00 0.00 O ATOM 420 CB PRO A 27 5.253 -7.564 -7.744 1.00 0.00 C ATOM 421 CG PRO A 27 5.866 -8.368 -8.839 1.00 0.00 C ATOM 422 CD PRO A 27 4.741 -9.133 -9.486 1.00 0.00 C ATOM 0 HA PRO A 27 3.117 -7.065 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.832 -6.663 -7.541 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.207 -8.130 -6.814 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.364 -7.723 -9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.622 -9.048 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.857 -9.175 -10.569 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.701 -10.162 -9.130 1.00 0.00 H new ATOM 430 N LEU A 28 3.470 -4.834 -8.386 1.00 0.00 N ATOM 431 CA LEU A 28 3.452 -3.517 -9.012 1.00 0.00 C ATOM 432 C LEU A 28 4.196 -2.503 -8.148 1.00 0.00 C ATOM 433 O LEU A 28 4.413 -2.728 -6.959 1.00 0.00 O ATOM 434 CB LEU A 28 2.011 -3.053 -9.242 1.00 0.00 C ATOM 435 CG LEU A 28 1.229 -2.701 -7.972 1.00 0.00 C ATOM 436 CD1 LEU A 28 0.891 -1.216 -7.940 1.00 0.00 C ATOM 437 CD2 LEU A 28 -0.037 -3.540 -7.874 1.00 0.00 C ATOM 0 H LEU A 28 3.144 -4.845 -7.420 1.00 0.00 H new ATOM 0 HA LEU A 28 3.955 -3.591 -9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.027 -2.179 -9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.474 -3.838 -9.774 1.00 0.00 H new ATOM 0 HG LEU A 28 1.858 -2.926 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.336 -0.989 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.812 -0.633 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.283 -0.962 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.579 -3.276 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.668 -3.349 -8.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.228 -4.597 -7.844 1.00 0.00 H new ATOM 449 N LEU A 29 4.586 -1.386 -8.754 1.00 0.00 N ATOM 450 CA LEU A 29 5.309 -0.344 -8.034 1.00 0.00 C ATOM 451 C LEU A 29 4.365 0.767 -7.585 1.00 0.00 C ATOM 452 O LEU A 29 3.733 1.431 -8.406 1.00 0.00 O ATOM 453 CB LEU A 29 6.421 0.237 -8.917 1.00 0.00 C ATOM 454 CG LEU A 29 6.961 1.606 -8.484 1.00 0.00 C ATOM 455 CD1 LEU A 29 7.158 1.657 -6.974 1.00 0.00 C ATOM 456 CD2 LEU A 29 8.265 1.916 -9.207 1.00 0.00 C ATOM 0 H LEU A 29 4.414 -1.180 -9.738 1.00 0.00 H new ATOM 0 HA LEU A 29 5.755 -0.793 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.250 -0.470 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.045 0.320 -9.937 1.00 0.00 H new ATOM 0 HG LEU A 29 6.227 2.365 -8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.542 2.637 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.204 1.483 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.870 0.888 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.635 2.891 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.004 1.152 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.091 1.928 -10.283 1.00 0.00 H new ATOM 468 N LEU A 30 4.280 0.971 -6.273 1.00 0.00 N ATOM 469 CA LEU A 30 3.420 2.011 -5.719 1.00 0.00 C ATOM 470 C LEU A 30 4.201 2.901 -4.752 1.00 0.00 C ATOM 471 O LEU A 30 5.171 2.459 -4.135 1.00 0.00 O ATOM 472 CB LEU A 30 2.199 1.380 -5.035 1.00 0.00 C ATOM 473 CG LEU A 30 2.265 1.277 -3.509 1.00 0.00 C ATOM 474 CD1 LEU A 30 1.770 2.563 -2.872 1.00 0.00 C ATOM 475 CD2 LEU A 30 1.450 0.088 -3.019 1.00 0.00 C ATOM 0 H LEU A 30 4.794 0.432 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 30 3.064 2.643 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.317 1.961 -5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.057 0.379 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 30 3.304 1.124 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.823 2.475 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.394 3.395 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.738 2.744 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.508 0.030 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.410 0.211 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.848 -0.829 -3.453 1.00 0.00 H new ATOM 487 N ARG A 31 3.785 4.162 -4.634 1.00 0.00 N ATOM 488 CA ARG A 31 4.462 5.111 -3.754 1.00 0.00 C ATOM 489 C ARG A 31 3.729 5.271 -2.425 1.00 0.00 C ATOM 490 O ARG A 31 2.514 5.477 -2.388 1.00 0.00 O ATOM 491 CB ARG A 31 4.598 6.471 -4.442 1.00 0.00 C ATOM 492 CG ARG A 31 3.308 6.974 -5.072 1.00 0.00 C ATOM 493 CD ARG A 31 3.498 8.340 -5.711 1.00 0.00 C ATOM 494 NE ARG A 31 4.657 8.371 -6.600 1.00 0.00 N ATOM 495 CZ ARG A 31 4.700 7.766 -7.784 1.00 0.00 C ATOM 496 NH1 ARG A 31 3.650 7.086 -8.228 1.00 0.00 N ATOM 497 NH2 ARG A 31 5.794 7.841 -8.529 1.00 0.00 N ATOM 0 H ARG A 31 2.985 4.548 -5.135 1.00 0.00 H new ATOM 0 HA ARG A 31 5.454 4.712 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.944 7.203 -3.713 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.365 6.402 -5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.968 6.263 -5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.529 7.031 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.603 8.605 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.619 9.092 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 31 5.482 8.887 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.805 7.025 -7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.689 6.624 -9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.604 8.363 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.826 7.377 -9.437 1.00 0.00 H new ATOM 511 N VAL A 32 4.486 5.178 -1.336 1.00 0.00 N ATOM 512 CA VAL A 32 3.931 5.312 0.006 1.00 0.00 C ATOM 513 C VAL A 32 4.740 6.304 0.829 1.00 0.00 C ATOM 514 O VAL A 32 5.968 6.305 0.778 1.00 0.00 O ATOM 515 CB VAL A 32 3.906 3.966 0.754 1.00 0.00 C ATOM 516 CG1 VAL A 32 2.629 3.204 0.447 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.134 3.137 0.406 1.00 0.00 C ATOM 0 H VAL A 32 5.492 5.009 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 32 2.909 5.670 -0.115 1.00 0.00 H new ATOM 0 HB VAL A 32 3.927 4.168 1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.632 2.256 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.768 3.796 0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.568 3.012 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.098 2.190 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.151 2.944 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.034 3.682 0.691 1.00 0.00 H new ATOM 527 N PHE A 33 4.050 7.138 1.593 1.00 0.00 N ATOM 528 CA PHE A 33 4.712 8.125 2.433 1.00 0.00 C ATOM 529 C PHE A 33 4.617 7.717 3.895 1.00 0.00 C ATOM 530 O PHE A 33 3.574 7.878 4.530 1.00 0.00 O ATOM 531 CB PHE A 33 4.096 9.506 2.208 1.00 0.00 C ATOM 532 CG PHE A 33 3.893 9.823 0.753 1.00 0.00 C ATOM 533 CD1 PHE A 33 2.898 9.189 0.029 1.00 0.00 C ATOM 534 CD2 PHE A 33 4.708 10.738 0.107 1.00 0.00 C ATOM 535 CE1 PHE A 33 2.715 9.461 -1.313 1.00 0.00 C ATOM 536 CE2 PHE A 33 4.530 11.016 -1.235 1.00 0.00 C ATOM 537 CZ PHE A 33 3.532 10.377 -1.945 1.00 0.00 C ATOM 0 H PHE A 33 3.032 7.151 1.649 1.00 0.00 H new ATOM 0 HA PHE A 33 5.766 8.174 2.161 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.137 9.560 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.741 10.263 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.256 8.472 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.490 11.239 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.935 8.959 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.171 11.732 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.391 10.594 -2.994 1.00 0.00 H new ATOM 547 N THR A 34 5.705 7.159 4.415 1.00 0.00 N ATOM 548 CA THR A 34 5.737 6.696 5.793 1.00 0.00 C ATOM 549 C THR A 34 6.479 7.665 6.708 1.00 0.00 C ATOM 550 O THR A 34 7.660 7.948 6.512 1.00 0.00 O ATOM 551 CB THR A 34 6.386 5.314 5.871 1.00 0.00 C ATOM 552 OG1 THR A 34 7.675 5.332 5.285 1.00 0.00 O ATOM 553 CG2 THR A 34 5.582 4.236 5.178 1.00 0.00 C ATOM 0 H THR A 34 6.575 7.017 3.901 1.00 0.00 H new ATOM 0 HA THR A 34 4.705 6.638 6.138 1.00 0.00 H new ATOM 0 HB THR A 34 6.439 5.079 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.347 5.122 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.098 3.281 5.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.597 4.163 5.640 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.470 4.487 4.123 1.00 0.00 H new ATOM 561 N THR A 35 5.774 8.138 7.726 1.00 0.00 N ATOM 562 CA THR A 35 6.346 9.046 8.714 1.00 0.00 C ATOM 563 C THR A 35 6.710 8.247 9.961 1.00 0.00 C ATOM 564 O THR A 35 6.277 7.105 10.099 1.00 0.00 O ATOM 565 CB THR A 35 5.356 10.167 9.059 1.00 0.00 C ATOM 566 OG1 THR A 35 5.584 10.655 10.371 1.00 0.00 O ATOM 567 CG2 THR A 35 3.902 9.742 8.974 1.00 0.00 C ATOM 0 H THR A 35 4.795 7.906 7.891 1.00 0.00 H new ATOM 0 HA THR A 35 7.242 9.513 8.304 1.00 0.00 H new ATOM 0 HB THR A 35 5.533 10.940 8.311 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.944 11.370 10.570 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.261 10.585 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.678 9.412 7.960 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.721 8.923 9.670 1.00 0.00 H new ATOM 575 N ASN A 36 7.495 8.827 10.872 1.00 0.00 N ATOM 576 CA ASN A 36 7.880 8.116 12.086 1.00 0.00 C ATOM 577 C ASN A 36 7.157 8.681 13.304 1.00 0.00 C ATOM 578 O ASN A 36 7.616 8.521 14.436 1.00 0.00 O ATOM 579 CB ASN A 36 9.392 8.205 12.290 1.00 0.00 C ATOM 580 CG ASN A 36 9.958 6.968 12.959 1.00 0.00 C ATOM 581 OD1 ASN A 36 10.539 6.104 12.302 1.00 0.00 O ATOM 582 ND2 ASN A 36 9.793 6.877 14.273 1.00 0.00 N ATOM 0 H ASN A 36 7.870 9.772 10.792 1.00 0.00 H new ATOM 0 HA ASN A 36 7.593 7.071 11.972 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.878 8.348 11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.623 9.081 12.896 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.154 6.067 14.778 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.305 7.617 14.778 1.00 0.00 H new ATOM 589 N ASN A 37 6.016 9.320 13.070 1.00 0.00 N ATOM 590 CA ASN A 37 5.223 9.892 14.152 1.00 0.00 C ATOM 591 C ASN A 37 3.736 9.593 13.961 1.00 0.00 C ATOM 592 O ASN A 37 2.904 10.019 14.761 1.00 0.00 O ATOM 593 CB ASN A 37 5.449 11.405 14.229 1.00 0.00 C ATOM 594 CG ASN A 37 6.093 11.826 15.537 1.00 0.00 C ATOM 595 OD1 ASN A 37 7.222 11.440 15.838 1.00 0.00 O ATOM 596 ND2 ASN A 37 5.375 12.622 16.320 1.00 0.00 N ATOM 0 H ASN A 37 5.619 9.455 12.140 1.00 0.00 H new ATOM 0 HA ASN A 37 5.545 9.434 15.087 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.081 11.718 13.398 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.495 11.919 14.115 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.756 12.938 17.212 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.443 12.917 16.030 1.00 0.00 H new ATOM 603 N GLY A 38 3.409 8.861 12.899 1.00 0.00 N ATOM 604 CA GLY A 38 2.022 8.520 12.629 1.00 0.00 C ATOM 605 C GLY A 38 1.126 9.741 12.564 1.00 0.00 C ATOM 606 O GLY A 38 0.153 9.842 13.311 1.00 0.00 O ATOM 0 H GLY A 38 4.079 8.498 12.221 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.962 7.978 11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.659 7.848 13.406 1.00 0.00 H new ATOM 610 N ARG A 39 1.457 10.678 11.680 1.00 0.00 N ATOM 611 CA ARG A 39 0.669 11.900 11.543 1.00 0.00 C ATOM 612 C ARG A 39 0.270 12.164 10.092 1.00 0.00 C ATOM 613 O ARG A 39 0.972 12.864 9.363 1.00 0.00 O ATOM 614 CB ARG A 39 1.453 13.095 12.086 1.00 0.00 C ATOM 615 CG ARG A 39 1.555 13.119 13.603 1.00 0.00 C ATOM 616 CD ARG A 39 2.098 14.448 14.104 1.00 0.00 C ATOM 617 NE ARG A 39 1.044 15.294 14.659 1.00 0.00 N ATOM 618 CZ ARG A 39 1.158 16.611 14.820 1.00 0.00 C ATOM 619 NH1 ARG A 39 2.274 17.236 14.469 1.00 0.00 N ATOM 620 NH2 ARG A 39 0.150 17.305 15.334 1.00 0.00 N ATOM 0 H ARG A 39 2.259 10.616 11.052 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.245 11.764 12.121 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.458 13.082 11.663 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.977 14.015 11.748 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.572 12.939 14.038 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.204 12.310 13.