USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 914 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 75 MET CE :methyl -176:sc= -2.27 (180deg=-0.877) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -2.24 K(o=-4.5,f=-5.1) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.05! C(o=-1!,f=-4.5!) USER MOD Single : A 34 THR OG1 : rot -45:sc= 0.9 USER MOD Single : A 41 SER OG : rot -140:sc= 1.27 USER MOD Single : A 45 THR OG1 : rot 150:sc= 1.05 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.012 USER MOD Single : A 49 MET CE :methyl 180:sc= -0.0219 (180deg=-0.0219) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 52 THR OG1 : rot 120:sc= 0.988 USER MOD Single : A 53 ASN : amide:sc= 1.93 K(o=1.9,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0.367 (180deg=0.195) USER MOD Single : A 55 SER OG : rot 71:sc= 0.774 USER MOD Single : A 57 GLN : amide:sc= 1.02 K(o=1,f=-0.056) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.13) USER MOD Single : A 66 THR OG1 : rot 86:sc= 1.04 USER MOD Single : A 70 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 71 SER OG : rot -52:sc= 0.372 USER MOD Single : A 73 MET CE :methyl 169:sc= -0.377 (180deg=-0.599) USER MOD Single : A 76 THR OG1 : rot 48:sc= 2.09 USER MOD Single : A 77 THR OG1 : rot -56:sc= 0.16 USER MOD Single : A 78 THR OG1 : rot 165:sc= -0.584 USER MOD Single : A 79 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.29) USER MOD Single : A 80 SER OG : rot 180:sc= 0.146 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 174:sc= 0 (180deg=-0.0883) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -172:sc=-0.00273 (180deg=-0.11) USER MOD Single : A 93 THR OG1 : rot -3:sc= 0.00352 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 65:sc= 0.687 USER MOD Single : A 103 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 110 MET CE :methyl 152:sc= 0 (180deg=-0.056) USER MOD Single : A 112 MET CE :methyl -173:sc= 0 (180deg=-0.0822) USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= 2.41 (180deg=1.86) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 125 ASN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 73:sc= 0.796 USER MOD Single : A 137 ASN : amide:sc= 0.353 K(o=0.35,f=-3.6!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 369 N VAL A 28 -6.154 2.278 -1.686 1.00 10.00 N ATOM 370 CA VAL A 28 -5.073 2.096 -2.652 1.00 10.00 C ATOM 371 C VAL A 28 -3.707 2.206 -1.968 1.00 10.00 C ATOM 372 O VAL A 28 -2.832 2.948 -2.414 1.00 10.00 O ATOM 373 CB VAL A 28 -5.225 3.140 -3.782 1.00 10.00 C ATOM 374 CG1 VAL A 28 -6.472 2.857 -4.623 1.00 10.00 C ATOM 375 CG2 VAL A 28 -5.302 4.594 -3.285 1.00 10.00 C ATOM 0 HA VAL A 28 -5.135 1.097 -3.084 1.00 10.00 H new ATOM 0 HB VAL A 28 -4.318 3.040 -4.379 1.00 10.00 H new ATOM 0 HG11 VAL A 28 -6.557 3.605 -5.411 1.00 10.00 H new ATOM 0 HG12 VAL A 28 -6.392 1.866 -5.070 1.00 10.00 H new ATOM 0 HG13 VAL A 28 -7.357 2.898 -3.987 1.00 10.00 H new ATOM 0 HG21 VAL A 28 -5.408 5.265 -4.138 1.00 10.00 H new ATOM 0 HG22 VAL A 28 -6.162 4.708 -2.625 1.00 10.00 H new ATOM 0 HG23 VAL A 28 -4.391 4.841 -2.740 1.00 10.00 H new ATOM 385 N THR A 29 -3.503 1.417 -0.914 1.00 10.00 N ATOM 386 CA THR A 29 -2.322 1.499 -0.073 1.00 10.00 C ATOM 387 C THR A 29 -2.089 0.164 0.643 1.00 10.00 C ATOM 388 O THR A 29 -1.856 0.124 1.853 1.00 10.00 O ATOM 389 CB THR A 29 -2.505 2.652 0.936 1.00 10.00 C ATOM 390 OG1 THR A 29 -3.796 2.598 1.518 1.00 10.00 O ATOM 391 CG2 THR A 29 -2.312 4.048 0.334 1.00 10.00 C ATOM 0 H THR A 29 -4.164 0.697 -0.622 1.00 10.00 H new ATOM 0 HA THR A 29 -1.443 1.702 -0.684 1.00 10.00 H new ATOM 0 HB THR A 29 -1.724 2.505 1.682 1.00 10.00 H new ATOM 0 HG1 THR A 29 -3.898 3.334 2.157 1.00 10.00 H new ATOM 0 HG21 THR A 29 -2.458 4.801 1.108 1.00 10.00 H new ATOM 0 HG22 THR A 29 -1.303 4.134 -0.070 1.00 10.00 H new ATOM 0 HG23 THR A 29 -3.037 4.203 -0.465 1.00 10.00 H new ATOM 399 N VAL A 30 -2.034 -0.928 -0.127 1.00 10.00 N ATOM 400 CA VAL A 30 -1.520 -2.207 0.346 1.00 10.00 C ATOM 401 C VAL A 30 -0.099 -2.353 -0.205 1.00 10.00 C ATOM 402 O VAL A 30 0.146 -2.975 -1.239 1.00 10.00 O ATOM 403 CB VAL A 30 -2.514 -3.360 0.097 1.00 10.00 C ATOM 404 CG1 VAL A 30 -2.873 -3.623 -1.366 1.00 10.00 C ATOM 405 CG2 VAL A 30 -2.011 -4.661 0.736 1.00 10.00 C ATOM 0 H VAL A 30 -2.347 -0.944 -1.098 1.00 10.00 H new ATOM 0 HA VAL A 30 -1.431 -2.252 1.431 1.00 10.00 H new ATOM 0 HB VAL A 30 -3.435 -3.020 0.570 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -3.577 -4.453 -1.424 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -3.328 -2.730 -1.795 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -1.970 -3.873 -1.923 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -2.728 -5.460 0.547 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -1.047 -4.929 0.304 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -1.900 -4.519 1.811 1.00 10.00 H new ATOM 415 N GLN A 31 0.818 -1.690 0.502 1.00 10.00 N ATOM 416 CA GLN A 31 2.253 -1.635 0.286 1.00 10.00 C ATOM 417 C GLN A 31 2.953 -2.089 1.570 1.00 10.00 C ATOM 418 O GLN A 31 2.586 -1.634 2.655 1.00 10.00 O ATOM 419 CB GLN A 31 2.677 -0.211 -0.134 1.00 10.00 C ATOM 420 CG GLN A 31 2.689 0.886 0.946 1.00 10.00 C ATOM 421 CD GLN A 31 1.290 1.213 1.451 1.00 10.00 C ATOM 422 OE1 GLN A 31 0.607 2.059 0.885 1.00 10.00 O ATOM 423 NE2 GLN A 31 0.834 0.521 2.489 1.00 10.00 N ATOM 0 H GLN A 31 0.544 -1.131 1.310 1.00 10.00 H new ATOM 0 HA GLN A 31 2.544 -2.302 -0.525 1.00 10.00 H new ATOM 0 HB2 GLN A 31 3.679 -0.272 -0.559 1.00 10.00 H new ATOM 0 HB3 GLN A 31 2.011 0.114 -0.933 1.00 10.00 H new ATOM 0 HG2 GLN A 31 3.309 0.563 1.782 1.00 10.00 H new ATOM 0 HG3 GLN A 31 3.147 1.788 0.540 1.00 10.00 H new ATOM 0 HE21 GLN A 31 1.428 -0.176 2.938 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -0.110 0.687 2.837 1.00 10.00 H new ATOM 432 N GLY A 32 3.943 -2.977 1.453 1.00 10.00 N ATOM 433 CA GLY A 32 4.729 -3.479 2.572 1.00 10.00 C ATOM 434 C GLY A 32 6.108 -2.829 2.550 1.00 10.00 C ATOM 435 O GLY A 32 6.979 -3.273 1.805 1.00 10.00 O ATOM 0 H GLY A 32 4.223 -3.373 0.556 1.00 10.00 H new ATOM 0 HA2 GLY A 32 4.225 -3.259 3.513 1.00 10.00 H new ATOM 0 HA3 GLY A 32 4.824 -4.563 2.507 1.00 10.00 H new ATOM 439 N ALA A 33 6.306 -1.766 3.334 1.00 10.00 N ATOM 440 CA ALA A 33 7.565 -1.037 3.343 1.00 10.00 C ATOM 441 C ALA A 33 8.708 -1.877 3.910 1.00 10.00 C ATOM 442 O ALA A 33 8.702 -2.249 5.085 1.00 10.00 O ATOM 443 CB ALA A 33 7.421 0.298 4.073 1.00 10.00 C ATOM 0 H ALA A 33 5.603 -1.394 3.972 1.00 10.00 H new ATOM 0 HA ALA A 33 7.825 -0.819 2.307 1.00 10.00 H new ATOM 0 HB1 ALA A 33 8.377 0.822 4.065 1.00 10.00 H new ATOM 0 HB2 ALA A 33 6.669 0.907 3.572 1.00 10.00 H new ATOM 0 HB3 ALA A 33 7.115 0.118 5.104 1.00 10.00 H new ATOM 449 N THR A 34 9.716 -2.128 3.077 1.00 10.00 N ATOM 450 CA THR A 34 11.012 -2.600 3.525 1.00 10.00 C ATOM 451 C THR A 34 12.037 -1.528 3.189 1.00 10.00 C ATOM 452 O THR A 34 11.834 -0.819 2.206 1.00 10.00 O ATOM 453 CB THR A 34 11.356 -3.927 2.850 1.00 10.00 C ATOM 454 OG1 THR A 34 11.451 -3.817 1.450 1.00 10.00 O ATOM 455 CG2 THR A 34 10.288 -4.971 3.174 1.00 10.00 C ATOM 0 H THR A 34 9.650 -2.007 2.066 1.00 10.00 H new ATOM 0 HA THR A 34 11.006 -2.779 4.600 1.00 10.00 H new ATOM 0 HB THR A 34 12.330 -4.227 3.238 1.00 10.00 H new ATOM 0 HG1 THR A 34 10.695 -3.294 1.111 1.00 10.00 H new ATOM 0 HG21 THR A 34 10.541 -5.914 2.689 1.00 10.00 H new ATOM 0 HG22 THR A 34 10.240 -5.120 4.253 1.00 10.00 H new ATOM 0 HG23 THR A 34 9.320 -4.625 2.812 1.00 10.00 H new ATOM 463 N VAL A 35 13.106 -1.404 3.981 1.00 10.00 N ATOM 464 CA VAL A 35 14.229 -0.520 3.690 1.00 10.00 C ATOM 465 C VAL A 35 15.518 -1.327 3.778 1.00 10.00 C ATOM 466 O