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.856 14.266 14.866 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.589 14.972 13.284 1.00 0.00 H new ATOM 0 HE ARG A 39 0.170 14.850 14.940 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.051 16.708 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.355 18.245 14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.711 16.829 15.605 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.236 18.314 15.458 1.00 0.00 H new ATOM 864 N GLU A 55 8.676 9.090 0.352 1.00 0.00 N ATOM 865 CA GLU A 55 8.046 8.089 -0.499 1.00 0.00 C ATOM 866 C GLU A 55 8.911 6.839 -0.634 1.00 0.00 C ATOM 867 O GLU A 55 10.115 6.924 -0.875 1.00 0.00 O ATOM 868 CB GLU A 55 7.762 8.676 -1.883 1.00 0.00 C ATOM 869 CG GLU A 55 9.009 9.141 -2.616 1.00 0.00 C ATOM 870 CD GLU A 55 8.745 9.444 -4.078 1.00 0.00 C ATOM 871 OE1 GLU A 55 8.682 8.488 -4.881 1.00 0.00 O ATOM 872 OE2 GLU A 55 8.600 10.635 -4.422 1.00 0.00 O ATOM 0 HA GLU A 55 7.107 7.799 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.253 7.926 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.078 9.518 -1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.401 10.034 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.778 8.373 -2.541 1.00 0.00 H new ATOM 879 N LEU A 56 8.278 5.675 -0.497 1.00 0.00 N ATOM 880 CA LEU A 56 8.979 4.399 -0.623 1.00 0.00 C ATOM 881 C LEU A 56 8.284 3.514 -1.654 1.00 0.00 C ATOM 882 O LEU A 56 7.074 3.611 -1.854 1.00 0.00 O ATOM 883 CB LEU A 56 9.071 3.662 0.724 1.00 0.00 C ATOM 884 CG LEU A 56 8.116 4.144 1.823 1.00 0.00 C ATOM 885 CD1 LEU A 56 7.451 2.961 2.512 1.00 0.00 C ATOM 886 CD2 LEU A 56 8.861 4.998 2.836 1.00 0.00 C ATOM 0 H LEU A 56 7.281 5.590 -0.299 1.00 0.00 H new ATOM 0 HA LEU A 56 9.994 4.615 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.886 2.602 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.092 3.750 1.094 1.00 0.00 H new ATOM 0 HG LEU A 56 7.339 4.753 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.777 3.324 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.885 2.385 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.214 2.326 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.169 5.332 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.658 4.410 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.291 5.865 2.335 1.00 0.00 H new ATOM 898 N GLN A 57 9.060 2.660 -2.314 1.00 0.00 N ATOM 899 CA GLN A 57 8.518 1.769 -3.334 1.00 0.00 C ATOM 900 C GLN A 57 8.086 0.432 -2.735 1.00 0.00 C ATOM 901 O GLN A 57 8.817 -0.180 -1.958 1.00 0.00 O ATOM 902 CB GLN A 57 9.555 1.533 -4.435 1.00 0.00 C ATOM 903 CG GLN A 57 10.352 2.776 -4.802 1.00 0.00 C ATOM 904 CD GLN A 57 9.536 3.787 -5.582 1.00 0.00 C ATOM 905 OE1 GLN A 57 9.612 3.849 -6.809 1.00 0.00 O ATOM 906 NE2 GLN A 57 8.747 4.586 -4.873 1.00 0.00 N ATOM 0 H GLN A 57 10.064 2.566 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 57 7.638 2.250 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.244 0.753 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.048 1.161 -5.325 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.727 3.243 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.221 2.484 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.715 4.500 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.173 5.285 -5.344 1.00 0.00 H new ATOM 915 N ILE A 58 6.894 -0.019 -3.118 1.00 0.00 N ATOM 916 CA ILE A 58 6.356 -1.288 -2.636 1.00 0.00 C ATOM 917 C ILE A 58 5.991 -2.196 -3.798 1.00 0.00 C ATOM 918 O ILE A 58 5.219 -1.810 -4.677 1.00 0.00 O ATOM 919 CB ILE A 58 5.081 -1.102 -1.786 1.00 0.00 C ATOM 920 CG1 ILE A 58 5.116 0.214 -1.009 1.00 0.00 C ATOM 921 CG2 ILE A 58 4.905 -2.274 -0.835 1.00 0.00 C ATOM 922 CD1 ILE A 58 3.873 0.449 -0.178 1.00 0.00 C ATOM 0 H ILE A 58 6.280 0.478 -3.763 1.00 0.00 H new ATOM 0 HA ILE A 58 7.142 -1.729 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 58 4.229 -1.066 -2.464 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.988 0.220 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.238 1.039 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.002 -2.129 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.819 -3.197 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.768 -2.337 -0.172 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.961 1.399 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.999 0.475 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.762 -0.358 0.546 1.00 0.00 H new ATOM 934 N TYR A 59 6.515 -3.415 -3.782 1.00 0.00 N ATOM 935 CA TYR A 59 6.197 -4.379 -4.818 1.00 0.00 C ATOM 936 C TYR A 59 5.002 -5.199 -4.359 1.00 0.00 C ATOM 937 O TYR A 59 5.154 -6.309 -3.849 1.00 0.00 O ATOM 938 CB TYR A 59 7.394 -5.292 -5.096 1.00 0.00 C ATOM 939 CG TYR A 59 8.598 -4.561 -5.644 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.499 -3.774 -6.785 1.00 0.00 C ATOM 941 CD2 TYR A 59 9.836 -4.660 -5.021 1.00 0.00 C ATOM 942 CE1 TYR A 59 9.597 -3.106 -7.289 1.00 0.00 C ATOM 943 CE2 TYR A 59 10.941 -3.993 -5.518 1.00 0.00 C ATOM 944 CZ TYR A 59 10.816 -3.219 -6.652 1.00 0.00 C ATOM 945 OH TYR A 59 11.913 -2.554 -7.151 1.00 0.00 O ATOM 0 H TYR A 59 7.158 -3.755 -3.066 1.00 0.00 H new ATOM 0 HA TYR A 59 5.958 -3.856 -5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.676 -5.799 -4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.095 -6.064 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.547 -3.683 -7.286 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.937 -5.268 -4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.503 -2.498 -8.177 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.896 -4.078 -5.021 1.00 0.00 H new ATOM 0 HH TYR A 59 12.692 -2.738 -6.586 1.00 0.00 H new ATOM 955 N THR A 60 3.814 -4.625 -4.509 1.00 0.00 N ATOM 956 CA THR A 60 2.593 -5.285 -4.074 1.00 0.00 C ATOM 957 C THR A 60 1.662 -5.592 -5.238 1.00 0.00 C ATOM 958 O THR A 60 1.758 -4.987 -6.305 1.00 0.00 O ATOM 959 CB THR A 60 1.861 -4.417 -3.054 1.00 0.00 C ATOM 960 OG1 THR A 60 0.629 -5.008 -2.694 1.00 0.00 O ATOM 961 CG2 THR A 60 1.572 -3.020 -3.557 1.00 0.00 C ATOM 0 H THR A 60 3.672 -3.706 -4.928 1.00 0.00 H new ATOM 0 HA THR A 60 2.883 -6.231 -3.618 1.00 0.00 H new ATOM 0 HB THR A 60 2.531 -4.344 -2.197 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.075 -4.689 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.050 -2.456 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.509 -2.520 -3.801 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.948 -3.076 -4.449 1.00 0.00 H new ATOM 969 N TRP A 61 0.758 -6.540 -5.018 1.00 0.00 N ATOM 970 CA TRP A 61 -0.197 -6.929 -6.049 1.00 0.00 C ATOM 971 C TRP A 61 -1.614 -6.498 -5.702 1.00 0.00 C ATOM 972 O TRP A 61 -2.073 -6.651 -4.575 1.00 0.00 O ATOM 973 CB TRP A 61 -0.162 -8.436 -6.298 1.00 0.00 C ATOM 974 CG TRP A 61 -0.227 -9.267 -5.058 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.301 -9.979 -4.612 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.823 -9.483 -4.109 1.00 0.00 C ATOM 977 NE1 TRP A 61 -0.985 -10.626 -3.447 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.314 -10.338 -3.115 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.143 -9.038 -4.006 1.00 0.00 C ATOM 980 CZ2 TRP A 61 1.077 -10.755 -2.030 1.00 0.00 C ATOM 981 CZ3 TRP A 61 2.903 -9.453 -2.928 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.367 -10.305 -1.952 1.00 0.00 C ATOM 0 H TRP A 61 0.666 -7.051 -4.140 1.00 0.00 H new ATOM 0 HA TRP A 61 0.103 -6.413 -6.961 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.997 -8.705 -6.945 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.752 -8.682 -6.838 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.261 -10.026 -5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.614 -11.225 -2.913 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.562 -8.382 -4.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.666 -11.410 -1.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.925 -9.116 -2.836 1.00 0.00 H new ATOM 0 HH2 TRP A 61 2.985 -10.613 -1.121 1.00 0.00 H new ATOM 993 N MET A 62 -2.269 -5.929 -6.697 1.00 0.00 N ATOM 994 CA MET A 62 -3.646 -5.418 -6.576 1.00 0.00 C ATOM 995 C MET A 62 -4.482 -6.194 -5.544 1.00 0.00 C ATOM 996 O MET A 62 -5.335 -5.614 -4.873 1.00 0.00 O ATOM 997 CB MET A 62 -4.349 -5.465 -7.939 1.00 0.00 C ATOM 998 CG MET A 62 -3.718 -4.561 -8.986 1.00 0.00 C ATOM 999 SD MET A 62 -3.524 -2.855 -8.424 1.00 0.00 S ATOM 1000 CE MET A 62 -5.033 -2.621 -7.489 1.00 0.00 C ATOM 0 H MET A 62 -1.867 -5.801 -7.626 1.00 0.00 H new ATOM 0 HA MET A 62 -3.567 -4.389 -6.226 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.341 -6.491 -8.306 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.393 -5.181 -7.809 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.742 -4.960 -9.261 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.333 -4.573 -9.886 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.991 -1.667 -6.964 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.886 -2.625 -8.168 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.142 -3.429 -6.765 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.246 -7.501 -5.424 1.00 0.00 N ATOM 1011 CA ASP A 63 -4.992 -8.330 -4.475 1.00 0.00 C ATOM 1012 C ASP A 63 -4.175 -8.645 -3.218 1.00 0.00 C ATOM 1013 O ASP A 63 -4.347 -9.701 -2.610 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.433 -9.632 -5.144 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.943 -9.743 -5.248 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -7.549 -8.925 -5.971 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.517 -10.649 -4.607 1.00 0.00 O ATOM 0 H ASP A 63 -3.548 -8.007 -5.969 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.868 -7.759 -4.167 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.997 -9.691 -6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.047 -10.479 -4.576 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.285 -7.737 -2.835 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.448 -7.938 -1.656 1.00 0.00 C ATOM 1024 C ALA A 64 -3.177 -7.546 -0.376 1.00 0.00 C ATOM 1025 O ALA A 64 -3.950 -6.587 -0.360 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.155 -7.145 -1.779 1.00 0.00 C ATOM 0 H ALA A 64 -3.124 -6.855 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.214 -9.001 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.543 -7.307 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.608 -7.476 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.386 -6.084 -1.872 1.00 0.00 H new ATOM 1032 N THR A 65 -2.912 -8.283 0.700 1.00 0.00 N ATOM 1033 CA THR A 65 -3.533 -7.998 1.989 1.00 0.00 C ATOM 1034 C THR A 65 -2.740 -6.927 2.730 1.00 0.00 C ATOM 1035 O THR A 65 -1.533 -6.782 2.514 1.00 0.00 O ATOM 1036 CB THR A 65 -3.626 -9.271 2.837 1.00 0.00 C ATOM 1037 OG1 THR A 65 -2.798 -10.291 2.307 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.031 -9.823 2.932 1.00 0.00 C ATOM 0 H THR A 65 -2.274 -9.079 0.704 1.00 0.00 H new ATOM 0 HA THR A 65 -4.543 -7.629 1.811 1.00 0.00 H new ATOM 0 HB THR A 65 -3.299 -8.978 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.155 -10.577 2.989 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.027 -10.724 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.685 -9.078 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.395 -10.066 1.934 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.410 -6.181 3.610 1.00 0.00 N ATOM 1047 CA LEU A 66 -2.754 -5.128 4.373 1.00 0.00 C ATOM 1048 C LEU A 66 -1.506 -5.656 5.070 1.00 0.00 C ATOM 1049 O LEU A 66 -0.554 -4.911 5.308 1.00 0.00 O ATOM 1050 CB LEU A 66 -3.721 -4.536 5.400 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.220 -3.125 5.080 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -5.059 -2.578 6.226 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -3.048 -2.197 4.789 1.00 0.00 C ATOM 0 H LEU A 66 -4.405 -6.289 3.809 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.451 -4.344 3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.582 -5.198 5.490 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.229 -4.519 6.373 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.848 -3.179 4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.404 -1.574 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.919 -3.227 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.456 -2.541 7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.422 -1.198 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.395 -2.152 5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.487 -2.576 3.934 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.513 -6.946 5.390 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.381 -7.573 6.053 1.00 0.00 C ATOM 1067 C LYS A 67 0.842 -7.581 5.140 1.00 0.00 C ATOM 1068 O LYS A 67 1.939 -7.219 5.563 1.00 0.00 O ATOM 1069 CB LYS A 67 -0.732 -9.001 6.469 1.00 0.00 C ATOM 1070 CG LYS A 67 0.043 -9.493 7.681 1.00 0.00 C ATOM 1071 CD LYS A 67 1.288 -10.263 7.271 1.00 0.00 C ATOM 1072 CE LYS A 67 2.190 -10.543 8.464 1.00 0.00 C ATOM 1073 NZ LYS A 67 3.421 -9.707 8.437 1.00 0.00 N ATOM 0 H LYS A 67 -2.292 -7.576 5.200 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.145 -6.993 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.799 -9.055 6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.542 -9.671 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.327 -8.643 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.598 -10.132 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.997 -11.204 6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.839 -9.693 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.642 -10.352 9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.467 -11.597 8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.009 -9.928 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.958 -9.907 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.158 -8.701 8.457 1.00 0.00 H new ATOM 1087 N GLU A 68 0.645 -7.996 3.886 1.00 0.00 N ATOM 1088 CA GLU A 68 1.731 -8.049 2.923 1.00 0.00 C ATOM 1089 C GLU A 68 2.429 -6.699 2.810 1.00 0.00 C ATOM 1090 O GLU A 68 3.654 -6.632 2.715 1.00 0.00 O ATOM 1091 CB GLU A 68 1.193 -8.482 1.560 1.00 0.00 C ATOM 1092 CG GLU A 68 1.183 -9.989 1.369 1.00 0.00 C ATOM 1093 CD GLU A 68 -0.137 -10.620 1.766 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -0.432 -10.666 2.980 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -0.876 -11.070 0.864 1.00 0.00 O ATOM 0 H GLU A 68 -0.258 -8.298 3.521 1.00 0.00 H new ATOM 0 HA GLU A 68 2.464 -8.778 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.179 -8.101 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.800 -8.027 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.392 -10.220 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.985 -10.431 1.960 1.00 0.00 H new ATOM 1102 N LEU A 69 1.646 -5.626 2.823 1.00 0.00 N ATOM 1103 CA LEU A 69 2.205 -4.283 2.723 1.00 0.00 C ATOM 1104 C LEU A 69 2.978 -3.927 3.989 1.00 0.00 C ATOM 1105 O LEU A 69 3.938 -3.158 3.947 1.00 0.00 O ATOM 1106 CB LEU A 69 1.100 -3.252 2.468 1.00 0.00 C ATOM 1107 CG LEU A 69 0.203 -3.527 1.252 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.962 -4.263 0.159 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.028 -4.312 1.672 1.00 0.00 C ATOM 0 H LEU A 69 0.630 -5.659 2.901 1.00 0.00 H new ATOM 0 HA LEU A 69 2.894 -4.266 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.470 -3.194 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.563 -2.273 2.341 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.116 -2.568 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.299 -4.442 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.809 -3.659 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.323 -5.216 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.655 -4.500 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.722 -5.262 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.592 -3.738 2.407 1.00 0.00 H new ATOM 1121 N THR A 70 2.559 -4.502 5.113 1.00 0.00 N ATOM 1122 CA THR A 70 3.220 -4.257 6.390 1.00 0.00 C ATOM 1123 C THR A 70 4.668 -4.734 6.339 1.00 0.00 C ATOM 1124 O THR A 70 5.557 -4.130 6.939 1.00 0.00 O ATOM 1125 CB THR A 70 2.473 -4.969 7.518 1.00 0.00 C ATOM 1126 OG1 THR A 70 1.113 -4.578 7.545 1.00 0.00 O ATOM 1127 CG2 THR A 70 3.055 -4.696 8.887 1.00 0.00 C ATOM 0 H THR A 70 1.765 -5.140 5.165 1.00 0.00 H new ATOM 0 HA THR A 70 3.212 -3.184 6.584 1.00 0.00 H new ATOM 0 HB THR A 70 2.574 -6.033 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.039 -3.678 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.478 -5.231 9.641 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.091 -5.033 8.916 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.016 -3.626 9.092 1.00 0.00 H new ATOM 1135 N SER A 71 4.895 -5.826 5.614 1.00 0.00 N ATOM 1136 CA SER A 71 6.233 -6.394 5.479 1.00 0.00 C ATOM 1137 C SER A 71 7.065 -5.600 4.473 1.00 0.00 C ATOM 1138 O SER A 71 8.241 -5.322 4.708 1.00 0.00 O ATOM 1139 CB SER A 71 6.148 -7.860 5.050 1.00 0.00 C ATOM 1140 OG SER A 71 6.829 -8.700 5.965 1.00 0.00 O ATOM 0 H SER A 71 4.169 -6.336 5.111 1.00 0.00 H new ATOM 0 HA SER A 71 6.724 -6.337 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.103 -8.162 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.578 -7.976 4.055 1.00 0.00 H new ATOM 0 HG SER A 71 6.758 -9.632 5.669 1.00 0.00 H new ATOM 1146 N LEU A 72 6.445 -5.236 3.352 1.00 0.00 N ATOM 1147 CA LEU A 72 7.128 -4.470 2.312 1.00 0.00 C ATOM 1148 C LEU A 72 7.754 -3.207 2.893 1.00 0.00 C ATOM 1149 O LEU A 72 8.892 -2.863 2.569 1.00 0.00 O ATOM 1150 CB LEU A 72 6.154 -4.107 1.196 1.00 0.00 C ATOM 1151 CG LEU A 72 5.836 -5.246 0.224 1.00 0.00 C ATOM 1152 CD1 LEU A 72 4.395 -5.154 -0.262 1.00 0.00 C ATOM 1153 CD2 LEU A 72 6.803 -5.227 -0.950 1.00 0.00 C ATOM 0 H LEU A 72 5.472 -5.459 3.141 1.00 0.00 H new ATOM 0 HA LEU A 72 7.924 -5.090 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.223 -3.761 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.566 -3.271 0.631 1.00 0.00 H new ATOM 0 HG LEU A 72 5.955 -6.192 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.191 -5.973 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.719 -5.220 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.243 -4.203 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.564 -6.043 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.717 -4.277 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.822 -5.348 -0.584 1.00 0.00 H new ATOM 1165 N VAL A 73 7.020 -2.537 3.778 1.00 0.00 N ATOM 1166 CA VAL A 73 7.525 -1.337 4.416 1.00 0.00 C ATOM 1167 C VAL A 73 8.678 -1.688 5.344 1.00 0.00 C ATOM 1168 O VAL A 73 9.706 -1.021 5.347 1.00 0.00 O ATOM 1169 CB VAL A 73 6.426 -0.616 5.218 1.00 0.00 C ATOM 1170 CG1 VAL A 73 6.963 0.666 5.837 1.00 0.00 C ATOM 1171 CG2 VAL A 73 5.227 -0.325 4.330 1.00 0.00 C ATOM 0 H VAL A 73 6.079 -2.807 4.065 1.00 0.00 H new ATOM 0 HA VAL A 73 7.871 -0.666 3.630 1.00 0.00 H new ATOM 0 HB VAL A 73 6.104 -1.272 6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.170 1.159 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.789 0.428 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.316 1.331 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.459 0.185 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.535 0.310 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.826 -1.261 3.941 1.00 0.00 H new ATOM 1181 N LYS A 74 8.504 -2.751 6.126 1.00 0.00 N ATOM 1182 CA LYS A 74 9.537 -3.196 7.055 1.00 0.00 C ATOM 1183 C LYS A 74 10.862 -3.423 6.333 1.00 0.00 C ATOM 1184 O LYS A 74 11.935 -3.238 6.908 1.00 0.00 O ATOM 1185 CB LYS A 74 9.095 -4.484 7.756 1.00 0.00 C ATOM 1186 CG LYS A 74 8.017 -4.301 8.827 1.00 0.00 C ATOM 1187 CD LYS A 74 7.486 -2.872 8.903 1.00 0.00 C ATOM 1188 CE LYS A 74 6.021 -2.840 9.304 1.00 0.00 C ATOM 1189 NZ LYS A 74 5.217 -1.996 8.376 1.00 0.00 N ATOM 0 H LYS A 74 7.657 -3.319 6.134 1.00 0.00 H new ATOM 0 HA LYS A 74 9.684 -2.414 7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.724 -5.180 7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.968 -4.947 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.189 -4.979 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.426 -4.583 9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.073 -2.303 9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.610 -2.385 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.623 -3.855 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.929 -2.454 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.294 -1.787 8.