VAL A 35 15.636 -2.207 4.629 1.00 10.00 O ATOM 467 CB VAL A 35 14.243 0.687 4.643 1.00 10.00 C ATOM 468 CG1 VAL A 35 15.360 1.658 4.238 1.00 10.00 C ATOM 469 CG2 VAL A 35 12.904 1.433 4.613 1.00 10.00 C ATOM 0 H VAL A 35 13.213 -1.923 4.852 1.00 10.00 H new ATOM 0 HA VAL A 35 14.131 -0.117 2.682 1.00 10.00 H new ATOM 0 HB VAL A 35 14.416 0.313 5.652 1.00 10.00 H new ATOM 0 HG11 VAL A 35 15.365 2.511 4.917 1.00 10.00 H new ATOM 0 HG12 VAL A 35 16.322 1.148 4.290 1.00 10.00 H new ATOM 0 HG13 VAL A 35 15.188 2.006 3.219 1.00 10.00 H new ATOM 0 HG21 VAL A 35 12.945 2.281 5.297 1.00 10.00 H new ATOM 0 HG22 VAL A 35 12.709 1.791 3.602 1.00 10.00 H new ATOM 0 HG23 VAL A 35 12.105 0.758 4.919 1.00 10.00 H new ATOM 479 N ALA A 36 16.482 -1.056 2.895 1.00 10.00 N ATOM 480 CA ALA A 36 17.721 -1.801 2.887 1.00 10.00 C ATOM 481 C ALA A 36 18.599 -1.420 4.081 1.00 10.00 C ATOM 482 O ALA A 36 19.003 -0.269 4.249 1.00 10.00 O ATOM 483 CB ALA A 36 18.439 -1.676 1.544 1.00 10.00 C ATOM 0 H ALA A 36 16.419 -0.328 2.184 1.00 10.00 H new ATOM 0 HA ALA A 36 17.488 -2.859 3.003 1.00 10.00 H new ATOM 0 HB1 ALA A 36 19.366 -2.248 1.573 1.00 10.00 H new ATOM 0 HB2 ALA A 36 17.798 -2.063 0.752 1.00 10.00 H new ATOM 0 HB3 ALA A 36 18.665 -0.628 1.348 1.00 10.00 H new ATOM 489 N ALA A 37 18.883 -2.421 4.909 1.00 10.00 N ATOM 490 CA ALA A 37 19.775 -2.349 6.058 1.00 10.00 C ATOM 491 C ALA A 37 21.209 -2.057 5.615 1.00 10.00 C ATOM 492 O ALA A 37 21.992 -2.985 5.431 1.00 10.00 O ATOM 493 CB ALA A 37 19.718 -3.672 6.829 1.00 10.00 C ATOM 0 H ALA A 37 18.477 -3.349 4.790 1.00 10.00 H new ATOM 0 HA ALA A 37 19.450 -1.535 6.707 1.00 10.00 H new ATOM 0 HB1 ALA A 37 20.385 -3.621 7.690 1.00 10.00 H new ATOM 0 HB2 ALA A 37 18.698 -3.851 7.170 1.00 10.00 H new ATOM 0 HB3 ALA A 37 20.030 -4.487 6.176 1.00 10.00 H new ATOM 499 N VAL A 38 21.534 -0.772 5.457 1.00 10.00 N ATOM 500 CA VAL A 38 22.863 -0.262 5.124 1.00 10.00 C ATOM 501 C VAL A 38 23.502 -1.078 3.980 1.00 10.00 C ATOM 502 O VAL A 38 24.394 -1.895 4.208 1.00 10.00 O ATOM 503 CB VAL A 38 23.735 -0.177 6.392 1.00 10.00 C ATOM 504 CG1 VAL A 38 25.026 0.597 6.094 1.00 10.00 C ATOM 505 CG2 VAL A 38 22.999 0.563 7.520 1.00 10.00 C ATOM 0 H VAL A 38 20.846 -0.026 5.563 1.00 10.00 H new ATOM 0 HA VAL A 38 22.776 0.755 4.741 1.00 10.00 H new ATOM 0 HB VAL A 38 23.958 -1.198 6.702 1.00 10.00 H new ATOM 0 HG11 VAL A 38 25.634 0.651 6.997 1.00 10.00 H new ATOM 0 HG12 VAL A 38 25.584 0.085 5.310 1.00 10.00 H new ATOM 0 HG13 VAL A 38 24.778 1.605 5.763 1.00 10.00 H new ATOM 0 HG21 VAL A 38 23.637 0.608 8.402 1.00 10.00 H new ATOM 0 HG22 VAL A 38 22.758 1.575 7.194 1.00 10.00 H new ATOM 0 HG23 VAL A 38 22.079 0.031 7.764 1.00 10.00 H new ATOM 515 N PRO A 39 23.037 -0.876 2.738 1.00 10.00 N ATOM 516 CA PRO A 39 23.508 -1.617 1.579 1.00 10.00 C ATOM 517 C PRO A 39 24.917 -1.147 1.191 1.00 10.00 C ATOM 518 O PRO A 39 25.394 -0.149 1.740 1.00 10.00 O ATOM 519 CB PRO A 39 22.459 -1.341 0.495 1.00 10.00 C ATOM 520 CG PRO A 39 21.864 0.018 0.857 1.00 10.00 C ATOM 521 CD PRO A 39 22.106 0.170 2.357 1.00 10.00 C ATOM 0 HA PRO A 39 23.605 -2.688 1.754 1.00 10.00 H new ATOM 0 HB2 PRO A 39 22.912 -1.322 -0.496 1.00 10.00 H new ATOM 0 HB3 PRO A 39 21.693 -2.116 0.481 1.00 10.00 H new ATOM 0 HG2 PRO A 39 22.344 0.821 0.297 1.00 10.00 H new ATOM 0 HG3 PRO A 39 20.800 0.058 0.623 1.00 10.00 H new ATOM 0 HD2 PRO A 39 22.515 1.154 2.585 1.00 10.00 H new ATOM 0 HD3 PRO A 39 21.172 0.077 2.911 1.00 10.00 H new ATOM 529 N PRO A 40 25.600 -1.852 0.266 1.00 10.00 N ATOM 530 CA PRO A 40 26.963 -1.537 -0.152 1.00 10.00 C ATOM 531 C PRO A 40 27.055 -0.194 -0.889 1.00 10.00 C ATOM 532 O PRO A 40 27.189 -0.117 -2.108 1.00 10.00 O ATOM 533 CB PRO A 40 27.435 -2.727 -0.990 1.00 10.00 C ATOM 534 CG PRO A 40 26.132 -3.308 -1.530 1.00 10.00 C ATOM 535 CD PRO A 40 25.168 -3.093 -0.363 1.00 10.00 C ATOM 0 HA PRO A 40 27.618 -1.400 0.708 1.00 10.00 H new ATOM 0 HB2 PRO A 40 28.101 -2.415 -1.794 1.00 10.00 H new ATOM 0 HB3 PRO A 40 27.981 -3.453 -0.388 1.00 10.00 H new ATOM 0 HG2 PRO A 40 25.800 -2.793 -2.431 1.00 10.00 H new ATOM 0 HG3 PRO A 40 26.232 -4.363 -1.785 1.00 10.00 H new ATOM 0 HD2 PRO A 40 24.138 -3.020 -0.712 1.00 10.00 H new ATOM 0 HD3 PRO A 40 25.208 -3.925 0.340 1.00 10.00 H new ATOM 543 N SER A 41 27.020 0.858 -0.081 1.00 10.00 N ATOM 544 CA SER A 41 27.354 2.244 -0.358 1.00 10.00 C ATOM 545 C SER A 41 27.691 2.875 0.994 1.00 10.00 C ATOM 546 O SER A 41 28.734 3.504 1.138 1.00 10.00 O ATOM 547 CB SER A 41 26.199 2.990 -1.056 1.00 10.00 C ATOM 548 OG SER A 41 26.664 4.229 -1.568 1.00 10.00 O ATOM 0 H SER A 41 26.724 0.745 0.889 1.00 10.00 H new ATOM 0 HA SER A 41 28.195 2.308 -1.048 1.00 10.00 H new ATOM 0 HB2 SER A 41 25.797 2.380 -1.865 1.00 10.00 H new ATOM 0 HB3 SER A 41 25.386 3.160 -0.351 1.00 10.00 H new ATOM 0 HG SER A 41 25.985 4.920 -1.420 1.00 10.00 H new ATOM 554 N ILE A 42 26.806 2.661 1.987 1.00 10.00 N ATOM 555 CA ILE A 42 26.700 3.443 3.213 1.00 10.00 C ATOM 556 C ILE A 42 26.210 4.840 2.825 1.00 10.00 C ATOM 557 O ILE A 42 26.235 5.189 1.648 1.00 10.00 O ATOM 558 CB ILE A 42 28.005 3.401 4.042 1.00 10.00 C ATOM 559 CG1 ILE A 42 27.792 2.925 5.491 1.00 10.00 C ATOM 560 CG2 ILE A 42 28.810 4.709 4.017 1.00 10.00 C ATOM 561 CD1 ILE A 42 26.868 3.797 6.351 1.00 10.00 C ATOM 0 H ILE A 42 26.122 1.905 1.946 1.00 10.00 H new ATOM 0 HA ILE A 42 25.968 3.014 3.898 1.00 10.00 H new ATOM 0 HB ILE A 42 28.608 2.651 3.530 1.00 10.00 H new ATOM 0 HG12 ILE A 42 27.386 1.914 5.465 1.00 10.00 H new ATOM 0 HG13 ILE A 42 28.764 2.866 5.981 1.00 10.00 H new ATOM 0 HG21 ILE A 42 29.709 4.595 4.623 1.00 10.00 H new ATOM 0 HG22 ILE A 42 29.091 4.943 2.990 1.00 10.00 H new ATOM 0 HG23 ILE A 42 28.202 5.518 4.420 1.00 10.00 H new ATOM 0 HD11 ILE A 42 26.790 3.369 7.350 1.00 10.00 H new ATOM 0 HD12 ILE A 42 27.278 4.805 6.419 1.00 10.00 H new ATOM 0 HD13 ILE A 42 25.879 3.838 5.896 1.00 10.00 H new ATOM 573 N ARG A 43 25.693 5.625 3.775 1.00 10.00 N ATOM 574 CA ARG A 43 25.134 6.943 3.562 1.00 10.00 C ATOM 575 C ARG A 43 23.775 6.880 2.858 1.00 10.00 C ATOM 576 O ARG A 43 22.821 7.485 3.334 1.00 10.00 O ATOM 577 CB ARG A 43 26.137 7.842 2.841 1.00 10.00 C ATOM 578 CG ARG A 43 25.688 9.299 2.906 1.00 10.00 C ATOM 579 CD ARG A 43 25.606 9.809 1.467 1.00 10.00 C ATOM 580 NE ARG A 43 25.324 11.242 1.370 1.00 10.00 N ATOM 581 CZ ARG A 43 25.083 11.843 0.194 1.00 10.00 C ATOM 582 NH1 ARG A 43 24.859 11.104 -0.904 1.00 10.00 N ATOM 583 NH2 ARG A 43 25.085 13.182 0.131 1.00 10.00 N ATOM 0 H ARG A 43 25.656 5.337 4.753 1.00 10.00 H new ATOM 0 HA ARG A 43 24.941 7.394 4.535 1.00 10.00 H new ATOM 0 HB2 ARG A 43 27.122 7.738 3.297 1.00 10.00 H new ATOM 0 HB3 ARG A 43 26.232 7.530 1.801 1.00 10.00 H new ATOM 0 HG2 ARG A 43 24.720 9.382 3.400 1.00 10.00 H new ATOM 0 HG3 ARG A 43 26.394 9.894 3.486 1.00 10.00 H new ATOM 0 HD2 ARG A 43 26.548 9.597 0.961 1.00 10.00 H new ATOM 0 HD3 ARG A 43 24.829 9.257 0.938 1.00 10.00 H new ATOM 0 HE ARG A 43 25.310 11.802 2.223 1.00 10.00 H new ATOM 0 HH11 ARG A 43 24.872 10.086 -0.845 1.00 10.00 H new ATOM 0 HH12 ARG A 43 24.676 11.561 -1.797 1.00 10.00 H new ATOM 0 HH21 ARG A 43 25.268 13.732 0.970 1.00 10.00 H new ATOM 0 HH22 ARG A 43 24.903 13.651 -0.756 1.00 10.00 H new ATOM 597 N ASP A 44 23.682 6.150 1.753 1.00 10.00 N ATOM 598 CA ASP A 44 22.500 6.011 0.917 1.00 10.00 C ATOM 599 C ASP A 44 21.738 4.735 1.306 1.00 10.00 C ATOM 600 O ASP A 44 22.337 3.782 1.801 1.00 10.00 O ATOM 601 CB ASP A 44 22.913 5.948 -0.564 1.00 10.00 C ATOM 602 CG ASP A 44 24.021 6.927 -0.958 1.00 10.00 C ATOM 603 OD1 ASP A 44 23.817 8.164 -0.854 1.00 10.00 O ATOM 604 OD2 ASP A 44 25.081 6.396 -1.353 1.00 10.00 O ATOM 