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.722 -1.106 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.073 -2.505 7.481 1.00 0.00 H new ATOM 1203 N GLU A 75 10.779 -3.825 5.069 1.00 0.00 N ATOM 1204 CA GLU A 75 11.968 -4.074 4.269 1.00 0.00 C ATOM 1205 C GLU A 75 12.588 -2.762 3.801 1.00 0.00 C ATOM 1206 O GLU A 75 13.798 -2.674 3.597 1.00 0.00 O ATOM 1207 CB GLU A 75 11.622 -4.949 3.062 1.00 0.00 C ATOM 1208 CG GLU A 75 11.422 -6.415 3.411 1.00 0.00 C ATOM 1209 CD GLU A 75 12.693 -7.072 3.914 1.00 0.00 C ATOM 1210 OE1 GLU A 75 13.616 -7.280 3.098 1.00 0.00 O ATOM 1211 OE2 GLU A 75 12.764 -7.382 5.122 1.00 0.00 O ATOM 0 H GLU A 75 9.899 -3.985 4.578 1.00 0.00 H new ATOM 0 HA GLU A 75 12.694 -4.598 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.713 -4.568 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.419 -4.865 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.647 -6.501 4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.065 -6.949 2.530 1.00 0.00 H new ATOM 1218 N VAL A 76 11.750 -1.741 3.632 1.00 0.00 N ATOM 1219 CA VAL A 76 12.225 -0.431 3.189 1.00 0.00 C ATOM 1220 C VAL A 76 12.364 0.542 4.359 1.00 0.00 C ATOM 1221 O VAL A 76 12.699 1.711 4.167 1.00 0.00 O ATOM 1222 CB VAL A 76 11.285 0.186 2.126 1.00 0.00 C ATOM 1223 CG1 VAL A 76 10.832 -0.873 1.135 1.00 0.00 C ATOM 1224 CG2 VAL A 76 10.079 0.856 2.774 1.00 0.00 C ATOM 0 H VAL A 76 10.744 -1.794 3.794 1.00 0.00 H new ATOM 0 HA VAL A 76 13.207 -0.594 2.744 1.00 0.00 H new ATOM 0 HB VAL A 76 11.847 0.951 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.172 -0.420 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.702 -1.298 0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.297 -1.662 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.439 1.279 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.517 0.118 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.418 1.650 3.439 1.00 0.00 H new ATOM 1234 N TYR A 77 12.085 0.060 5.564 1.00 0.00 N ATOM 1235 CA TYR A 77 12.158 0.894 6.752 1.00 0.00 C ATOM 1236 C TYR A 77 12.536 0.065 7.980 1.00 0.00 C ATOM 1237 O TYR A 77 11.755 -0.767 8.439 1.00 0.00 O ATOM 1238 CB TYR A 77 10.810 1.582 6.970 1.00 0.00 C ATOM 1239 CG TYR A 77 10.908 3.081 7.126 1.00 0.00 C ATOM 1240 CD1 TYR A 77 11.538 3.647 8.226 1.00 0.00 C ATOM 1241 CD2 TYR A 77 10.369 3.931 6.169 1.00 0.00 C ATOM 1242 CE1 TYR A 77 11.628 5.019 8.370 1.00 0.00 C ATOM 1243 CE2 TYR A 77 10.456 5.303 6.304 1.00 0.00 C ATOM 1244 CZ TYR A 77 11.085 5.843 7.405 1.00 0.00 C ATOM 1245 OH TYR A 77 11.175 7.208 7.544 1.00 0.00 O ATOM 0 H TYR A 77 11.806 -0.905 5.742 1.00 0.00 H new ATOM 0 HA TYR A 77 12.932 1.647 6.607 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.157 1.356 6.127 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.339 1.164 7.859 1.00 0.00 H new ATOM 0 HD1 TYR A 77 11.965 3.005 8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.874 3.513 5.305 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.120 5.444 9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.033 5.950 5.550 1.00 0.00 H new ATOM 0 HH TYR A 77 10.744 7.644 6.779 1.00 0.00 H new ATOM 1255 N PRO A 78 13.747 0.275 8.526 1.00 0.00 N ATOM 1256 CA PRO A 78 14.225 -0.463 9.699 1.00 0.00 C ATOM 1257 C PRO A 78 13.459 -0.103 10.970 1.00 0.00 C ATOM 1258 O PRO A 78 13.120 -0.975 11.771 1.00 0.00 O ATOM 1259 CB PRO A 78 15.697 -0.043 9.831 1.00 0.00 C ATOM 1260 CG PRO A 78 16.034 0.660 8.558 1.00 0.00 C ATOM 1261 CD PRO A 78 14.750 1.238 8.046 1.00 0.00 C ATOM 0 HA PRO A 78 14.087 -1.537 9.574 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.841 0.612 10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.340 -0.911 9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.772 1.443 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.465 -0.031 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 78 14.571 2.239 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.747 1.318 6.959 1.00 0.00 H new ATOM 1269 N GLU A 79 13.197 1.187 11.153 1.00 0.00 N ATOM 1270 CA GLU A 79 12.479 1.663 12.331 1.00 0.00 C ATOM 1271 C GLU A 79 11.094 1.030 12.438 1.00 0.00 C ATOM 1272 O GLU A 79 10.526 0.941 13.527 1.00 0.00 O ATOM 1273 CB GLU A 79 12.350 3.187 12.292 1.00 0.00 C ATOM 1274 CG GLU A 79 13.680 3.908 12.150 1.00 0.00 C ATOM 1275 CD GLU A 79 14.445 3.982 13.458 1.00 0.00 C ATOM 1276 OE1 GLU A 79 13.971 4.671 14.385 1.00 0.00 O ATOM 1277 OE2 GLU A 79 15.518 3.350 13.554 1.00 0.00 O ATOM 0 H GLU A 79 13.471 1.922 10.501 1.00 0.00 H new ATOM 0 HA GLU A 79 13.054 1.369 13.209 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.704 3.467 11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.859 3.525 13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.289 3.396 11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.504 4.917 11.778 1.00 0.00 H new ATOM 1284 N ALA A 80 10.549 0.596 11.305 1.00 0.00 N ATOM 1285 CA ALA A 80 9.228 -0.020 11.280 1.00 0.00 C ATOM 1286 C ALA A 80 9.282 -1.471 11.751 1.00 0.00 C ATOM 1287 O ALA A 80 8.348 -1.961 12.384 1.00 0.00 O ATOM 1288 CB ALA A 80 8.636 0.065 9.882 1.00 0.00 C ATOM 0 H ALA A 80 11.002 0.660 10.393 1.00 0.00 H new ATOM 0 HA ALA A 80 8.586 0.528 11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.649 -0.398 9.876 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.548 1.111 9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.286 -0.456 9.179 1.00 0.00 H new ATOM 1294 N ARG A 81 10.372 -2.159 11.421 1.00 0.00 N ATOM 1295 CA ARG A 81 10.542 -3.558 11.800 1.00 0.00 C ATOM 1296 C ARG A 81 10.316 -3.772 13.296 1.00 0.00 C ATOM 1297 O ARG A 81 9.996 -4.878 13.730 1.00 0.00 O ATOM 1298 CB ARG A 81 11.943 -4.041 11.415 1.00 0.00 C ATOM 1299 CG ARG A 81 12.148 -4.177 9.915 1.00 0.00 C ATOM 1300 CD ARG A 81 12.249 -5.635 9.492 1.00 0.00 C ATOM 1301 NE ARG A 81 13.544 -6.217 9.835 1.00 0.00 N ATOM 1302 CZ ARG A 81 14.040 -7.311 9.261 1.00 0.00 C ATOM 1303 NH1 ARG A 81 13.354 -7.945 8.319 1.00 0.00 N ATOM 1304 NH2 ARG A 81 15.227 -7.772 9.633 1.00 0.00 N ATOM 0 H ARG A 81 11.152 -1.769 10.891 1.00 0.00 H new ATOM 0 HA ARG A 81 9.793 -4.138 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.681 -3.344 11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.129 -5.005 11.888 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.319 -3.702 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.056 -3.649 9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.456 -6.207 9.973 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.091 -5.712 8.416 1.00 0.00 H new ATOM 0 HE ARG A 81 14.101 -5.759 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.441 -7.595 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.740 -8.783 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.758 -7.288 10.357 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.609 -8.610 9.195 1.00 0.00 H new ATOM 1318 N LYS A 82 10.481 -2.711 14.082 1.00 0.00 N ATOM 1319 CA LYS A 82 10.295 -2.795 15.527 1.00 0.00 C ATOM 1320 C LYS A 82 8.894 -3.293 15.869 1.00 0.00 C ATOM 1321 O LYS A 82 7.902 -2.817 15.317 1.00 0.00 O ATOM 1322 CB LYS A 82 10.540 -1.429 16.172 1.00 0.00 C ATOM 1323 CG LYS A 82 11.797 -1.380 17.028 1.00 0.00 C ATOM 1324 CD LYS A 82 12.644 -0.154 16.716 1.00 0.00 C ATOM 1325 CE LYS A 82 14.117 -0.509 16.588 1.00 0.00 C ATOM 1326 NZ LYS A 82 14.576 -0.477 15.171 1.00 0.00 N ATOM 0 H LYS A 82 10.743 -1.785 13.743 1.00 0.00 H new ATOM 0 HA LYS A 82 11.017 -3.509 15.922 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.613 -0.674 15.389 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.680 -1.167 16.788 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.519 -1.372 18.082 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.386 -2.282 16.861 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.297 0.302 15.789 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.515 0.588 17.504 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.711 0.189 17.178 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.288 -1.502 17.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.585 -0.725 15.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.027 -1.161 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.437 0.478 14.782 1.00 0.00 H new ATOM 1340 N LYS A 83 8.821 -4.253 16.785 1.00 0.00 N ATOM 1341 CA LYS A 83 7.543 -4.817 17.204 1.00 0.00 C ATOM 1342 C LYS A 83 6.713 -3.780 17.955 1.00 0.00 C ATOM 1343 O LYS A 83 7.251 -2.973 18.712 1.00 0.00 O ATOM 1344 CB LYS A 83 7.765 -6.046 18.086 1.00 0.00 C ATOM 1345 CG LYS A 83 6.590 -7.008 18.098 1.00 0.00 C ATOM 1346 CD LYS A 83 6.997 -8.380 18.609 1.00 0.00 C ATOM 1347 CE LYS A 83 6.086 -9.469 18.068 1.00 0.00 C ATOM 1348 NZ LYS A 83 4.867 -9.642 18.906 1.00 0.00 N ATOM 0 H LYS A 83 9.633 -4.657 17.252 1.00 0.00 H new ATOM 0 HA LYS A 83 6.997 -5.117 16.310 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.653 -6.575 17.740 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.966 -5.719 19.106 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.796 -6.606 18.727 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.184 -7.100 17.091 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.027 -8.587 18.317 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.967 -8.387 19.699 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.793 -9.223 17.047 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.633 -10.411 18.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.272 -10.394 18.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.145 -9.902 19.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.331 -8.751 18.927 1.00 0.00 H new ATOM 1362 N GLY A 84 5.403 -3.810 17.740 1.00 0.00 N ATOM 1363 CA GLY A 84 4.522 -2.867 18.405 1.00 0.00 C ATOM 1364 C GLY A 84 4.310 -1.596 17.605 1.00 0.00 C ATOM 1365 O GLY A 84 3.589 -0.696 18.040 1.00 0.00 O ATOM 0 H GLY A 84 4.935 -4.469 17.118 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.558 -3.342 18.585 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.939 -2.612 19.379 1.00 0.00 H new ATOM 1369 N THR A 85 4.937 -1.513 16.434 1.00 0.00 N ATOM 1370 CA THR A 85 4.808 -0.338 15.580 1.00 0.00 C ATOM 1371 C THR A 85 3.417 -0.261 14.957 1.00 0.00 C ATOM 1372 O THR A 85 3.022 -1.137 14.187 1.00 0.00 O ATOM 1373 CB THR A 85 5.873 -0.365 14.482 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.170 -0.455 15.044 1.00 0.00 O ATOM 1375 CG2 THR A 85 5.844 0.856 13.592 1.00 0.00 C ATOM 0 H THR A 85 5.538 -2.245 16.056 1.00 0.00 H new ATOM 0 HA THR A 85 4.953 0.547 16.199 1.00 0.00 H new ATOM 0 HB THR A 85 5.642 -1.242 13.877 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.582 -1.305 14.783 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.624 0.773 12.835 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.872 0.928 13.105 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.015 1.749 14.193 1.00 0.00 H new ATOM 1383 N HIS A 86 2.680 0.791 15.295 1.00 0.00 N ATOM 1384 CA HIS A 86 1.333 0.988 14.771 1.00 0.00 C ATOM 1385 C HIS A 86 1.347 1.930 13.572 1.00 0.00 C ATOM 1386 O HIS A 86 1.681 3.108 13.703 1.00 0.00 O ATOM 1387 CB HIS A 86 0.417 1.548 15.861 1.00 0.00 C ATOM 1388 CG HIS A 86 -1.038 1.307 15.603 1.00 0.00 C ATOM 1389 ND1 HIS A 86 -1.789 2.083 14.744 1.00 0.00 N ATOM 1390 CD2 HIS A 86 -1.882 0.372 16.098 1.00 0.00 C ATOM 1391 CE1 HIS A 86 -3.032 1.634 14.722 1.00 0.00 C ATOM 1392 NE2 HIS A 86 -3.114 0.597 15.534 1.00 0.00 N ATOM 0 H HIS A 86 2.994 1.523 15.932 1.00 0.00 H new ATOM 0 HA HIS A 86 0.952 0.020 14.446 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.687 1.099 16.817 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.589 2.621 15.952 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.633 -0.406 16.805 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.842 2.046 14.139 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.956 0.051 15.714 1.00 0.00 H new ATOM 1400 N PHE A 87 0.986 1.408 12.401 1.00 0.00 N ATOM 1401 CA PHE A 87 0.966 2.214 11.183 1.00 0.00 C ATOM 1402 C PHE A 87 -0.413 2.199 10.528 1.00 0.00 C ATOM 1403 O PHE A 87 -0.988 1.138 10.288 1.00 0.00 O ATOM 1404 CB PHE A 87 2.024 1.727 10.187 1.00 0.00 C ATOM 1405 CG PHE A 87 2.561 0.356 10.488 1.00 0.00 C ATOM 1406 CD1 PHE A 87 1.856 -0.773 10.109 1.00 0.00 C ATOM 1407 CD2 PHE A 87 3.768 0.201 11.148 1.00 0.00 C ATOM 1408 CE1 PHE A 87 2.347 -2.036 10.382 1.00 0.00 C ATOM 1409 CE2 PHE A 87 4.262 -1.058 11.425 1.00 0.00 C ATOM 1410 CZ PHE A 87 3.551 -2.177 11.042 1.00 0.00 C ATOM 0 H PHE A 87 0.705 0.436 12.271 1.00 0.00 H new ATOM 0 HA PHE A 87 1.198 3.240 11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.593 1.725 9.186 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.852 2.436 10.176 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.912 -0.666 9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.329 1.074 11.449 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.790 -2.910 10.080 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.204 -1.167 11.941 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.936 -3.162 11.259 1.00 0.00 H new ATOM 1420 N ASN A 88 -0.933 3.390 10.240 1.00 0.00 N ATOM 1421 CA ASN A 88 -2.243 3.526 9.612 1.00 0.00 C ATOM 1422 C ASN A 88 -2.110 3.899 8.139 1.00 0.00 C ATOM 1423 O ASN A 88 -1.326 4.778 7.781 1.00 0.00 O ATOM 1424 CB ASN A 88 -3.072 4.584 10.344 1.00 0.00 C ATOM 1425 CG ASN A 88 -4.555 4.464 10.048 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -4.951 4.052 8.957 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -5.383 4.827 11.021 1.00 0.00 N ATOM 0 H ASN A 88 -0.465 4.276 10.432 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.750 2.563 9.677 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.910 4.490 11.418 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.726 5.576 10.055 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.392 4.770 10.880 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.010 5.163 11.909 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.881 3.225 7.291 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.850 3.486 5.856 1.00 0.00 C ATOM 1436 C PHE A 89 -3.996 4.397 5.437 1.00 0.00 C ATOM 1437 O PHE A 89 -5.145 4.200 5.845 1.00 0.00 O ATOM 1438 CB PHE A 89 -2.915 2.177 5.065 1.00 0.00 C ATOM 1439 CG PHE A 89 -1.938 1.137 5.528 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -2.210 0.367 6.643 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -0.752 0.923 4.845 1.00 0.00 C ATOM 1442 CE1 PHE A 89 -1.322 -0.594 7.075 1.00 0.00 C ATOM 1443 CE2 PHE A 89 0.145 -0.040 5.272 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.142 -0.801 6.388 1.00 0.00 C ATOM 0 H PHE A 89 -3.535 2.494 7.573 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.908 3.989 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.924 1.771 5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.731 2.391 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.132 0.521 7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.525 1.514 3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.549 -1.185 7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.068 -0.196 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.554 -1.556 6.723 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.672 5.377 4.597 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.654 6.324 4.090 1.00 0.00 C ATOM 1456 C ALA A 90 -4.372 6.683 2.637 1.00 0.00 C ATOM 1457 O ALA A 90 -3.279 6.444 2.126 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.661 7.583 4.947 1.00 0.00 C ATOM 0 H ALA A 90 -2.725 5.534 4.252 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.635 5.852 4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.400 8.284 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.914 7.322 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.674 8.045 4.923 1.00 0.00 H new ATOM 1464 N ILE A 91 -5.366 7.267 1.979 1.00 0.00 N ATOM 1465 CA ILE A 91 -5.225 7.675 0.588 1.00 0.00 C ATOM 1466 C ILE A 91 -5.240 9.198 0.481 1.00 0.00 C ATOM 1467 O ILE A 91 -6.270 9.837 0.698 1.00 0.00 O ATOM 1468 CB ILE A 91 -6.333 7.050 -0.299 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -5.872 6.980 -1.756 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -7.643 7.818 -0.183 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -5.803 8.328 -2.442 1.00 0.00 C ATOM 0 H ILE A 91 -6.279 7.469 2.387 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.266 7.308 0.222 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.516 6.037 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.888 6.513 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.552 6.335 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.396 7.351 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.983 7.804 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.489 8.849 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.469 8.196 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.791 8.789 -2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.100 8.971 -1.912 1.00 0.00 H new ATOM 1483 N VAL A 92 -4.079 9.774 0.176 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.946 11.224 0.062 1.00 0.00 C ATOM 1485 C VAL A 92 -3.136 11.613 -1.173 1.00 0.00 C ATOM 1486 O VAL A 92 -2.410 10.795 -1.732 1.00 0.00 O ATOM 1487 CB VAL A 92 -3.268 11.811 1.316 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -1.858 11.266 1.462 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -3.257 13.331 1.265 1.00 0.00 C ATOM 0 H VAL A 92 -3.216 9.258 0.003 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.952 11.633 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.845 11.509 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.394 11.691 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.895 10.181 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.271 11.535 0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.774 13.722 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.708 13.661 0.383 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.281 13.701 1.215 1.00 0.00 H new ATOM 1673 N VAL A 103 -8.502 13.002 1.497 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.530 12.250 2.283 1.00 0.00 C ATOM 1675 C VAL A 103 -8.197 11.568 3.475 1.00 0.00 C ATOM 1676 O VAL A 103 -8.798 12.227 4.323 1.00 0.00 O ATOM 1677 CB VAL A 103 -6.381 13.155 2.781 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -6.930 14.428 3.407 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -5.484 12.412 3.762 1.00 0.00 C ATOM 0 HA VAL A 103 -7.111 11.488 1.626 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.775 13.433 1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.104 15.050 3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.513 14.976 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.567 14.172 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.684 13.073 4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.072 12.091 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.053 11.539 3.271 1.00 0.00 H new ATOM 1689 N LYS A 104 -8.086 10.245 3.528 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.682 9.474 4.617 1.00 0.00 C ATOM 1691 C LYS A 104 -8.004 8.115 4.766 1.00 0.00 C ATOM 1692 O LYS A 104 -7.445 7.584 3.807 1.00 0.00 O ATOM 1693 CB LYS A 104 -10.182 9.286 4.373 1.00 0.00 C ATOM 1694 CG LYS A 104 -11.037 9.550 5.602 1.00 0.00 C ATOM 1695 CD LYS A 104 -11.509 10.995 5.654 1.00 0.00 C ATOM 1696 CE LYS A 104 -13.002 11.085 5.929 1.00 0.00 C ATOM 1697 NZ LYS A 104 -13.418 12.468 6.294 1.00 0.00 N ATOM 0 H LYS A 104 -7.591 9.685 2.834 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.536 10.031 5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.497 9.954 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.361 8.267 4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.900 8.884 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.464 9.321 6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.962 11.530 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.282 11.487 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.554 10.761 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.264 10.402 6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -14.442 12.486 6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.911 12.768 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.192 13.116 5.513 1.00 0.00 H new ATOM 1711 N GLU A 105 -8.059 7.555 5.973 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.449 6.255 6.234 1.00 0.00 C ATOM 1713 C GLU A 105 -8.442 5.128 5.985 1.00 0.00 C ATOM 1714 O GLU A 105 -9.647 5.291 6.182 1.00 0.00 O ATOM 1715 CB GLU A 105 -6.916 6.167 7.666 1.00 0.00 C ATOM 1716 CG GLU A 105 -5.839 7.191 7.992 1.00 0.00 C ATOM 1717 CD GLU A 105 -6.333 8.621 7.890 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -7.107 9.046 8.772 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -5.946 9.316 6.927 1.00 0.00 O ATOM 0 H GLU A 105 -8.517 7.979 6.780 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.611 6.147 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.747 6.296 8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.514 5.167 