0 H ASP A 44 24.472 5.611 1.399 1.00 10.00 H new ATOM 0 HA ASP A 44 21.850 6.873 1.066 1.00 10.00 H new ATOM 0 HB2 ASP A 44 23.243 4.935 -0.793 1.00 10.00 H new ATOM 0 HB3 ASP A 44 22.036 6.145 -1.181 1.00 10.00 H new ATOM 609 N THR A 45 20.431 4.689 1.031 1.00 10.00 N ATOM 610 CA THR A 45 19.636 3.462 0.993 1.00 10.00 C ATOM 611 C THR A 45 18.319 3.772 0.275 1.00 10.00 C ATOM 612 O THR A 45 18.131 4.893 -0.203 1.00 10.00 O ATOM 613 CB THR A 45 19.435 2.833 2.388 1.00 10.00 C ATOM 614 OG1 THR A 45 18.747 1.606 2.259 1.00 10.00 O ATOM 615 CG2 THR A 45 18.644 3.713 3.353 1.00 10.00 C ATOM 0 H THR A 45 19.885 5.525 0.824 1.00 10.00 H new ATOM 0 HA THR A 45 20.176 2.696 0.436 1.00 10.00 H new ATOM 0 HB THR A 45 20.434 2.701 2.803 1.00 10.00 H new ATOM 0 HG1 THR A 45 19.021 1.000 2.979 1.00 10.00 H new ATOM 0 HG21 THR A 45 18.544 3.204 4.311 1.00 10.00 H new ATOM 0 HG22 THR A 45 19.168 4.658 3.497 1.00 10.00 H new ATOM 0 HG23 THR A 45 17.654 3.907 2.940 1.00 10.00 H new ATOM 623 N ALA A 46 17.413 2.795 0.191 1.00 10.00 N ATOM 624 CA ALA A 46 16.142 2.912 -0.493 1.00 10.00 C ATOM 625 C ALA A 46 15.111 1.972 0.120 1.00 10.00 C ATOM 626 O ALA A 46 15.485 0.952 0.708 1.00 10.00 O ATOM 627 CB ALA A 46 16.331 2.637 -1.986 1.00 10.00 C ATOM 0 H ALA A 46 17.557 1.877 0.612 1.00 10.00 H new ATOM 0 HA ALA A 46 15.766 3.928 -0.376 1.00 10.00 H new ATOM 0 HB1 ALA A 46 15.372 2.726 -2.497 1.00 10.00 H new ATOM 0 HB2 ALA A 46 17.033 3.359 -2.403 1.00 10.00 H new ATOM 0 HB3 ALA A 46 16.723 1.629 -2.124 1.00 10.00 H new ATOM 633 N ALA A 47 13.827 2.333 -0.015 1.00 10.00 N ATOM 634 CA ALA A 47 12.722 1.452 0.337 1.00 10.00 C ATOM 635 C ALA A 47 12.318 0.601 -0.860 1.00 10.00 C ATOM 636 O ALA A 47 12.432 1.062 -1.997 1.00 10.00 O ATOM 637 CB ALA A 47 11.511 2.223 0.864 1.00 10.00 C ATOM 0 H ALA A 47 13.534 3.243 -0.371 1.00 10.00 H new ATOM 0 HA ALA A 47 13.073 0.804 1.140 1.00 10.00 H new ATOM 0 HB1 ALA A 47 10.714 1.523 1.113 1.00 10.00 H new ATOM 0 HB2 ALA A 47 11.795 2.781 1.756 1.00 10.00 H new ATOM 0 HB3 ALA A 47 11.160 2.916 0.099 1.00 10.00 H new ATOM 643 N TYR A 48 11.811 -0.609 -0.598 1.00 10.00 N ATOM 644 CA TYR A 48 11.254 -1.509 -1.589 1.00 10.00 C ATOM 645 C TYR A 48 9.855 -1.816 -1.074 1.00 10.00 C ATOM 646 O TYR A 48 9.698 -2.182 0.096 1.00 10.00 O ATOM 647 CB TYR A 48 12.091 -2.790 -1.761 1.00 10.00 C ATOM 648 CG TYR A 48 13.594 -2.601 -1.847 1.00 10.00 C ATOM 649 CD1 TYR A 48 14.130 -1.515 -2.558 1.00 10.00 C ATOM 650 CD2 TYR A 48 14.463 -3.488 -1.180 1.00 10.00 C ATOM 651 CE1 TYR A 48 15.494 -1.216 -2.448 1.00 10.00 C ATOM 652 CE2 TYR A 48 15.852 -3.263 -1.193 1.00 10.00 C ATOM 653 CZ TYR A 48 16.365 -2.109 -1.809 1.00 10.00 C ATOM 654 OH TYR A 48 17.698 -1.835 -1.772 1.00 10.00 O ATOM 0 H TYR A 48 11.781 -0.993 0.346 1.00 10.00 H new ATOM 0 HA TYR A 48 11.245 -1.059 -2.582 1.00 10.00 H new ATOM 0 HB2 TYR A 48 11.876 -3.454 -0.924 1.00 10.00 H new ATOM 0 HB3 TYR A 48 11.757 -3.299 -2.665 1.00 10.00 H new ATOM 0 HD1 TYR A 48 13.492 -0.912 -3.188 1.00 10.00 H new ATOM 0 HD2 TYR A 48 14.061 -4.343 -0.657 1.00 10.00 H new ATOM 0 HE1 TYR A 48 15.876 -0.293 -2.858 1.00 10.00 H new ATOM 0 HE2 TYR A 48 16.521 -3.974 -0.731 1.00 10.00 H new ATOM 0 HH TYR A 48 17.833 -0.864 -1.774 1.00 10.00 H new ATOM 664 N MET A 49 8.852 -1.549 -1.904 1.00 10.00 N ATOM 665 CA MET A 49 7.445 -1.720 -1.598 1.00 10.00 C ATOM 666 C MET A 49 6.689 -1.774 -2.915 1.00 10.00 C ATOM 667 O MET A 49 7.296 -1.868 -3.978 1.00 10.00 O ATOM 668 CB MET A 49 6.929 -0.660 -0.616 1.00 10.00 C ATOM 669 CG MET A 49 6.965 0.792 -1.095 1.00 10.00 C ATOM 670 SD MET A 49 6.337 1.934 0.167 1.00 10.00 S ATOM 671 CE MET A 49 6.572 3.526 -0.649 1.00 10.00 C ATOM 0 H MET A 49 9.009 -1.193 -2.847 1.00 10.00 H new ATOM 0 HA MET A 49 7.279 -2.658 -1.067 1.00 10.00 H new ATOM 0 HB2 MET A 49 5.900 -0.908 -0.357 1.00 10.00 H new ATOM 0 HB3 MET A 49 7.514 -0.731 0.301 1.00 10.00 H new ATOM 0 HG2 MET A 49 7.988 1.064 -1.354 1.00 10.00 H new ATOM 0 HG3 MET A 49 6.369 0.890 -2.003 1.00 10.00 H new ATOM 0 HE1 MET A 49 6.230 4.326 0.008 1.00 10.00 H new ATOM 0 HE2 MET A 49 7.629 3.668 -0.873 1.00 10.00 H new ATOM 0 HE3 MET A 49 5.999 3.548 -1.576 1.00 10.00 H new ATOM 681 N THR A 50 5.364 -1.773 -2.873 1.00 10.00 N ATOM 682 CA THR A 50 4.543 -1.755 -4.066 1.00 10.00 C ATOM 683 C THR A 50 3.283 -0.928 -3.809 1.00 10.00 C ATOM 684 O THR A 50 2.522 -1.257 -2.904 1.00 10.00 O ATOM 685 CB THR A 50 4.238 -3.209 -4.438 1.00 10.00 C ATOM 686 OG1 THR A 50 5.442 -3.884 -4.754 1.00 10.00 O ATOM 687 CG2 THR A 50 3.299 -3.283 -5.632 1.00 10.00 C ATOM 0 H THR A 50 4.830 -1.785 -2.004 1.00 10.00 H new ATOM 0 HA THR A 50 5.054 -1.283 -4.905 1.00 10.00 H new ATOM 0 HB THR A 50 3.755 -3.683 -3.583 1.00 10.00 H new ATOM 0 HG1 THR A 50 5.243 -4.814 -4.990 1.00 10.00 H new ATOM 0 HG21 THR A 50 3.100 -4.327 -5.874 1.00 10.00 H new ATOM 0 HG22 THR A 50 2.362 -2.781 -5.390 1.00 10.00 H new ATOM 0 HG23 THR A 50 3.761 -2.794 -6.489 1.00 10.00 H new ATOM 695 N LEU A 51 3.038 0.117 -4.609 1.00 10.00 N ATOM 696 CA LEU A 51 1.768 0.826 -4.589 1.00 10.00 C ATOM 697 C LEU A 51 0.810 0.009 -5.435 1.00 10.00 C ATOM 698 O LEU A 51 0.852 0.035 -6.664 1.00 10.00 O ATOM 699 CB LEU A 51 1.860 2.235 -5.175 1.00 10.00 C ATOM 700 CG LEU A 51 2.189 3.321 -4.141 1.00 10.00 C ATOM 701 CD1 LEU A 51 3.443 3.002 -3.318 1.00 10.00 C ATOM 702 CD2 LEU A 51 2.368 4.665 -4.851 1.00 10.00 C ATOM 0 H LEU A 51 3.712 0.486 -5.280 1.00 10.00 H new ATOM 0 HA LEU A 51 1.441 0.939 -3.555 1.00 10.00 H new ATOM 0 HB2 LEU A 51 2.624 2.245 -5.953 1.00 10.00 H new ATOM 0 HB3 LEU A 51 0.913 2.480 -5.655 1.00 10.00 H new ATOM 0 HG LEU A 51 1.353 3.364 -3.443 1.00 10.00 H new ATOM 0 HD11 LEU A 51 3.624 3.806 -2.605 1.00 10.00 H new ATOM 0 HD12 LEU A 51 3.297 2.065 -2.780 1.00 10.00 H new ATOM 0 HD13 LEU A 51 4.301 2.908 -3.984 1.00 10.00 H new ATOM 0 HD21 LEU A 51 2.602 5.436 -4.117 1.00 10.00 H new ATOM 0 HD22 LEU A 51 3.183 4.591 -5.571 1.00 10.00 H new ATOM 0 HD23 LEU A 51 1.447 4.927 -5.372 1.00 10.00 H new ATOM 714 N THR A 52 -0.044 -0.708 -4.726 1.00 10.00 N ATOM 715 CA THR A 52 -1.061 -1.581 -5.265 1.00 10.00 C ATOM 716 C THR A 52 -2.335 -0.748 -5.383 1.00 10.00 C ATOM 717 O THR A 52 -3.067 -0.603 -4.403 1.00 10.00 O ATOM 718 CB THR A 52 -1.215 -2.757 -4.292 1.00 10.00 C ATOM 719 OG1 THR A 52 0.048 -3.334 -4.021 1.00 10.00 O ATOM 720 CG2 THR A 52 -2.148 -3.833 -4.856 1.00 10.00 C ATOM 0 H THR A 52 -0.043 -0.693 -3.706 1.00 10.00 H new ATOM 0 HA THR A 52 -0.817 -1.986 -6.247 1.00 10.00 H new ATOM 0 HB THR A 52 -1.651 -2.367 -3.372 1.00 10.00 H new ATOM 0 HG1 THR A 52 0.232 -3.281 -3.060 1.00 10.00 H new ATOM 0 HG21 THR A 52 -2.234 -4.651 -4.141 1.00 10.00 H new ATOM 0 HG22 THR A 52 -3.133 -3.403 -5.036 1.00 10.00 H new ATOM 0 HG23 THR A 52 -1.741 -4.212 -5.794 1.00 10.00 H new ATOM 728 N ASN A 53 -2.598 -0.155 -6.553 1.00 10.00 N ATOM 729 CA ASN A 53 -3.641 0.856 -6.666 1.00 10.00 C ATOM 730 C ASN A 53 -5.009 0.195 -6.834 1.00 10.00 C ATOM 731 O ASN A 53 -5.731 0.470 -7.792 1.00 10.00 O ATOM 732 CB ASN A 53 -3.314 1.745 -7.868 1.00 10.00 C ATOM 733 CG ASN A 53 -4.228 2.952 -7.949 1.00 10.00 C ATOM 734 OD1 ASN A 53 -5.158 2.996 -8.751 1.00 10.00 O ATOM 735 ND2 ASN A 53 -3.953 3.946 -7.116 1.00 10.00 N ATOM 0 H ASN A 53 -2.106 -0.358 -7.423 1.00 10.00 H new ATOM 0 HA ASN A 53 -3.679 1.460 -5.760 1.00 10.00 H new ATOM 0 HB2 ASN A 53 -2.278 2.079 -7.801 1.00 10.00 H new ATOM 0 HB3 ASN A 53 -3.402 1.162 -8.785 1.00 10.00 H new ATOM 0 HD21 ASN A 53 -4.524 4.791 -7.124 1.00 10.00 H new ATOM 0 HD22 ASN A 53 -3.170 3.866 -6.467 1.00 10.00 H new ATOM 742 N LYS A 54 -5.387 -0.677 -5.897 1.00 10.00 N ATOM 743 CA LYS A 54 -6.543 -1.525 -6.083 1.00 10.00 C ATOM 744 C LYS A 54 -7.776 -0.837 -5.510 1.00 10.00 C ATOM 745 O LYS A 54 -7.882 -0.615 -4.309 1.00 10.00 O ATOM 746 CB LYS A 54 -6.312 -2.987 -5.644 1.00 10.00 C ATOM 747 CG LYS A 54 -7.444 -3.944 -6.056 1.00 10.00 C ATOM 748 CD LYS A 54 -7.773 -3.615 -7.514 1.00 10.00 C ATOM 749 CE LYS A 54 -8.651 -4.513 -8.353 1.00 10.00 C ATOM 750 NZ LYS A 54 -8.965 -3.795 -9.620 1.00 10.00 N ATOM 0 H LYS A 54 -4.904 -0.807 -5.008 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.732 -1.648 -7.149 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -5.375 -3.342 -6.073 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.199 -3.018 -4.560 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -7.132 -4.983 -5.952 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.319 -3.809 -5.420 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.236 -2.628 -7.518 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -6.822 -3.523 -8.039 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -8.143 -5.454 -8.564 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -9.568 -4.759 -7.817 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -9.688 -4.323 -10.148 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -9.323 -2.843 -9.400 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -8.103 -3.716 -10.197 1.00 10.00 H new ATOM 764 N SER A 55 -8.648 -0.452 -6.438 1.00 10.00 N ATOM 765 CA SER A 55 -9.785 0.456 -6.378 1.00 10.00 C ATOM 766 C SER A 55 -9.681 1.381 -7.591 1.00 10.00 C ATOM 767 O SER A 55 -10.684 1.949 -8.014 1.00 10.00 O ATOM 768 CB SER A 55 -9.894 1.257 -5.083 1.00 10.00 C ATOM 769 OG SER A 55 -10.370 0.434 -4.038 1.00 10.00 O ATOM 0 H SER A 55 -8.557 -0.825 -7.383 1.00 10.00 H new ATOM 0 HA SER A 55 -10.698 -0.139 -6.394 1.00 10.00 H new ATOM 0 HB2 SER A 55 -8.920 1.667 -4.818 1.00 10.00 H new ATOM 0 HB3 SER A 55 -10.567 2.102 -5.225 1.00 10.00 H new ATOM 0 HG SER A 55 -9.673 -0.205 -3.782 1.00 10.00 H new ATOM 775 N ASP A 56 -8.478 1.480 -8.173 1.00 10.00 N ATOM 776 CA ASP A 56 -8.292 1.763 -9.578 1.00 10.00 C ATOM 777 C ASP A 56 -8.541 3.261 -9.787 1.00 10.00 C ATOM 778 O ASP A 56 -9.471 3.664 -10.484 1.00 10.00 O ATOM 779 CB ASP A 56 -9.107 0.793 -10.471 1.00 10.00 C ATOM 780 CG ASP A 56 -8.864 -0.706 -10.213 1.00 10.00 C ATOM 781 OD1 ASP A 56 -8.924 -1.158 -9.048 1.00 10.00 O ATOM 782 OD2 ASP A 56 -8.670 -1.478 -11.174 1.00 10.00 O ATOM 0 H ASP A 56 -7.603 1.362 -7.662 1.00 10.00 H new ATOM 0 HA ASP A 56 -7.270 1.568 -9.903 1.00 10.00 H new ATOM 0 HB2 ASP A 56 -10.168 1.001 -10.330 1.00 10.00 H new ATOM 0 HB3 ASP A 56 -8.876 1.007 -11.515 1.00 10.00 H new ATOM 787 N GLN A 57 -7.713 4.090 -9.132 1.00 10.00 N ATOM 788 CA GLN A 57 -7.854 5.541 -9.015 1.00 10.00 C ATOM 789 C GLN A 57 -6.469 6.224 -9.014 1.00 10.00 C ATOM 790 O GLN A 57 -5.563 5.736 -8.346 1.00 10.00 O ATOM 791 CB GLN A 57 -8.573 5.841 -7.690 1.00 10.00 C ATOM 792 CG GLN A 57 -10.065 5.482 -7.688 1.00 10.00 C ATOM 793 CD GLN A 57 -10.872 6.342 -8.656 1.00 10.00 C ATOM 794 OE1 GLN A 57 -11.317 7.428 -8.302 1.00 10.00 O ATOM 795 NE2 GLN A 57 -11.063 5.879 -9.887 1.00 10.00 N ATOM 0 H GLN A 57 -6.886 3.743 -8.646 1.00 10.00 H new ATOM 0 HA GLN A 57 -8.423 5.925 -9.862 1.00 10.00 H new ATOM 0 HB2 GLN A 57 -8.078 5.292 -6.889 1.00 10.00 H new ATOM 0 HB3 GLN A 57 -8.466 6.902 -7.464 1.00 10.00 H new ATOM 0 HG2 GLN A 57 -10.183 4.432 -7.954 1.00 10.00 H new ATOM 0 HG3 GLN A 57 -10.463 5.602 -6.681 1.00 10.00 H new ATOM 0 HE21 GLN A 57 -10.682 4.972 -10.156 1.00 10.00 H new ATOM 0 HE22 GLN A 57 -11.591 6.431 -10.563 1.00 10.00 H new ATOM 804 N PRO A 58 -6.266 7.349 -9.723 1.00 10.00 N ATOM 805 CA PRO A 58 -4.951 7.968 -9.883 1.00 10.00 C ATOM 806 C PRO A 58 -4.491 8.693 -8.608 1.00 10.00 C ATOM 807 O PRO A 58 -4.803 9.868 -8.413 1.00 10.00 O ATOM 808 CB PRO A 58 -5.118 8.932 -11.063 1.00 10.00 C ATOM 809 CG PRO A 58 -6.585 9.354 -10.963 1.00 10.00 C ATOM 810 CD PRO A 58 -7.273 8.077 -10.480 1.00 10.00 C ATOM 0 HA PRO A 58 -4.174 7.226 -10.068 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -4.447 9.787 -10.983 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -4.903 8.445 -12.014 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -6.722 10.177 -10.262 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -6.977 9.686 -11.925 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -8.138 8.309 -9.859 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -7.634 7.485 -11.321 1.00 10.00 H new ATOM 818 N ILE A 59 -3.740 8.006 -7.738 1.00 10.00 N ATOM 819 CA ILE A 59 -3.245 8.555 -6.470 1.00 10.00 C ATOM 820 C ILE A 59 -1.718 8.494 -6.466 1.00 10.00 C ATOM 821 O ILE A 59 -1.143 7.415 -6.373 1.00 10.00 O ATOM 822 CB ILE A 59 -3.844 7.822 -5.245 1.00 10.00 C ATOM 823 CG1 ILE A 59 -5.303 8.232 -4.962 1.00 10.00 C ATOM 824 CG2 ILE A 59 -3.053 8.149 -3.963 1.00 10.00 C ATOM 825 CD1 ILE A 59 -6.326 7.594 -5.894 1.00 10.00 C ATOM 0 H ILE A 59 -3.455 7.040 -7.898 1.00 10.00 H new ATOM 0 HA ILE A 59 -3.567 9.593 -6.388 1.00 10.00 H new ATOM 0 HB ILE A 59 -3.792 6.762 -5.494 1.00 10.00 H new ATOM 0 HG12 ILE A 59 -5.550 7.966 -3.934 1.00 10.00 H new ATOM 0 HG13 ILE A 59 -5.385 9.316 -5.039 1.00 10.00 H new ATOM 0 HG21 ILE A 59 -3.495 7.621 -3.118 1.00 10.00 H new ATOM 0 HG22 ILE A 59 -2.016 7.835 -4.085 1.00 10.00 H new ATOM 0 HG23 ILE A 59 -3.087 9.223 -3.778 1.00 10.00 H new ATOM 0 HD11 ILE A 59 -7.326 7.936 -5.626 1.00 10.00 H new ATOM 0 HD12 ILE A 59 -6.109 7.880 -6.923 1.00 10.00 H new ATOM 0 HD13 ILE A 59 -6.276 6.509 -5.801 1.00 10.00 H new ATOM 837 N LYS A 60 -1.067 9.659 -6.507 1.00 10.00 N ATOM 838 CA LYS A 60 0.381 9.780 -6.394 1.00 10.00 C ATOM 839 C LYS A 60 0.810 9.733 -4.923 1.00 10.00 C ATOM 840 O LYS A 60 -0.023 9.880 -4.028 1.00 10.00 O ATOM 841 CB LYS A 60 0.819 11.112 -7.020 1.00 10.00 C ATOM 842 CG LYS A 60 0.128 12.323 -6.369 1.00 10.00 C ATOM 843 CD LYS A 60 -0.920 12.949 -7.303 1.00 10.00 C ATOM 844 CE LYS A 60 -2.035 13.536 -6.426 1.00 10.00 C ATOM 845 NZ LYS A 60 -3.124 14.195 -7.173 1.00 10.00 N ATOM 0 H LYS A 60 -1.541 10.555 -6.621 1.00 10.00 H new ATOM 0 HA LYS A 60 0.854 8.949 -6.917 1.00 10.00 H new ATOM 0 HB2 LYS A 60 1.899 11.218 -6.922 1.00 10.00 H new ATOM 0 HB3 LYS A 60 0.595 11.100 -8.087 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -0.351 12.013 -5.440 1.00 10.00 H new ATOM 0 HG3 LYS A 60 0.876 13.072 -6.107 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -0.468 13.727 -7.918 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -1.323 12.199 -7.983 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -2.461 12.737 -5.820 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -1.595 14.258 -5.738 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -3.840 14.547 -6.505 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -2.738 14.992 -7.718 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -3.563 13.511 -7.823 1.00 10.00 H new ATOM 859 N LEU A 61 2.116 9.598 -4.676 1.00 10.00 N ATOM 860 CA LEU A 61 2.716 9.612 -3.358 1.00 10.00 C ATOM 861 C LEU A 61 3.914 10.553 -3.460 1.00 10.00 C ATOM 862 O LEU A 61 4.720 10.393 -4.371 1.00 10.00 O ATOM 863 CB LEU A 61 3.085 8.159 -3.026 1.00 10.00 C ATOM 864 CG LEU A 61 4.055 7.916 -1.865 1.00 10.00 C ATOM 865 CD1 LEU A 61 5.498 8.263 -2.249 1.00 10.00 C ATOM 866 CD2 LEU A 61 3.625 8.606 -0.569 1.00 10.00 C ATOM 0 H LEU A 61 2.801 9.472 -5.421 1.00 10.00 H new ATOM 0 HA LEU A 61 2.072 9.970 -2.555 1.00 10.00 H new ATOM 0 HB2 LEU A 61 2.162 7.620 -2.810 1.00 10.00 H new ATOM 0 HB3 LEU A 61 3.515 7.710 -3.921 1.00 10.00 H new ATOM 0 HG LEU A 61 4.020 6.846 -1.659 1.00 10.00 H new ATOM 0 HD11 LEU A 61 6.155 8.077 -1.400 1.00 10.00 H new ATOM 0 HD12 LEU A 