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.468 7.011 9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -4.997 7.054 7.313 1.00 0.00 H new ATOM 1726 N ILE A 106 -7.925 3.986 5.549 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.763 2.824 5.268 1.00 0.00 C ATOM 1728 C ILE A 106 -8.522 1.714 6.291 1.00 0.00 C ATOM 1729 O ILE A 106 -9.375 0.848 6.486 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.529 2.261 3.843 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.247 2.829 3.219 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.727 2.560 2.949 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -5.981 2.187 3.742 1.00 0.00 C ATOM 0 H ILE A 106 -6.930 3.838 5.382 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.795 3.167 5.335 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.411 1.181 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.291 2.698 2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.205 3.902 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.546 2.158 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.620 2.098 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.873 3.638 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.116 2.639 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.913 2.341 4.819 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.000 1.118 3.528 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.362 1.743 6.940 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.046 0.727 7.933 1.00 0.00 C ATOM 1747 C GLY A 107 -5.602 0.801 8.387 1.00 0.00 C ATOM 1748 O GLY A 107 -4.755 1.312 7.662 1.00 0.00 O ATOM 0 H GLY A 107 -6.637 2.447 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.703 0.847 8.795 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.244 -0.260 7.516 1.00 0.00 H new ATOM 1752 N SER A 108 -5.323 0.302 9.591 1.00 0.00 N ATOM 1753 CA SER A 108 -3.971 0.334 10.142 1.00 0.00 C ATOM 1754 C SER A 108 -3.489 -1.060 10.539 1.00 0.00 C ATOM 1755 O SER A 108 -4.220 -1.830 11.160 1.00 0.00 O ATOM 1756 CB SER A 108 -3.933 1.251 11.364 1.00 0.00 C ATOM 1757 OG SER A 108 -2.695 1.147 12.044 1.00 0.00 O ATOM 0 H SER A 108 -6.016 -0.129 10.203 1.00 0.00 H new ATOM 0 HA SER A 108 -3.306 0.714 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.094 2.283 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.746 0.992 12.042 1.00 0.00 H new ATOM 0 HG SER A 108 -2.016 0.791 11.434 1.00 0.00 H new ATOM 1763 N THR A 109 -2.239 -1.366 10.198 1.00 0.00 N ATOM 1764 CA THR A 109 -1.643 -2.657 10.531 1.00 0.00 C ATOM 1765 C THR A 109 -0.598 -2.495 11.633 1.00 0.00 C ATOM 1766 O THR A 109 -0.504 -1.438 12.256 1.00 0.00 O ATOM 1767 CB THR A 109 -1.013 -3.298 9.295 1.00 0.00 C ATOM 1768 OG1 THR A 109 0.016 -2.479 8.771 1.00 0.00 O ATOM 1769 CG2 THR A 109 -2.008 -3.552 8.187 1.00 0.00 C ATOM 0 H THR A 109 -1.618 -0.736 9.690 1.00 0.00 H new ATOM 0 HA THR A 109 -2.434 -3.313 10.893 1.00 0.00 H new ATOM 0 HB THR A 109 -0.616 -4.255 9.635 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.217 -2.204 7.860 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.499 -4.008 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.788 -4.223 8.545 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.456 -2.608 7.877 1.00 0.00 H new ATOM 1777 N MET A 110 0.180 -3.545 11.875 1.00 0.00 N ATOM 1778 CA MET A 110 1.206 -3.505 12.910 1.00 0.00 C ATOM 1779 C MET A 110 2.357 -4.451 12.587 1.00 0.00 C ATOM 1780 O MET A 110 2.220 -5.357 11.765 1.00 0.00 O ATOM 1781 CB MET A 110 0.602 -3.868 14.265 1.00 0.00 C ATOM 1782 CG MET A 110 -0.339 -2.810 14.816 1.00 0.00 C ATOM 1783 SD MET A 110 -0.264 -2.687 16.611 1.00 0.00 S ATOM 1784 CE MET A 110 1.477 -2.346 16.848 1.00 0.00 C ATOM 0 H MET A 110 0.120 -4.430 11.371 1.00 0.00 H new ATOM 0 HA MET A 110 1.601 -2.490 12.950 1.00 0.00 H new ATOM 0 HB2 MET A 110 0.061 -4.810 14.171 1.00 0.00 H new ATOM 0 HB3 MET A 110 1.408 -4.033 14.980 1.00 0.00 H new ATOM 0 HG2 MET A 110 -0.090 -1.843 14.378 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.360 -3.043 14.513 1.00 0.00 H new ATOM 0 HE1 MET A 110 1.650 -2.033 17.878 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.056 -3.246 16.640 1.00 0.00 H new ATOM 0 HE3 MET A 110 1.787 -1.551 16.171 1.00 0.00 H new ATOM 1794 N SER A 111 3.494 -4.227 13.238 1.00 0.00 N ATOM 1795 CA SER A 111 4.678 -5.049 13.021 1.00 0.00 C ATOM 1796 C SER A 111 4.523 -6.424 13.664 1.00 0.00 C ATOM 1797 O SER A 111 4.966 -6.646 14.790 1.00 0.00 O ATOM 1798 CB SER A 111 5.916 -4.349 13.583 1.00 0.00 C ATOM 1799 OG SER A 111 6.214 -3.173 12.852 1.00 0.00 O ATOM 0 H SER A 111 3.620 -3.481 13.922 1.00 0.00 H new ATOM 0 HA SER A 111 4.798 -5.187 11.946 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.751 -4.097 14.631 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.768 -5.028 13.549 1.00 0.00 H new ATOM 0 HG SER A 111 7.167 -2.964 12.942 1.00 0.00 H new ATOM 1805 N GLY A 112 3.896 -7.345 12.937 1.00 0.00 N ATOM 1806 CA GLY A 112 3.704 -8.688 13.453 1.00 0.00 C ATOM 1807 C GLY A 112 2.444 -8.828 14.286 1.00 0.00 C ATOM 1808 O GLY A 112 2.342 -9.730 15.117 1.00 0.00 O ATOM 0 H GLY A 112 3.519 -7.185 12.003 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.662 -9.389 12.619 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.566 -8.965 14.059 1.00 0.00 H new ATOM 1812 N ARG A 113 1.479 -7.941 14.064 1.00 0.00 N ATOM 1813 CA ARG A 113 0.222 -7.983 14.804 1.00 0.00 C ATOM 1814 C ARG A 113 -0.961 -8.125 13.851 1.00 0.00 C ATOM 1815 O ARG A 113 -1.313 -7.188 13.136 1.00 0.00 O ATOM 1816 CB ARG A 113 0.062 -6.724 15.659 1.00 0.00 C ATOM 1817 CG ARG A 113 -0.190 -7.017 17.129 1.00 0.00 C ATOM 1818 CD ARG A 113 -1.131 -5.998 17.750 1.00 0.00 C ATOM 1819 NE ARG A 113 -2.346 -5.819 16.957 1.00 0.00 N ATOM 1820 CZ ARG A 113 -3.234 -4.850 17.167 1.00 0.00 C ATOM 1821 NH1 ARG A 113 -3.049 -3.971 18.145 1.00 0.00 N ATOM 1822 NH2 ARG A 113 -4.309 -4.759 16.396 1.00 0.00 N ATOM 0 H ARG A 113 1.543 -7.187 13.380 1.00 0.00 H new ATOM 0 HA ARG A 113 0.243 -8.853 15.461 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.962 -6.115 15.567 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.765 -6.132 15.268 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.614 -8.016 17.234 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.757 -7.014 17.669 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -1.399 -6.319 18.757 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.617 -5.042 17.846 1.00 0.00 H new ATOM 0 HE ARG A 113 -2.524 -6.476 16.197 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.223 -4.036 18.740 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.733 -3.231 18.301 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -4.455 -5.431 15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.990 -4.017 16.556 1.00 0.00 H new ATOM 1836 N LYS A 114 -1.566 -9.307 13.846 1.00 0.00 N ATOM 1837 CA LYS A 114 -2.706 -9.579 12.979 1.00 0.00 C ATOM 1838 C LYS A 114 -3.926 -8.765 13.399 1.00 0.00 C ATOM 1839 O LYS A 114 -4.729 -9.211 14.219 1.00 0.00 O ATOM 1840 CB LYS A 114 -3.043 -11.071 13.001 1.00 0.00 C ATOM 1841 CG LYS A 114 -3.519 -11.609 11.660 1.00 0.00 C ATOM 1842 CD LYS A 114 -3.535 -13.128 11.642 1.00 0.00 C ATOM 1843 CE LYS A 114 -4.785 -13.679 12.310 1.00 0.00 C ATOM 1844 NZ LYS A 114 -4.545 -15.016 12.920 1.00 0.00 N ATOM 0 H LYS A 114 -1.286 -10.093 14.433 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.433 -9.286 11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.161 -11.629 13.314 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.815 -11.249 13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.520 -11.231 11.450 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.867 -11.242 10.868 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.485 -13.481 10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.650 -13.509 12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.122 -12.984 13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.586 -13.754 11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.421 -15.357 13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.248 -15.686 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.798 -14.940 13.640 1.00 0.00 H new ATOM 1858 N GLY A 115 -4.064 -7.574 12.826 1.00 0.00 N ATOM 1859 CA GLY A 115 -5.193 -6.722 13.148 1.00 0.00 C ATOM 1860 C GLY A 115 -6.439 -7.117 12.381 1.00 0.00 C ATOM 1861 O GLY A 115 -6.500 -8.202 11.803 1.00 0.00 O ATOM 0 H GLY A 115 -3.414 -7.184 12.144 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.394 -6.775 14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -4.941 -5.686 12.922 1.00 0.00 H new ATOM 1865 N THR A 116 -7.436 -6.239 12.369 1.00 0.00 N ATOM 1866 CA THR A 116 -8.682 -6.511 11.661 1.00 0.00 C ATOM 1867 C THR A 116 -8.574 -6.099 10.196 1.00 0.00 C ATOM 1868 O THR A 116 -9.209 -6.692 9.324 1.00 0.00 O ATOM 1869 CB THR A 116 -9.845 -5.772 12.325 1.00 0.00 C ATOM 1870 OG1 THR A 116 -9.504 -4.420 12.570 1.00 0.00 O ATOM 1871 CG2 THR A 116 -10.270 -6.386 13.641 1.00 0.00 C ATOM 0 H THR A 116 -7.406 -5.335 12.840 1.00 0.00 H new ATOM 0 HA THR A 116 -8.870 -7.584 11.708 1.00 0.00 H new ATOM 0 HB THR A 116 -10.676 -5.848 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.261 -3.963 12.993 1.00 0.00 H new ATOM 0 HG21 THR A 116 -11.098 -5.814 14.059 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.587 -7.416 13.477 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.431 -6.371 14.337 1.00 0.00 H new ATOM 1879 N ASP A 117 -7.764 -5.078 9.933 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.570 -4.582 8.576 1.00 0.00 C ATOM 1881 C ASP A 117 -6.473 -5.361 7.858 1.00 0.00 C ATOM 1882 O ASP A 117 -6.468 -5.453 6.630 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.222 -3.093 8.601 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.206 -2.281 9.417 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -9.323 -2.026 8.918 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -7.862 -1.899 10.555 1.00 0.00 O ATOM 0 H ASP A 117 -7.231 -4.578 10.644 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.503 -4.723 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.221 -2.964 9.012 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.199 -2.711 7.580 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.542 -5.918 8.628 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.436 -6.687 8.063 1.00 0.00 C ATOM 1893 C ASP A 118 -4.939 -7.734 7.071 1.00 0.00 C ATOM 1894 O ASP A 118 -4.328 -7.956 6.026 1.00 0.00 O ATOM 1895 CB ASP A 118 -3.642 -7.369 9.178 1.00 0.00 C ATOM 1896 CG ASP A 118 -2.522 -6.495 9.707 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -2.819 -5.524 10.434 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -1.346 -6.782 9.395 