61 5.809 7.644 -3.091 1.00 10.00 H new ATOM 0 HD13 LEU A 61 5.557 9.314 -2.530 1.00 10.00 H new ATOM 0 HD21 LEU A 61 4.353 8.395 0.214 1.00 10.00 H new ATOM 0 HD22 LEU A 61 3.568 9.682 -0.731 1.00 10.00 H new ATOM 0 HD23 LEU A 61 2.647 8.233 -0.265 1.00 10.00 H new ATOM 878 N VAL A 62 4.017 11.543 -2.565 1.00 10.00 N ATOM 879 CA VAL A 62 5.151 12.463 -2.513 1.00 10.00 C ATOM 880 C VAL A 62 5.459 12.823 -1.057 1.00 10.00 C ATOM 881 O VAL A 62 5.498 13.990 -0.679 1.00 10.00 O ATOM 882 CB VAL A 62 4.892 13.680 -3.428 1.00 10.00 C ATOM 883 CG1 VAL A 62 3.578 14.420 -3.158 1.00 10.00 C ATOM 884 CG2 VAL A 62 6.060 14.675 -3.482 1.00 10.00 C ATOM 0 H VAL A 62 3.309 11.726 -1.854 1.00 10.00 H new ATOM 0 HA VAL A 62 6.050 11.987 -2.904 1.00 10.00 H new ATOM 0 HB VAL A 62 4.797 13.220 -4.412 1.00 10.00 H new ATOM 0 HG11 VAL A 62 3.484 15.258 -3.848 1.00 10.00 H new ATOM 0 HG12 VAL A 62 2.740 13.737 -3.300 1.00 10.00 H new ATOM 0 HG13 VAL A 62 3.574 14.792 -2.133 1.00 10.00 H new ATOM 0 HG21 VAL A 62 5.803 15.502 -4.144 1.00 10.00 H new ATOM 0 HG22 VAL A 62 6.257 15.059 -2.481 1.00 10.00 H new ATOM 0 HG23 VAL A 62 6.950 14.171 -3.859 1.00 10.00 H new ATOM 894 N GLY A 63 5.703 11.813 -0.219 1.00 10.00 N ATOM 895 CA GLY A 63 6.349 12.035 1.062 1.00 10.00 C ATOM 896 C GLY A 63 6.914 10.726 1.600 1.00 10.00 C ATOM 897 O GLY A 63 6.332 9.670 1.361 1.00 10.00 O ATOM 0 H GLY A 63 5.462 10.840 -0.409 1.00 10.00 H new ATOM 0 HA2 GLY A 63 7.149 12.767 0.952 1.00 10.00 H new ATOM 0 HA3 GLY A 63 5.633 12.450 1.772 1.00 10.00 H new ATOM 901 N ALA A 64 8.032 10.807 2.322 1.00 10.00 N ATOM 902 CA ALA A 64 8.663 9.691 3.014 1.00 10.00 C ATOM 903 C ALA A 64 9.543 10.221 4.153 1.00 10.00 C ATOM 904 O ALA A 64 10.767 10.117 4.095 1.00 10.00 O ATOM 905 CB ALA A 64 9.473 8.867 2.008 1.00 10.00 C ATOM 0 H ALA A 64 8.538 11.684 2.443 1.00 10.00 H new ATOM 0 HA ALA A 64 7.906 9.042 3.454 1.00 10.00 H new ATOM 0 HB1 ALA A 64 9.947 8.030 2.521 1.00 10.00 H new ATOM 0 HB2 ALA A 64 8.810 8.487 1.231 1.00 10.00 H new ATOM 0 HB3 ALA A 64 10.239 9.496 1.555 1.00 10.00 H new ATOM 911 N ALA A 65 8.933 10.812 5.183 1.00 10.00 N ATOM 912 CA ALA A 65 9.666 11.335 6.332 1.00 10.00 C ATOM 913 C ALA A 65 9.909 10.194 7.319 1.00 10.00 C ATOM 914 O ALA A 65 9.064 9.311 7.435 1.00 10.00 O ATOM 915 CB ALA A 65 8.862 12.462 6.985 1.00 10.00 C ATOM 0 H ALA A 65 7.923 10.940 5.242 1.00 10.00 H new ATOM 0 HA ALA A 65 10.626 11.743 6.016 1.00 10.00 H new ATOM 0 HB1 ALA A 65 9.411 12.851 7.843 1.00 10.00 H new ATOM 0 HB2 ALA A 65 8.704 13.262 6.262 1.00 10.00 H new ATOM 0 HB3 ALA A 65 7.898 12.076 7.316 1.00 10.00 H new ATOM 921 N THR A 66 11.048 10.175 8.018 1.00 10.00 N ATOM 922 CA THR A 66 11.402 9.055 8.884 1.00 10.00 C ATOM 923 C THR A 66 12.632 9.404 9.739 1.00 10.00 C ATOM 924 O THR A 66 13.506 10.162 9.293 1.00 10.00 O ATOM 925 CB THR A 66 11.655 7.801 8.016 1.00 10.00 C ATOM 926 OG1 THR A 66 12.199 6.751 8.781 1.00 10.00 O ATOM 927 CG2 THR A 66 12.593 8.075 6.837 1.00 10.00 C ATOM 0 H THR A 66 11.739 10.925 7.998 1.00 10.00 H new ATOM 0 HA THR A 66 10.579 8.846 9.568 1.00 10.00 H new ATOM 0 HB THR A 66 10.679 7.515 7.625 1.00 10.00 H new ATOM 0 HG1 THR A 66 11.474 6.246 9.205 1.00 10.00 H new ATOM 0 HG21 THR A 66 12.734 7.159 6.264 1.00 10.00 H new ATOM 0 HG22 THR A 66 12.157 8.841 6.196 1.00 10.00 H new ATOM 0 HG23 THR A 66 13.557 8.420 7.211 1.00 10.00 H new ATOM 935 N PRO A 67 12.785 8.825 10.942 1.00 10.00 N ATOM 936 CA PRO A 67 14.033 8.872 11.692 1.00 10.00 C ATOM 937 C PRO A 67 15.102 7.957 11.060 1.00 10.00 C ATOM 938 O PRO A 67 15.815 7.259 11.775 1.00 10.00 O ATOM 939 CB PRO A 67 13.647 8.448 13.115 1.00 10.00 C ATOM 940 CG PRO A 67 12.511 7.457 12.871 1.00 10.00 C ATOM 941 CD PRO A 67 11.778 8.082 11.685 1.00 10.00 C ATOM 0 HA PRO A 67 14.489 9.862 11.689 1.00 10.00 H new ATOM 0 HB2 PRO A 67 14.482 7.986 13.641 1.00 10.00 H new ATOM 0 HB3 PRO A 67 13.322 9.297 13.717 1.00 10.00 H new ATOM 0 HG2 PRO A 67 12.885 6.460 12.638 1.00 10.00 H new ATOM 0 HG3 PRO A 67 11.864 7.359 13.742 1.00 10.00 H new ATOM 0 HD2 PRO A 67 11.319 7.315 11.061 1.00 10.00 H new ATOM 0 HD3 PRO A 67 10.977 8.740 12.023 1.00 10.00 H new ATOM 949 N LEU A 68 15.269 8.008 9.731 1.00 10.00 N ATOM 950 CA LEU A 68 16.271 7.255 8.986 1.00 10.00 C ATOM 951 C LEU A 68 16.949 8.197 7.991 1.00 10.00 C ATOM 952 O LEU A 68 18.055 8.666 8.241 1.00 10.00 O ATOM 953 CB LEU A 68 15.583 6.048 8.333 1.00 10.00 C ATOM 954 CG LEU A 68 16.521 5.047 7.642 1.00 10.00 C ATOM 955 CD1 LEU A 68 15.704 3.794 7.304 1.00 10.00 C ATOM 956 CD2 LEU A 68 17.165 5.567 6.353 1.00 10.00 C ATOM 0 H LEU A 68 14.689 8.595 9.132 1.00 10.00 H new ATOM 0 HA LEU A 68 17.058 6.861 9.629 1.00 10.00 H new ATOM 0 HB2 LEU A 68 15.014 5.518 9.097 1.00 10.00 H new ATOM 0 HB3 LEU A 68 14.866 6.414 7.598 1.00 10.00 H new ATOM 0 HG LEU A 68 17.339 4.850 8.335 1.00 10.00 H new ATOM 0 HD11 LEU A 68 16.345 3.063 6.811 1.00 10.00 H new ATOM 0 HD12 LEU A 68 15.302 3.364 8.221 1.00 10.00 H new ATOM 0 HD13 LEU A 68 14.883 4.063 6.639 1.00 10.00 H new ATOM 0 HD21 LEU A 68 17.811 4.796 5.932 1.00 10.00 H new ATOM 0 HD22 LEU A 68 16.386 5.820 5.634 1.00 10.00 H new ATOM 0 HD23 LEU A 68 17.757 6.455 6.575 1.00 10.00 H new ATOM 968 N ALA A 69 16.280 8.504 6.879 1.00 10.00 N ATOM 969 CA ALA A 69 16.838 9.331 5.821 1.00 10.00 C ATOM 970 C ALA A 69 17.018 10.768 6.291 1.00 10.00 C ATOM 971 O ALA A 69 16.173 11.288 7.021 1.00 10.00 O ATOM 972 CB ALA A 69 15.895 9.319 4.621 1.00 10.00 C ATOM 0 H ALA A 69 15.331 8.182 6.691 1.00 10.00 H new ATOM 0 HA ALA A 69 17.812 8.926 5.545 1.00 10.00 H new ATOM 0 HB1 ALA A 69 16.310 9.938 3.826 1.00 10.00 H new ATOM 0 HB2 ALA A 69 15.777 8.297 4.261 1.00 10.00 H new ATOM 0 HB3 ALA A 69 14.923 9.713 4.918 1.00 10.00 H new ATOM 978 N THR A 70 18.087 11.423 5.847 1.00 10.00 N ATOM 979 CA THR A 70 18.246 12.872 5.945 1.00 10.00 C ATOM 980 C THR A 70 17.826 13.527 4.624 1.00 10.00 C ATOM 981 O THR A 70 17.360 14.662 4.614 1.00 10.00 O ATOM 982 CB THR A 70 19.694 13.218 6.323 1.00 10.00 C ATOM 983 OG1 THR A 70 20.114 12.385 7.384 1.00 10.00 O ATOM 984 CG2 THR A 70 19.831 14.670 6.786 1.00 10.00 C ATOM 0 H THR A 70 18.878 10.957 5.403 1.00 10.00 H new ATOM 0 HA THR A 70 17.601 13.263 6.732 1.00 10.00 H new ATOM 0 HB THR A 70 20.306 13.070 5.433 1.00 10.00 H new ATOM 0 HG1 THR A 70 20.275 11.480 7.045 1.00 10.00 H new ATOM 0 HG21 THR A 70 20.870 14.873 7.044 1.00 10.00 H new ATOM 0 HG22 THR A 70 19.519 15.339 5.984 1.00 10.00 H new ATOM 0 HG23 THR A 70 19.202 14.834 7.661 1.00 10.00 H new ATOM 992 N SER A 71 17.984 12.802 3.512 1.00 10.00 N ATOM 993 CA SER A 71 17.694 13.239 2.158 1.00 10.00 C ATOM 994 C SER A 71 16.744 12.228 1.496 1.00 10.00 C ATOM 995 O SER A 71 17.154 11.542 0.559 1.00 10.00 O ATOM 996 CB SER A 71 19.037 13.345 1.417 1.00 10.00 C ATOM 997 OG SER A 71 18.848 13.617 0.045 1.00 10.00 O ATOM 0 H SER A 71 18.337 11.845 3.542 1.00 10.00 H new ATOM 0 HA SER A 71 17.198 14.209 2.136 1.00 10.00 H new ATOM 0 HB2 SER A 71 19.641 14.134 1.866 1.00 10.00 H new ATOM 0 HB3 SER A 71 19.592 12.414 1.532 1.00 10.00 H new ATOM 0 HG SER A 71 18.218 12.969 -0.333 1.00 10.00 H new ATOM 1003 N PRO A 72 15.487 12.114 1.956 1.00 10.00 N ATOM 1004 CA PRO A 72 14.500 11.245 1.336 1.00 10.00 C ATOM 1005 C PRO A 72 14.100 11.807 -0.027 1.00 10.00 C ATOM 1006 O PRO A 72 13.386 12.804 -0.105 1.00 10.00 O ATOM 1007 CB PRO A 72 13.323 11.207 2.316 1.00 10.00 C ATOM 1008 CG PRO A 72 13.404 12.561 3.022 1.00 10.00 C ATOM 1009 CD PRO A 72 14.909 12.826 3.087 1.00 10.00 C ATOM 0 HA PRO A 72 14.876 10.239 1.150 1.00 10.00 H new ATOM 0 HB2 PRO A 72 12.373 11.081 1.797 1.00 10.00 H new ATOM 0 HB3 PRO A 72 13.414 10.381 3.021 1.00 10.00 H new ATOM 0 HG2 PRO A 72 12.881 13.338 2.465 1.00 10.00 H new ATOM 0 HG3 PRO A 72 12.957 12.525 4.016 1.00 10.00 H new ATOM 0 HD2 PRO A 72 15.121 13.893 3.027 1.00 10.00 H new ATOM 0 HD3 PRO A 72 15.328 12.471 4.028 1.00 10.00 H new ATOM 1017 N MET A 73 14.576 11.172 -1.099 1.00 10.00 N ATOM 1018 CA MET A 73 14.390 11.625 -2.466 1.00 10.00 C ATOM 1019 C MET A 73 13.655 10.550 -3.263 1.00 10.00 C ATOM 1020 O MET A 73 14.061 9.392 -3.281 1.00 10.00 O ATOM 1021 CB MET A 73 15.767 11.908 -3.070 1.00 10.00 C ATOM 1022 CG MET A 73 16.426 13.173 -2.498 1.00 10.00 C ATOM 1023 SD MET A 73 16.233 14.715 -3.438 1.00 10.00 S ATOM 1024 CE MET A 73 14.444 14.955 -3.434 1.00 10.00 C ATOM 0 H MET A 73 15.114 10.308 -1.032 1.00 10.00 H new ATOM 0 HA MET A 73 13.791 12.535 -2.493 1.00 10.00 H new ATOM 0 HB2 MET A 73 16.419 11.053 -2.891 1.00 10.00 H new ATOM 0 HB3 MET A 73 15.669 12.013 -4.150 1.00 10.00 H new ATOM 0 HG2 MET A 73 16.027 13.337 -1.497 1.00 10.00 H new ATOM 0 HG3 MET A 73 17.493 12.977 -2.388 1.00 10.00 H new ATOM 0 HE1 MET A 73 14.210 15.954 -3.802 1.00 10.00 H new ATOM 0 HE2 MET A 73 13.976 14.212 -4.079 1.00 10.00 H new ATOM 0 HE3 MET A 73 14.064 14.845 -2.418 1.00 10.00 H new ATOM 1034 N LEU A 74 12.578 10.934 -3.943 1.00 10.00 N ATOM 1035 CA LEU A 74 11.797 10.037 -4.780 1.00 10.00 C ATOM 1036 C LEU A 74 12.500 9.914 -6.138 1.00 10.00 C ATOM 1037 O LEU A 74 12.989 10.913 -6.672 1.00 10.00 O ATOM 1038 CB LEU A 74 10.390 10.638 -4.917 1.00 10.00 C ATOM 1039 CG LEU A 74 9.628 10.580 -3.577 1.00 10.00 C ATOM 1040 CD1 LEU A 74 8.905 11.899 -3.302 1.00 10.00 C ATOM 1041 CD2 LEU A 74 8.612 9.434 -3.609 1.00 10.00 C ATOM 0 H LEU A 74 12.221 11.889 -3.926 1.00 10.00 H new ATOM 0 HA LEU A 74 11.712 9.039 -4.351 1.00 10.00 H new ATOM 0 HB2 LEU A 74 10.464 11.673 -5.252 1.00 10.00 H new ATOM 0 HB3 LEU A 74 9.832 10.095 -5.680 1.00 10.00 H new ATOM 0 HG LEU A 74 10.350 10.409 -2.779 1.00 10.00 H new ATOM 0 HD11 LEU A 74 8.375 11.832 -2.352 1.00 10.00 H new ATOM 0 HD12 LEU A 74 9.632 12.710 -3.256 1.00 10.00 H new ATOM 0 HD13 LEU A 74 8.191 12.096 -4.102 1.00 10.00 H new ATOM 0 HD21 LEU A 74 8.076 9.396 -2.661 1.00 10.00 H new ATOM 0 HD22 LEU A 74 7.903 9.599 -4.420 1.00 10.00 H new ATOM 0 HD23 LEU A 74 9.133 8.490 -3.769 1.00 10.00 H new ATOM 1053 N MET A 75 12.586 8.687 -6.671 1.00 10.00 N ATOM 1054 CA MET A 75 13.259 8.363 -7.925 1.00 10.00 C ATOM 1055 C MET A 75 12.372 7.405 -8.729 1.00 10.00 C ATOM 1056 O MET A 75 11.598 6.658 -8.140 1.00 10.00 O ATOM 1057 CB MET A 75 14.628 7.740 -7.613 1.00 10.00 C ATOM 1058 CG MET A 75 15.589 7.823 -8.807 1.00 10.00 C ATOM 1059 SD MET A 75 16.417 6.304 -9.291 1.00 10.00 S ATOM 1060 CE MET A 75 14.972 5.367 -9.841 1.00 10.00 C ATOM 0 H MET A 75 12.173 7.870 -6.222 1.00 10.00 H new ATOM 0 HA MET A 75 13.424 9.260 -8.522 1.00 10.00 H new ATOM 0 HB2 MET A 75 15.070 8.249 -6.757 1.00 10.00 H new ATOM 0 HB3 MET A 75 14.494 6.696 -7.329 1.00 10.00 H new ATOM 0 HG2 MET A 75 15.031 8.194 -9.667 1.00 10.00 H new ATOM 0 HG3 MET A 75 16.352 8.567 -8.577 1.00 10.00 H new ATOM 0 HE1 MET A 75 15.276 4.357 -10.117 1.00 10.00 H new ATOM 0 HE2 MET A 75 14.241 5.318 -9.034 1.00 10.00 H new ATOM 0 HE3 MET A 75 14.526 5.860 -10.705 1.00 10.00 H new ATOM 1070 N THR A 76 12.477 7.411 -10.063 1.00 10.00 N ATOM 1071 CA THR A 76 11.513 6.770 -10.946 1.00 10.00 C ATOM 1072 C THR A 76 12.216 6.257 -12.208 1.00 10.00 C ATOM 1073 O THR A 76 12.722 7.045 -13.008 1.00 10.00 O ATOM 1074 CB THR A 76 10.348 7.738 -11.190 1.00 10.00 C ATOM 1075 OG1 THR A 76 9.323 7.116 -11.932 1.00 10.00 O ATOM 1076 CG2 THR A 76 10.800 9.040 -11.847 1.00 10.00 C ATOM 0 H THR A 76 13.243 7.867 -10.558 1.00 10.00 H new ATOM 0 HA THR A 76 11.077 5.880 -10.492 1.00 10.00 H new ATOM 0 HB THR A 76 9.946 8.007 -10.213 1.00 10.00 H new ATOM 0 HG1 THR A 76 9.126 6.238 -11.545 1.00 10.00 H new ATOM 0 HG21 THR A 76 9.938 9.690 -11.998 1.00 10.00 H new ATOM 0 HG22 THR A 76 11.523 9.540 -11.203 1.00 10.00 H new ATOM 0 HG23 THR A 76 11.262 8.821 -12.810 1.00 10.00 H new ATOM 1084 N THR A 77 12.334 4.931 -12.363 1.00 10.00 N ATOM 1085 CA THR A 77 12.906 4.361 -13.582 1.00 10.00 C ATOM 1086 C THR A 77 12.172 3.085 -14.014 1.00 10.00 C ATOM 1087 O THR A 77 12.778 2.047 -14.256 1.00 10.00 O ATOM 1088 CB THR A 77 14.447 4.305 -13.491 1.00 10.00 C ATOM 1089 OG1 THR A 77 15.041 4.483 -14.761 1.00 10.00 O ATOM 1090 CG2 THR A 77 15.069 3.093 -12.788 1.00 10.00 C ATOM 0 H THR A 77 12.044 4.244 -11.667 1.00 10.00 H new ATOM 0 HA THR A 77 12.729 5.024 -14.429 1.00 10.00 H new ATOM 0 HB THR A 77 14.675 5.140 -12.828 1.00 10.00 H new ATOM 0 HG1 THR A 77 14.687 3.815 -15.384 1.00 10.00 H new ATOM 0 HG21 THR A 77 16.155 3.185 -12.797 1.00 10.00 H new ATOM 0 HG22 THR A 77 14.717 3.050 -11.757 1.00 10.00 H new ATOM 0 HG23 THR A 77 14.777 2.181 -13.309 1.00 10.00 H new ATOM 1098 N THR A 78 10.857 3.206 -14.198 1.00 10.00 N ATOM 1099 CA THR A 78 9.966 2.126 -14.595 1.00 10.00 C ATOM 1100 C THR A 78 8.991 2.645 -15.651 1.00 10.00 C ATOM 1101 O THR A 78 8.103 3.438 -15.348 1.00 10.00 O ATOM 1102 CB THR A 78 9.255 1.586 -13.347 1.00 10.00 C ATOM 1103 OG1 THR A 78 10.258 1.132 -12.470 1.00 10.00 O ATOM 1104 CG2 THR A 78 8.336 0.404 -13.660 1.00 10.00 C ATOM 0 H THR A 78 10.370 4.093 -14.069 1.00 10.00 H new ATOM 0 HA THR A 78 10.519 1.300 -15.042 1.00 10.00 H new ATOM 0 HB THR A 78 8.640 2.381 -12.925 1.00 10.00 H new ATOM 0 HG1 THR A 78 9.878 1.004 -11.576 1.00 10.00 H new ATOM 0 HG21 THR A 78 7.858 0.061 -12.742 1.00 10.00 H new ATOM 0 HG22 THR A 78 7.572 0.716 -14.372 1.00 10.00 H new ATOM 0 HG23 THR A 78 8.922 -0.409 -14.089 1.00 10.00 H new ATOM 1112 N HIS A 79 9.147 2.174 -16.892 1.00 10.00 N ATOM 1113 CA HIS A 79 8.284 2.515 -18.020 1.00 10.00 C ATOM 1114 C HIS A 79 6.810 2.283 -17.679 1.00 10.00 C ATOM 1115 O HIS A 79 5.959 3.110 -17.986 1.00 10.00 O ATOM 1116 CB HIS A 79 8.689 1.693 -19.252 1.00 10.00 C ATOM 1117 CG HIS A 79 10.030 2.068 -19.831 1.00 10.00 C ATOM 1118 ND1 HIS A 79 10.213 2.856 -20.966 1.00 10.00 N ATOM 1119 CD2 HIS A 79 11.250 1.676 -19.351 1.00 10.00 C ATOM 1120 CE1 HIS A 79 11.540 2.920 -21.150 1.00 10.00 C ATOM 1121 NE2 HIS A 79 12.186 2.221 -20.199 1.00 10.00 N ATOM 0 H HIS A 79 9.896 1.529 -17.143 1.00 10.00 H new ATOM 0 HA HIS A 79 8.409 3.575 -18.242 1.00 10.00 H new ATOM 0 HB2 HIS A 79 8.705 0.637 -18.981 1.00 10.00 H new ATOM 0 HB3 HIS A 79 7.927 1.813 -20.022 1.00 10.00 H new ATOM 0 HD2 HIS A 79 11.440 1.063 -18.482 1.00 10.00 H new ATOM 0 HE1 HIS A 79 12.024 3.459 -21.951 1.00 10.00 H new ATOM 0 HE2 HIS A 79 13.197 2.114 -20.120 1.00 10.00 H new ATOM 1129 N SER A 80 6.511 1.165 -17.016 1.00 10.00 N ATOM 1130 CA SER A 80 5.180 0.800 -16.558 1.00 10.00 C ATOM 1131 C SER A 80 4.816 1.473 -15.223 1.00 10.00 C ATOM 1132 O SER A 80 3.886 1.028 -14.552 1.00 10.00 O ATOM 1133 CB SER A 80 5.170 -0.731 -16.446 1.00 10.00 C ATOM 1134 OG SER A 80 6.435 -1.178 -15.978 1.00 10.00 O ATOM 0 H SER A 80 7.217 0.468 -16.778 1.00 10.00 H new ATOM 0 HA SER A 80 4.424 1.148 -17.262 1.00 10.00 H new ATOM 0 HB2 SER A 80 4.383 -1.052 -15.763 1.00 10.00 H new ATOM 0 HB3 SER A 80 4.951 -1.176 -17.416 1.00 10.00 H new ATOM 0 HG SER A 80 6.430 -2.155 -15.904 1.00 10.00 H new ATOM 1140 N GLY A 81 5.544 2.520 -14.821 1.00 10.00 N ATOM 1141 CA GLY A 81 5.380 3.224 -13.564 1.00 10.00 C ATOM 1142 C GLY A 81 5.316 4.728 -13.810 1.00 10.00 C ATOM 1143 O GLY A 81 4.731 5.165 -14.797 1.00 10.00 O ATOM 0 H GLY A 81 6.293 2.909 -15.394 1.00 10.00 H new ATOM 0 HA2 GLY A 81 4.469 2.890 -13.067 1.00 10.00 H new ATOM 0 HA3 GLY A 81 6.210 2.992 -12.897 1.00 10.00 H new ATOM 1147 N GLY A 82 5.902 5.520 -12.906 1.00 10.00 N ATOM 1148 CA GLY A 82 5.890 6.974 -13.012 1.00 10.00 C ATOM 1149 C GLY A 82 6.600 7.469 -14.273 1.00 10.00 C ATOM 1150 O GLY A 82 5.970 8.029 -15.167 1.00 10.00 O ATOM 0 H GLY A 82 6.395 5.168 -12.085 1.00 10.00 H new ATOM 0 HA2 GLY A 82 4.859 7.327 -13.016 1.00 10.00 H new ATOM 0 HA3 GLY A 82 6.371 7.404 -12.134 1.00 10.00 H new ATOM 1154 N MET A 83 7.923 7.301 -14.321 1.00 10.00 N ATOM 1155 CA MET A 83 8.784 7.681 -15.429 1.00 10.00 C ATOM 1156 C MET A 83 9.901 6.643 -15.545 1.00 10.00 C ATOM 1157 O MET A 83 10.065 5.793 -14.672 1.00 10.00 O ATOM 1158 CB MET A 83 9.337 9.100 -15.195 1.00 10.00 C ATOM 1159 CG MET A 83 8.519 10.168 -15.927 1.00 10.00 C ATOM 1160 SD MET A 83 8.748 10.191 -17.723 1.00 10.00 S ATOM 1161 CE MET A 83 7.614 11.526 -18.161 1.00 10.00 C ATOM 0 H MET A 83 8.441 6.877 -13.551 1.00 10.00 H new ATOM 0 HA MET A 83 8.228 7.702 -16.366 1.00 10.00 H new ATOM 0 HB2 MET A 83 9.339 9.316 -14.127 1.00 10.00 H new ATOM 0 HB3 MET A 83 10.373 9.144 -15.531 1.00 10.00 H new ATOM 0 HG2 MET A 83 7.463 10.010 -15.710 1.00 10.00 H new ATOM 0 HG3 MET A 83 8.783 11.147 -15.527 1.00 10.00 H new ATOM 0 HE1 MET A 83 7.629 11.677 -19.240 1.00 10.00 H new ATOM 0 HE2 MET A 83 6.604 11.264 -17.845 1.00 10.00 H new ATOM 0 HE3 MET A 83 7.923 12.444 -17.662 1.00 10.00 H new ATOM 1171 N ALA A 84 10.669 6.712 -16.636 1.00 10.00 N ATOM 1172 CA ALA A 84 11.683 5.743 -17.006 1.00 10.00 C ATOM 1173 C ALA A 84 13.013 6.480 -17.010 1.00 10.00 C ATOM 1174 O ALA A 84 13.687 6.537 -18.037 1.00 10.00 O ATOM 1175 CB ALA A 84 11.350 5.181 -18.390 1.00 10.00 C ATOM 0 H ALA A 84 10.592 7.477 -17.306 1.00 10.00 H new ATOM 0 HA ALA A 84 11.728 4.905 -16.310 1.00 10.00 H new ATOM 0 HB1 ALA A 84 12.107 4.451 -18.678 1.00 10.00 H new ATOM 0 HB2 ALA A 84 10.373 4.699 -18.361 1.00 10.00 H new ATOM 0 HB3 ALA A 84 11.333 5.992 -19.118 1.00 10.00 H new ATOM 1181 N GLY A 85 13.345 7.132 -15.893 1.00 10.00 N ATOM 1182 CA GLY A 85 14.422 8.095 -15.888 1.00 10.00 C ATOM 1183 C GLY A 85 15.011 8.269 -14.496 1.00 10.00 C ATOM 1184 O GLY A 85 14.751 9.293 -13.868 1.00 10.00 O ATOM 0 H GLY A 85 12.882 7.005 -14.993 1.00 10.00 H new ATOM 0 HA2 GLY A 85 15.203 7.772 -16.576 1.00 10.00 H new ATOM 0 HA3 GLY A 85 14.054 9.055 -16.251 1.00 10.00 H new ATOM 1188 N MET A 86 15.804 7.295 -14.030 1.00 10.00 N ATOM 1189 CA MET A 86 16.498 7.352 -12.749 1.00 10.00 C ATOM 1190 C MET A 86 17.252 8.671 -12.572 1.00 10.00 C ATOM 1191 O MET A 86 18.373 8.854 -13.038 1.00 10.00 O ATOM 1192 CB MET A 86 17.354 6.091 -12.497 1.00 10.00 C ATOM 1193 CG MET A 86 18.673 6.292 -11.730 1.00 10.00 C ATOM 1194 SD MET A 86 19.338 4.823 -10.905 1.00 10.00 S ATOM 1195 CE MET A 86 19.626 3.750 -12.327 1.00 10.00 C ATOM 0 H MET A 86 15.980 6.433 -14.546 1.00 10.00 H new ATOM 0 HA MET A 86 15.746 7.343 -11.960 1.00 10.00 H new ATOM 0 HB2 MET A 86 16.747 5.372 -11.947 1.00 10.00 H new ATOM 0 HB3 MET A 86 17.587 5.640 -13.461 1.00 10.00 H new ATOM 0 HG2 MET A 86 19.423 6.665 -12.427 1.00 10.00 H new ATOM 0 HG3 MET A 86 18.521 7.069 -10.980 1.00 10.00 H new ATOM 0 HE1 MET A 86 20.135 2.843 -12.001 1.00 10.00 H new ATOM 0 HE2 MET A 86 18.672 3.487 -12.783 1.00 10.00 H new ATOM 0 HE3 MET A 86 20.246 4.271 -13.057 1.00 10.00 H new ATOM 1205 N LYS A 87 16.604 9.574 -11.846 1.00 10.00 N ATOM 1206 CA LYS A 87 17.137 10.798 -11.292 1.00 10.00 C ATOM 1207 C LYS A 87 16.247 11.141 -10.097 1.00 10.00 C ATOM 1208 O LYS A 87 15.161 10.575 -9.975 1.00 10.00 O ATOM 1209 CB LYS A 87 17.126 11.902 -12.361 1.00 10.00 C ATOM 1210 CG LYS A 87 15.697 12.257 -12.809 1.00 10.00 C ATOM 1211 CD LYS A 87 15.612 12.414 -14.330 1.00 10.00 C ATOM 1212 CE LYS A 87 14.151 12.641 -14.744 1.00 10.00 C ATOM 1213 NZ LYS A 87 13.994 12.713 -16.211 1.00 10.00 N ATOM 0 H LYS A 87 15.618 9.454 -11.616 1.00 10.00 H new ATOM 0 HA LYS A 87 18.173 10.694 -10.970 1.00 10.00 H new ATOM 0 HB2 LYS A 87 17.614 12.793 -11.967 1.00 10.00 H new ATOM 0 HB3 LYS A 87 17.706 11.576 -13.224 1.00 10.00 H new ATOM 0 HG2 LYS A 87 15.008 11.478 -12.483 1.00 10.00 H new ATOM 0 HG3 LYS A 87 15.383 13.183 -12.328 1.00 10.00 H new ATOM 0 HD2 LYS A 87 16.227 13.254 -14.654 1.00 10.00 H new ATOM 0 HD3 LYS A 87 16.005 11.523 -14.820 1.00 10.00 H new ATOM 0 HE2 LYS A 87 13.534 11.832 -14.353 1.00 10.00 H new ATOM 0 HE3 LYS A 87 13.787 13.565 -14.295 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 12.993 12.867 -16.446 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 14.562 13.501 -16.583 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 14.317 11.822 -16.639 1.00 10.00 H new ATOM 1227 N MET A 88 16.670 12.068 -9.241 1.00 10.00 N ATOM 1228 CA MET A 88 15.857 12.480 -8.106 1.00 10.00 C ATOM 1229 C MET A 88 14.829 13.484 -8.632 1.00 10.00 C ATOM 1230 O MET A 88 15.185 14.356 -9.425 1.00 10.00 O ATOM 1231 CB MET A 88 16.760 13.093 -7.029 1.00 10.00 C ATOM 1232 CG MET A 88 17.757 12.053 -6.492 1.00 10.00 C ATOM 1233 SD MET A 88 18.858 12.594 -5.157 1.00 10.00 S ATOM 1234 CE MET A 88 19.751 13.940 -5.966 1.00 10.00 C ATOM 0 H MET A 88 17.569 12.545 -9.314 1.00 10.00 H new ATOM 0 HA MET A 88 15.339 11.638 -7.647 1.00 10.00 H new ATOM 0 HB2 MET A 88 17.303 13.942 -7.444 1.00 10.00 H new ATOM 0 HB3 MET A 88 16.149 13.474 -6.210 1.00 10.00 H new ATOM 0 HG2 MET A 88 17.192 11.191 -6.138 1.00 10.00 H new ATOM 0 HG3 MET A 88 18.373 11.711 -7.324 1.00 10.00 H new ATOM 0 HE1 MET A 88 20.561 14.279 -5.320 1.00 10.00 H new ATOM 0 HE2 MET A 88 20.164 13.587 -6.911 1.00 10.00 H new ATOM 0 HE3 MET A 88 19.068 14.768 -6.155 1.00 10.00 H new ATOM 1244 N VAL A 89 13.555 13.315 -8.268 1.00 10.00 N ATOM 1245 CA VAL A 89 12.439 14.042 -8.872 1.00 10.00 C ATOM 1246 C VAL A 89 11.484 14.563 -7.791 1.00 10.00 C ATOM 1247 O VAL A 89 11.584 14.122 -6.647 1.00 10.00 O ATOM 1248 CB VAL A 89 11.701 13.109 -9.860 1.00 10.00 C ATOM 1249 CG1 VAL A 89 12.505 12.931 -11.152 1.00 10.00 C ATOM 1250 CG2 VAL A 89 11.408 11.730 -9.259 1.00 10.00 C ATOM 0 H VAL A 89 13.268 12.663 -7.538 1.00 10.00 H new ATOM 0 HA VAL A 89 12.821 14.906 -9.416 1.00 10.00 H new ATOM 0 HB VAL A 89 10.750 13.593 -10.080 1.00 10.00 H new ATOM 0 HG11 VAL A 89 11.964 12.270 -11.829 1.00 10.00 H new ATOM 0 HG12 VAL A 89 12.648 13.901 -11.628 1.00 10.00 H new ATOM 0 HG13 VAL A 89 13.476 12.495 -10.919 1.00 10.00 H new ATOM 0 HG21 VAL A 89 10.889 11.115 -9.995 1.00 10.00 H new ATOM 0 HG22 VAL A 89 12.345 11.248 -8.980 1.00 10.00 H new ATOM 0 HG23 VAL A 89 10.781 11.844 -8.375 1.00 10.00 H new ATOM 1260 N PRO A 90 10.535 15.457 -8.148 1.00 10.00 N ATOM 1261 CA PRO A 90 9.328 15.712 -7.365 1.00 10.00 C ATOM 1262 C PRO A 90 8.778 14.426 -6.751 1.00 10.00 C ATOM 1263 O PRO A 90 8.639 14.362 -5.533 1.00 10.00 O ATOM 1264 CB PRO A 90 8.346 16.433 -8.297 1.00 10.00 C ATOM 1265 CG PRO A 90 8.927 16.232 -9.695 1.00 10.00 C ATOM 1266 CD PRO A 90 10.425 16.159 -9.420 1.00 10.00 C ATOM 0 HA PRO A 90 9.531 16.347 -6.503 1.00 10.00 H new ATOM 0 HB2 PRO A 90 7.344 16.012 -8.220 1.00 10.00 H new ATOM 0 HB3 PRO A 90 8.267 17.491 -8.048 1.00 10.00 H new ATOM 0 HG2 PRO A 90 8.555 15.320 -10.162 1.00 10.00 H new ATOM 0 HG3 PRO A 90 8.676 17.057 -10.362 1.00 10.00 H new ATOM 0 HD2 PRO A 90 10.947 15.625 -10.213 1.00 10.00 H new ATOM 0 HD3 PRO A 90 10.866 17.154 -9.362 1.00 10.00 H new ATOM 1274 N TRP A 91 8.490 13.414 -7.579 1.00 10.00 N ATOM 1275 CA TRP A 91 7.874 12.159 -7.192 1.00 10.00 C ATOM 1276 C TRP A 91 7.670 11.271 -8.416 1.00 10.00 C ATOM 1277 O TRP A 91 8.267 11.508 -9.465 1.00 10.00 O ATOM 1278 CB TRP A 91 6.536 12.411 -6.495 1.00 10.00 C ATOM 1279 CG TRP A 91 5.377 12.899 -7.302 1.00 10.00 C ATOM 1280 CD1 TRP A 91 4.111 12.734 -6.888 1.00 10.00 C ATOM 1281 CD2 TRP A 91 5.291 13.770 -8.472 1.00 10.00 C ATOM 1282 NE1 TRP A 91 3.294 