1.00 0.00 O ATOM 0 H ASP A 118 -5.531 -5.851 9.646 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.786 -5.994 7.529 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.316 -7.626 9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.224 -8.304 8.804 1.00 0.00 H new ATOM 1903 N SER A 119 -6.055 -8.374 7.407 1.00 0.00 N ATOM 1904 CA SER A 119 -6.636 -9.398 6.546 1.00 0.00 C ATOM 1905 C SER A 119 -7.323 -8.783 5.326 1.00 0.00 C ATOM 1906 O SER A 119 -7.754 -9.499 4.422 1.00 0.00 O ATOM 1907 CB SER A 119 -7.638 -10.244 7.335 1.00 0.00 C ATOM 1908 OG SER A 119 -8.623 -9.430 7.949 1.00 0.00 O ATOM 0 H SER A 119 -6.574 -8.202 8.268 1.00 0.00 H new ATOM 0 HA SER A 119 -5.824 -10.033 6.191 1.00 0.00 H new ATOM 0 HB2 SER A 119 -8.118 -10.960 6.668 1.00 0.00 H new ATOM 0 HB3 SER A 119 -7.112 -10.820 8.096 1.00 0.00 H new ATOM 0 HG SER A 119 -9.251 -9.995 8.445 1.00 0.00 H new ATOM 1914 N MET A 120 -7.420 -7.455 5.300 1.00 0.00 N ATOM 1915 CA MET A 120 -8.050 -6.758 4.185 1.00 0.00 C ATOM 1916 C MET A 120 -7.091 -6.657 3.004 1.00 0.00 C ATOM 1917 O MET A 120 -5.878 -6.753 3.172 1.00 0.00 O ATOM 1918 CB MET A 120 -8.495 -5.361 4.615 1.00 0.00 C ATOM 1919 CG MET A 120 -9.757 -4.882 3.916 1.00 0.00 C ATOM 1920 SD MET A 120 -10.656 -3.647 4.875 1.00 0.00 S ATOM 1921 CE MET A 120 -9.345 -2.483 5.242 1.00 0.00 C ATOM 0 H MET A 120 -7.071 -6.843 6.037 1.00 0.00 H new ATOM 0 HA MET A 120 -8.925 -7.329 3.876 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.663 -5.358 5.692 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.689 -4.655 4.416 1.00 0.00 H new ATOM 0 HG2 MET A 120 -9.493 -4.461 2.946 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.409 -5.735 3.727 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.308 -2.303 6.316 1.00 0.00 H new ATOM 0 HE2 MET A 120 -8.391 -2.893 4.910 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.537 -1.544 4.723 1.00 0.00 H new ATOM 1931 N THR A 121 -7.643 -6.459 1.810 1.00 0.00 N ATOM 1932 CA THR A 121 -6.832 -6.341 0.603 1.00 0.00 C ATOM 1933 C THR A 121 -6.767 -4.893 0.130 1.00 0.00 C ATOM 1934 O THR A 121 -7.671 -4.104 0.400 1.00 0.00 O ATOM 1935 CB THR A 121 -7.403 -7.226 -0.507 1.00 0.00 C ATOM 1936 OG1 THR A 121 -8.813 -7.100 -0.572 1.00 0.00 O ATOM 1937 CG2 THR A 121 -7.082 -8.694 -0.325 1.00 0.00 C ATOM 0 H THR A 121 -8.648 -6.377 1.653 1.00 0.00 H new ATOM 0 HA THR A 121 -5.821 -6.672 0.841 1.00 0.00 H new ATOM 0 HB THR A 121 -6.932 -6.878 -1.426 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.213 -7.979 -0.739 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.516 -9.266 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 121 -6.001 -8.832 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.498 -9.043 0.620 1.00 0.00 H new ATOM 1945 N LEU A 122 -5.696 -4.547 -0.581 1.00 0.00 N ATOM 1946 CA LEU A 122 -5.528 -3.192 -1.090 1.00 0.00 C ATOM 1947 C LEU A 122 -6.667 -2.827 -2.038 1.00 0.00 C ATOM 1948 O LEU A 122 -7.264 -1.757 -1.929 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.183 -3.056 -1.807 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.066 -2.428 -0.973 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -1.745 -2.477 -1.726 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -3.418 -0.995 -0.604 1.00 0.00 C ATOM 0 H LEU A 122 -4.936 -5.185 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.548 -2.505 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.860 -4.045 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.326 -2.456 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 122 -2.958 -3.003 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.962 -2.026 -1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.486 -3.514 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.839 -1.927 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.612 -0.564 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.554 -0.408 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.341 -0.985 -0.024 1.00 0.00 H new ATOM 1964 N GLN A 123 -6.961 -3.729 -2.971 1.00 0.00 N ATOM 1965 CA GLN A 123 -8.029 -3.513 -3.946 1.00 0.00 C ATOM 1966 C GLN A 123 -9.316 -3.052 -3.267 1.00 0.00 C ATOM 1967 O GLN A 123 -10.073 -2.258 -3.822 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.299 -4.796 -4.742 1.00 0.00 C ATOM 1969 CG GLN A 123 -8.174 -6.070 -3.919 1.00 0.00 C ATOM 1970 CD GLN A 123 -9.449 -6.891 -3.896 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -10.504 -6.436 -4.341 1.00 0.00 O ATOM 1972 NE2 GLN A 123 -9.356 -8.108 -3.372 1.00 0.00 N ATOM 0 H GLN A 123 -6.474 -4.619 -3.073 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.697 -2.729 -4.627 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -9.302 -4.745 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.603 -4.846 -5.579 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.365 -6.678 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.898 -5.810 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.461 -8.443 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.180 -8.708 -3.326 1.00 0.00 H new ATOM 1981 N SER A 124 -9.560 -3.557 -2.062 1.00 0.00 N ATOM 1982 CA SER A 124 -10.756 -3.199 -1.309 1.00 0.00 C ATOM 1983 C SER A 124 -10.647 -1.789 -0.738 1.00 0.00 C ATOM 1984 O SER A 124 -11.658 -1.153 -0.436 1.00 0.00 O ATOM 1985 CB SER A 124 -10.996 -4.203 -0.181 1.00 0.00 C ATOM 1986 OG SER A 124 -11.794 -5.287 -0.623 1.00 0.00 O ATOM 0 H SER A 124 -8.944 -4.216 -1.586 1.00 0.00 H new ATOM 0 HA SER A 124 -11.603 -3.225 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.040 -4.577 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.486 -3.704 0.655 1.00 0.00 H new ATOM 0 HG SER A 124 -11.931 -5.915 0.117 1.00 0.00 H new ATOM 1992 N GLN A 125 -9.420 -1.299 -0.595 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.189 0.039 -0.064 1.00 0.00 C ATOM 1994 C GLN A 125 -9.105 1.061 -1.194 1.00 0.00 C ATOM 1995 O GLN A 125 -8.244 1.942 -1.189 1.00 0.00 O ATOM 1996 CB GLN A 125 -7.907 0.066 0.768 1.00 0.00 C ATOM 1997 CG GLN A 125 -8.073 -0.535 2.155 1.00 0.00 C ATOM 1998 CD GLN A 125 -8.183 -2.047 2.124 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -9.185 -2.598 1.670 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -7.151 -2.726 2.612 1.00 0.00 N ATOM 0 H GLN A 125 -8.571 -1.808 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.030 0.302 0.577 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.126 -0.477 0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.568 1.097 0.865 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.224 -0.248 2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.965 -0.119 2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -6.340 -2.228 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.169 -3.746 2.620 1.00 0.00 H new ATOM 2009 N LYS A 126 -10.009 0.929 -2.166 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.061 1.829 -3.319 1.00 0.00 C ATOM 2011 C LYS A 126 -8.666 2.144 -3.861 1.00 0.00 C ATOM 2012 O LYS A 126 -8.441 3.211 -4.433 1.00 0.00 O ATOM 2013 CB LYS A 126 -10.792 3.124 -2.956 1.00 0.00 C ATOM 2014 CG LYS A 126 -10.073 3.970 -1.918 1.00 0.00 C ATOM 2015 CD LYS A 126 -10.899 5.183 -1.521 1.00 0.00 C ATOM 2016 CE LYS A 126 -12.007 4.808 -0.549 1.00 0.00 C ATOM 2017 NZ LYS A 126 -12.080 5.751 0.600 1.00 0.00 N ATOM 0 H LYS A 126 -10.722 0.200 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 126 -10.613 1.316 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.930 3.717 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -11.785 2.876 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.864 3.366 -1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.112 4.297 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -10.252 5.932 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -11.333 5.637 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -12.963 4.800 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -11.838 3.797 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -12.847 5.461 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.177 5.740 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -12.267 6.712 0.249 1.00 0.00 H new ATOM 2031 N PHE A 127 -7.737 1.211 -3.681 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.370 1.387 -4.156 1.00 0.00 C ATOM 2033 C PHE A 127 -6.225 0.874 -5.587 1.00 0.00 C ATOM 2034 O PHE A 127 -6.966 -0.007 -6.019 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.398 0.650 -3.236 1.00 0.00 C ATOM 2036 CG PHE A 127 -3.956 0.875 -3.583 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -3.364 2.110 -3.378 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.189 -0.152 -4.111 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -2.036 2.319 -3.694 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -1.862 0.050 -4.430 1.00 0.00 C ATOM 2041 CZ PHE A 127 -1.284 1.287 -4.220 1.00 0.00 C ATOM 0 H PHE A 127 -7.907 0.323 -3.208 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.136 2.452 -4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -5.570 0.970 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.611 -0.418 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.948 2.920 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.636 -1.122 -4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.587 3.287 -3.530 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.276 -0.758 -4.843 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.245 1.447 -4.467 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.265 1.434 -6.318 1.00 0.00 N ATOM 2052 CA GLN A 128 -5.025 1.032 -7.701 1.00 0.00 C ATOM 2053 C GLN A 128 -3.555 1.209 -8.072 1.00 0.00 C ATOM 2054 O GLN A 128 -2.751 1.666 -7.261 1.00 0.00 O ATOM 2055 CB GLN A 128 -5.909 1.846 -8.651 1.00 0.00 C ATOM 2056 CG GLN A 128 -6.948 1.008 -9.377 1.00 0.00 C ATOM 2057 CD GLN A 128 -8.073 1.846 -9.952 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -7.879 2.590 -10.915 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -9.259 1.730 -9.365 1.00 0.00 N ATOM 0 H GLN A 128 -4.642 2.166 -5.977 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.279 -0.024 -7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.415 2.627 -8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.277 2.344 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -6.465 0.453 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.363 0.273 -8.688 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.375 1.102 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -10.053 2.269 -9.709 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.211 0.844 -9.303 1.00 0.00 N ATOM 2069 CA ILE A 129 -1.838 0.966 -9.779 1.00 0.00 C ATOM 2070 C ILE A 129 -1.457 2.429 -9.973 1.00 0.00 C ATOM 2071 O ILE A 129 -2.016 3.118 -10.827 1.00 0.00 O ATOM 2072 CB ILE A 129 -1.630 0.207 -11.105 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -2.118 -1.237 -10.972 1.00 0.00 C ATOM 2074 CG2 ILE A 129 -0.164 0.245 -11.518 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -1.901 -2.069 -12.217 1.00 0.00 C ATOM 0 H ILE A 129 -3.863 0.462 -9.988 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.196 0.523 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 129 -2.215 0.698 -11.883 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.603 -1.710 -10.135 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.181 -1.231 -10.730 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.036 -0.296 -12.456 1.00 0.00 H new ATOM 0 HG22 ILE A 129 0.150 1.280 -11.650 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.444 -0.223 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.271 -3.080 -12.048 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -2.439 -1.621 -13.053 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.837 -2.106 -12.449 1.00 0.00 H new ATOM 2087 N GLY A 130 -0.506 2.899 -9.173 1.00 0.00 N ATOM 2088 CA GLY A 130 -0.070 4.279 -9.268 1.00 0.00 C ATOM 2089 C GLY A 130 -0.711 5.168 -8.217 1.00 0.00 C ATOM 2090 O GLY A 130 -0.394 6.354 -8.125 1.00 0.00 O ATOM 0 H GLY A 130 -0.029 2.348 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 130 1.014 4.322 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.309 4.664 -10.259 1.00 0.00 H new ATOM 2094 N ASP A 131 -1.615 4.598 -7.422 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.296 5.353 -6.375 1.00 0.00 C ATOM 2096 C ASP A 131 -1.294 5.948 -5.390 1.00 0.00 C ATOM 2097 O ASP A 131 -0.092 5.705 -5.489 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.289 4.451 -5.635 1.00 0.00 C ATOM 2099 CG ASP A 131 -4.721 4.922 -5.786 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -5.119 5.856 -5.056 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.447 4.359 -6.632 1.00 0.00 O ATOM 0 H ASP A 131 -1.891 3.618 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.840 6.172 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.203 3.433 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.029 4.421 -4.577 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.801 6.738 -4.465 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.953 7.389 -3.463 1.00 0.00 C ATOM 2108 C TYR A 132 -1.399 7.046 -2.045 1.00 0.00 C ATOM 2109 O TYR A 132 -2.393 7.578 -1.550 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.949 8.909 -3.661 1.00 0.00 C ATOM 2111 CG TYR A 132 -2.032 9.412 -4.594 1.00 0.00 C ATOM 2112 CD1 TYR A 132 -3.318 9.657 -4.128 1.00 0.00 C ATOM 2113 CD2 TYR A 132 -1.765 9.642 -5.937 1.00 0.00 C ATOM 2114 CE1 TYR A 132 -4.308 10.119 -4.977 1.00 0.00 C ATOM 2115 CE2 TYR A 132 -2.749 10.103 -6.791 1.00 0.00 C ATOM 2116 CZ TYR A 132 -4.017 10.340 -6.307 1.00 0.00 C ATOM 2117 OH TYR A 132 -5.001 10.800 -7.154 1.00 0.00 O ATOM 0 H TYR A 132 -2.795 6.950 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 132 0.061 7.013 -3.599 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.067 9.392 -2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.022 9.212 -4.052 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.548 9.484 -3.087 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -0.772 9.458 -6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -5.303 10.306 -4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.525 10.277 -7.833 1.00 0.00 H new ATOM 0 HH TYR A 132 -4.633 10.905 -8.056 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.648 6.160 -1.394 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.958 5.752 -0.030 1.00 0.00 C ATOM 2129 C LEU A 133 -0.041 6.469 0.956 1.00 0.00 C ATOM 2130 O LEU A 133 1.142 6.652 0.689 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.783 4.239 0.134 1.00 0.00 C ATOM 2132 CG LEU A 133 -1.947 3.366 -0.344 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.775 1.949 0.176 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -3.285 3.934 0.106 1.00 0.00 C ATOM 0 H LEU A 133 0.178 5.713 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.995 6.018 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.115 3.938 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -0.607 4.027 1.189 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.940 3.354 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.606 1.332 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.838 1.536 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.758 1.961 1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -4.091 3.292 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -3.312 3.982 1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.412 4.936 -0.305 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.589 6.862 2.095 1.00 0.00 N ATOM 2147 CA ASP A 134 0.191 7.548 3.120 1.00 0.00 C ATOM 2148 C ASP A 134 0.116 6.792 4.439 1.00 0.00 C ATOM 2149 O ASP A 134 -0.903 6.830 5.128 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.316 8.976 3.305 1.00 0.00 C ATOM 2151 CG ASP A 134 0.814 9.981 3.417 1.00 0.00 C ATOM 2152 OD1 ASP A 134 1.420 10.075 4.506 1.00 0.00 O ATOM 2153 OD2 ASP A 134 1.094 10.673 2.416 1.00 0.00 O ATOM 0 H ASP A 134 -1.570 6.719 2.335 1.00 0.00 H new ATOM 0 HA ASP A 134 1.231 7.584 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -0.955 9.244 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -0.933 9.026 4.202 1.00 0.00 H new ATOM 2158 N ILE A 135 1.195 6.101 4.780 1.00 0.00 N ATOM 2159 CA ILE A 135 1.243 5.331 6.014 1.00 0.00 C ATOM 2160 C ILE A 135 1.788 6.162 7.170 1.00 0.00 C ATOM 2161 O ILE A 135 2.810 6.835 7.045 1.00 0.00 O ATOM 2162 CB ILE A 135 2.100 4.057 5.846 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.449 3.110 4.831 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.294 3.353 7.184 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.222 2.985 3.537 1.00 0.00 C ATOM 0 H ILE A 135 2.047 6.058 4.221 1.00 0.00 H new ATOM 0 HA ILE A 135 0.218 5.040 6.245 1.00 0.00 H new ATOM 0 HB ILE A 135 3.081 4.350 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.348 2.122 5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.442 3.464 4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 135 2.901 2.459 7.040 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.797 4.025 7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.323 3.071 7.591 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.702 2.299 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.301 3.964 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.221 2.601 3.745 1.00 0.00 H new ATOM 2177 N ALA A 136 1.099 6.093 8.302 1.00 0.00 N ATOM 2178 CA ALA A 136 1.504 6.812 9.501 1.00 0.00 C ATOM 2179 C ALA A 136 2.097 5.831 10.505 1.00 0.00 C ATOM 2180 O ALA A 136 1.364 5.130 11.197 1.00 0.00 O ATOM 2181 CB ALA A 136 0.309 7.547 10.097 1.00 0.00 C ATOM 0 H ALA A 136 0.249 5.540 8.414 1.00 0.00 H new ATOM 0 HA ALA A 136 2.263 7.551 9.246 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.621 8.082 10.994 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.082 8.257 9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.468 6.828 10.356 1.00 0.00 H new ATOM 2187 N ILE A 137 3.425 5.785 10.586 1.00 0.00 N ATOM 2188 CA ILE A 137 4.098 4.871 11.505 1.00 0.00 C ATOM 2189 C ILE A 137 4.277 5.487 12.887 1.00 0.00 C ATOM 2190 O ILE A 137 4.844 6.570 13.032 1.00 0.00 O ATOM 2191 CB ILE A 137 5.473 4.432 10.967 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.370 4.040 9.491 1.00 0.00 C ATOM 2193 CG2 ILE A 137 6.018 3.276 11.790 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.675 3.554 8.900 1.00 0.00 C ATOM 0 H ILE A 137 4.053 6.366 10.030 1.00 0.00 H new ATOM 0 HA ILE A 137 3.453 3.996 11.589 1.00 0.00 H new ATOM 0 HB ILE A 137 6.163 5.271 11.051 1.00 0.00 H new ATOM 0 HG12 ILE A 137 4.619 3.258 9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 137 5.020 4.899 8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 137 6.990 2.977 11.398 1.00 0.00 H new ATOM 0 HG22 ILE A 137 6.126 3.588 12.829 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.329 2.433 11.734 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.525 3.294 7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.424 4.342 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.017 2.675 9.446 1.00 0.00 H new ATOM 2206 N THR A 138 3.793 4.778 13.902 1.00 0.00 N ATOM 2207 CA THR A 138 3.894 5.241 15.281 1.00 0.00 C ATOM 2208 C THR A 138 4.535 4.174 16.169 1.00 0.00 C ATOM 2209 O THR A 138 3.846 3.302 16.697 1.00 0.00 O ATOM 2210 CB THR A 138 2.509 5.596 15.820 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.685 6.111 14.787 1.00 0.00 O ATOM 2212 CG2 THR A 138 2.542 6.620 16.933 1.00 0.00 C ATOM 0 H THR A 138 3.326 3.878 13.794 1.00 0.00 H new ATOM 0 HA THR A 138 4.525 6.129 15.295 1.00 0.00 H new ATOM 0 HB THR A 138 2.108 4.664 16.219 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.802 6.331 15.152 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.526 6.826 17.269 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.128 6.233 17.767 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.996 7.541 16.567 1.00 0.00 H new ATOM 2220 N PRO A 139 5.867 4.229 16.347 1.00 0.00 N ATOM 2221 CA PRO A 139 6.590 3.260 17.179 1.00 0.00 C ATOM 2222 C PRO A 139 6.056 3.223 18.609 1.00 0.00 C ATOM 2223 O PRO A 139 5.535 4.220 19.111 1.00 0.00 O ATOM 2224 CB PRO A 139 8.035 3.767 17.159 1.00 0.00 C ATOM 2225 CG PRO A 139 8.130 4.621 15.943 1.00 0.00 C ATOM 2226 CD PRO A 139 6.770 5.234 15.760 1.00 0.00 C ATOM 0 HA PRO A 139 6.484 2.242 16.804 1.00 0.00 H new ATOM 0 HB2 PRO A 139 8.265 4.336 18.059 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.743 2.939 17.116 1.00 0.00 H new ATOM 0 HG2 PRO A 139 8.892 5.391 16.066 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.412 4.030 15.072 1.00 0.00 H new ATOM 0 HD2 PRO A 139 6.689 6.194 16.269 1.00 0.00 H new ATOM 0 HD3 PRO A 139 6.546 5.411 14.708 1.00 0.00 H new ATOM 2234 N PRO A 140 6.165 2.066 19.284 1.00 0.00 N ATOM 2235 CA PRO A 140 5.681 1.903 20.653 1.00 0.00 C ATOM 2236 C PRO A 140 6.659 2.433 21.699 1.00 0.00 C ATOM 2237 O PRO A 140 7.079 1.704 22.596 1.00 0.00 O ATOM 2238 CB PRO A 140 5.531 0.390 20.779 1.00 0.00 C ATOM 2239 CG PRO A 140 6.592 -0.164 19.890 1.00 0.00 C ATOM 2240 CD PRO A 140 6.760 0.820 18.760 1.00 0.00 C ATOM 0 HA PRO A 140 4.763 2.463 20.831 1.00 0.00 H new ATOM 0 HB2 PRO A 140 5.665 0.062 21.810 1.00 0.00 H new ATOM 0 HB3 PRO A 140 4.540 0.062 20.467 1.00 0.00 H new ATOM 0 HG2 PRO A 140 7.527 -0.292 20.435 1.00 0.00 H new ATOM 0 HG3 PRO A 140 6.307 -1.145 19.511 1.00 0.00 H new ATOM 0 HD2 PRO A 140 7.810 0.956 18.502 1.00 0.00 H new ATOM 0 HD3 PRO A 140 6.251 0.483 17.857 1.00 0.00 H new