13.608 -7.562 1.00 10.00 N ATOM 1283 CE2 TRP A 91 4.003 14.358 -8.472 1.00 10.00 C ATOM 1284 CE3 TRP A 91 6.138 14.142 -9.535 1.00 10.00 C ATOM 1285 CZ2 TRP A 91 3.673 15.427 -9.308 1.00 10.00 C ATOM 1286 CZ3 TRP A 91 5.772 15.131 -10.466 1.00 10.00 C ATOM 1287 CH2 TRP A 91 4.566 15.829 -10.310 1.00 10.00 C ATOM 0 H TRP A 91 8.692 13.459 -8.578 1.00 10.00 H new ATOM 0 HA TRP A 91 8.538 11.649 -6.494 1.00 10.00 H new ATOM 0 HB2 TRP A 91 6.234 11.479 -6.016 1.00 10.00 H new ATOM 0 HB3 TRP A 91 6.711 13.136 -5.700 1.00 10.00 H new ATOM 0 HD1 TRP A 91 3.786 12.025 -6.141 1.00 10.00 H new ATOM 0 HE1 TRP A 91 2.289 13.691 -7.408 1.00 10.00 H new ATOM 0 HE3 TRP A 91 7.096 13.654 -9.638 1.00 10.00 H new ATOM 0 HZ2 TRP A 91 2.732 15.942 -9.182 1.00 10.00 H new ATOM 0 HZ3 TRP A 91 6.420 15.353 -11.301 1.00 10.00 H new ATOM 0 HH2 TRP A 91 4.329 16.664 -10.953 1.00 10.00 H new ATOM 1298 N LEU A 92 6.756 10.313 -8.285 1.00 10.00 N ATOM 1299 CA LEU A 92 6.113 9.594 -9.354 1.00 10.00 C ATOM 1300 C LEU A 92 4.606 9.773 -9.149 1.00 10.00 C ATOM 1301 O LEU A 92 4.131 9.822 -8.015 1.00 10.00 O ATOM 1302 CB LEU A 92 6.559 8.123 -9.356 1.00 10.00 C ATOM 1303 CG LEU A 92 6.850 7.419 -8.013 1.00 10.00 C ATOM 1304 CD1 LEU A 92 8.152 7.840 -7.316 1.00 10.00 C ATOM 1305 CD2 LEU A 92 5.684 7.422 -7.018 1.00 10.00 C ATOM 0 H LEU A 92 6.432 10.008 -7.367 1.00 10.00 H new ATOM 0 HA LEU A 92 6.391 9.976 -10.336 1.00 10.00 H new ATOM 0 HB2 LEU A 92 5.787 7.548 -9.867 1.00 10.00 H new ATOM 0 HB3 LEU A 92 7.461 8.055 -9.963 1.00 10.00 H new ATOM 0 HG LEU A 92 6.992 6.389 -8.341 1.00 10.00 H new ATOM 0 HD11 LEU A 92 8.260 7.287 -6.383 1.00 10.00 H new ATOM 0 HD12 LEU A 92 8.999 7.624 -7.967 1.00 10.00 H new ATOM 0 HD13 LEU A 92 8.122 8.909 -7.103 1.00 10.00 H new ATOM 0 HD21 LEU A 92 5.983 6.905 -6.106 1.00 10.00 H new ATOM 0 HD22 LEU A 92 5.411 8.450 -6.780 1.00 10.00 H new ATOM 0 HD23 LEU A 92 4.828 6.912 -7.460 1.00 10.00 H new ATOM 1317 N THR A 93 3.858 9.911 -10.244 1.00 10.00 N ATOM 1318 CA THR A 93 2.404 9.876 -10.248 1.00 10.00 C ATOM 1319 C THR A 93 2.018 8.584 -10.948 1.00 10.00 C ATOM 1320 O THR A 93 2.621 8.243 -11.963 1.00 10.00 O ATOM 1321 CB THR A 93 1.854 11.123 -10.955 1.00 10.00 C ATOM 1322 OG1 THR A 93 2.145 12.250 -10.154 1.00 10.00 O ATOM 1323 CG2 THR A 93 0.339 11.066 -11.176 1.00 10.00 C ATOM 0 H THR A 93 4.260 10.053 -11.171 1.00 10.00 H new ATOM 0 HA THR A 93 1.980 9.891 -9.244 1.00 10.00 H new ATOM 0 HB THR A 93 2.326 11.180 -11.936 1.00 10.00 H new ATOM 0 HG1 THR A 93 2.577 11.959 -9.324 1.00 10.00 H new ATOM 0 HG21 THR A 93 0.010 11.975 -11.680 1.00 10.00 H new ATOM 0 HG22 THR A 93 0.093 10.201 -11.792 1.00 10.00 H new ATOM 0 HG23 THR A 93 -0.166 10.981 -10.214 1.00 10.00 H new ATOM 1331 N ILE A 94 1.061 7.852 -10.377 1.00 10.00 N ATOM 1332 CA ILE A 94 0.677 6.527 -10.830 1.00 10.00 C ATOM 1333 C ILE A 94 -0.809 6.594 -11.170 1.00 10.00 C ATOM 1334 O ILE A 94 -1.557 7.288 -10.475 1.00 10.00 O ATOM 1335 CB ILE A 94 1.040 5.476 -9.762 1.00 10.00 C ATOM 1336 CG1 ILE A 94 0.281 5.631 -8.438 1.00 10.00 C ATOM 1337 CG2 ILE A 94 2.539 5.604 -9.450 1.00 10.00 C ATOM 1338 CD1 ILE A 94 -1.006 4.808 -8.370 1.00 10.00 C ATOM 0 H ILE A 94 0.525 8.175 -9.572 1.00 10.00 H new ATOM 0 HA ILE A 94 1.218 6.213 -11.723 1.00 10.00 H new ATOM 0 HB ILE A 94 0.766 4.507 -10.180 1.00 10.00 H new ATOM 0 HG12 ILE A 94 0.935 5.336 -7.617 1.00 10.00 H new ATOM 0 HG13 ILE A 94 0.038 6.683 -8.289 1.00 10.00 H new ATOM 0 HG21 ILE A 94 2.818 4.868 -8.695 1.00 10.00 H new ATOM 0 HG22 ILE A 94 3.116 5.429 -10.358 1.00 10.00 H new ATOM 0 HG23 ILE A 94 2.748 6.606 -9.075 1.00 10.00 H new ATOM 0 HD11 ILE A 94 -1.489 4.967 -7.406 1.00 10.00 H new ATOM 0 HD12 ILE A 94 -1.679 5.119 -9.169 1.00 10.00 H new ATOM 0 HD13 ILE A 94 -0.768 3.751 -8.487 1.00 10.00 H new ATOM 1350 N PRO A 95 -1.242 5.963 -12.268 1.00 10.00 N ATOM 1351 CA PRO A 95 -2.606 6.086 -12.731 1.00 10.00 C ATOM 1352 C PRO A 95 -3.528 5.157 -11.946 1.00 10.00 C ATOM 1353 O PRO A 95 -3.087 4.330 -11.144 1.00 10.00 O ATOM 1354 CB PRO A 95 -2.555 5.668 -14.199 1.00 10.00 C ATOM 1355 CG PRO A 95 -1.453 4.607 -14.207 1.00 10.00 C ATOM 1356 CD PRO A 95 -0.451 5.171 -13.198 1.00 10.00 C ATOM 0 HA PRO A 95 -2.995 7.096 -12.599 1.00 10.00 H new ATOM 0 HB2 PRO A 95 -3.509 5.264 -14.539 1.00 10.00 H new ATOM 0 HB3 PRO A 95 -2.314 6.507 -14.851 1.00 10.00 H new ATOM 0 HG2 PRO A 95 -1.828 3.629 -13.905 1.00 10.00 H new ATOM 0 HG3 PRO A 95 -1.011 4.487 -15.196 1.00 10.00 H new ATOM 0 HD2 PRO A 95 0.078 4.371 -12.681 1.00 10.00 H new ATOM 0 HD3 PRO A 95 0.303 5.783 -13.693 1.00 10.00 H new ATOM 1364 N ALA A 96 -4.822 5.257 -12.256 1.00 10.00 N ATOM 1365 CA ALA A 96 -5.773 4.217 -11.924 1.00 10.00 C ATOM 1366 C ALA A 96 -5.191 2.854 -12.290 1.00 10.00 C ATOM 1367 O ALA A 96 -4.687 2.697 -13.399 1.00 10.00 O ATOM 1368 CB ALA A 96 -7.089 4.450 -12.671 1.00 10.00 C ATOM 0 H ALA A 96 -5.229 6.057 -12.740 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.973 4.242 -10.853 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -7.797 3.662 -12.414 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -7.503 5.417 -12.386 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -6.905 4.437 -13.745 1.00 10.00 H new ATOM 1374 N ARG A 97 -5.239 1.923 -11.333 1.00 10.00 N ATOM 1375 CA ARG A 97 -4.750 0.551 -11.345 1.00 10.00 C ATOM 1376 C ARG A 97 -3.250 0.446 -11.605 1.00 10.00 C ATOM 1377 O ARG A 97 -2.776 -0.581 -12.088 1.00 10.00 O ATOM 1378 CB ARG A 97 -5.578 -0.369 -12.248 1.00 10.00 C ATOM 1379 CG ARG A 97 -5.407 -0.036 -13.729 1.00 10.00 C ATOM 1380 CD ARG A 97 -5.291 -1.295 -14.579 1.00 10.00 C ATOM 1381 NE ARG A 97 -5.262 -0.943 -16.007 1.00 10.00 N ATOM 1382 CZ ARG A 97 -5.150 -1.819 -17.017 1.00 10.00 C ATOM 1383 NH1 ARG A 97 -5.053 -3.125 -16.751 1.00 10.00 N ATOM 1384 NH2 ARG A 97 -5.135 -1.383 -18.282 1.00 10.00 N ATOM 0 H ARG A 97 -5.670 2.142 -10.435 1.00 10.00 H new ATOM 0 HA ARG A 97 -4.894 0.183 -10.329 1.00 10.00 H new ATOM 0 HB2 ARG A 97 -5.285 -1.404 -12.075 1.00 10.00 H new ATOM 0 HB3 ARG A 97 -6.631 -0.287 -11.979 1.00 10.00 H new ATOM 0 HG2 ARG A 97 -6.256 0.556 -14.069 1.00 10.00 H new ATOM 0 HG3 ARG A 97 -4.516 0.578 -13.864 1.00 10.00 H new ATOM 0 HD2 ARG A 97 -4.385 -1.840 -14.313 1.00 10.00 H new ATOM 0 HD3 ARG A 97 -6.133 -1.958 -14.377 1.00 10.00 H new ATOM 0 HE ARG A 97 -5.333 0.045 -16.248 1.00 10.00 H new ATOM 0 HH11 ARG A 97 -5.064 -3.451 -15.785 1.00 10.00 H new ATOM 0 HH12 ARG A 97 -4.968 -3.796 -17.514 1.00 10.00 H new ATOM 0 HH21 ARG A 97 -5.209 -0.385 -18.478 1.00 10.00 H new ATOM 0 HH22 ARG A 97 -5.050 -2.049 -19.050 1.00 10.00 H new ATOM 1398 N GLY A 98 -2.489 1.486 -11.265 1.00 10.00 N ATOM 1399 CA GLY A 98 -1.050 1.363 -11.222 1.00 10.00 C ATOM 1400 C GLY A 98 -0.621 0.283 -10.220 1.00 10.00 C ATOM 1401 O GLY A 98 -1.232 0.110 -9.163 1.00 10.00 O ATOM 0 H GLY A 98 -2.848 2.409 -11.020 1.00 10.00 H new ATOM 0 HA2 GLY A 98 -0.673 1.114 -12.214 1.00 10.00 H new ATOM 0 HA3 GLY A 98 -0.608 2.319 -10.943 1.00 10.00 H new ATOM 1405 N THR A 99 0.454 -0.423 -10.562 1.00 10.00 N ATOM 1406 CA THR A 99 1.087 -1.431 -9.727 1.00 10.00 C ATOM 1407 C THR A 99 2.566 -1.068 -9.698 1.00 10.00 C ATOM 1408 O THR A 99 3.422 -1.786 -10.218 1.00 10.00 O ATOM 1409 CB THR A 99 0.822 -2.837 -10.287 1.00 10.00 C ATOM 1410 OG1 THR A 99 -0.556 -2.984 -10.565 1.00 10.00 O ATOM 1411 CG2 THR A 99 1.226 -3.922 -9.283 1.00 10.00 C ATOM 0 H THR A 99 0.922 -0.302 -11.460 1.00 10.00 H new ATOM 0 HA THR A 99 0.687 -1.449 -8.713 1.00 10.00 H new ATOM 0 HB THR A 99 1.416 -2.951 -11.194 1.00 10.00 H new ATOM 0 HG1 THR A 99 -0.724 -3.880 -10.924 1.00 10.00 H new ATOM 0 HG21 THR A 99 1.026 -4.905 -9.709 1.00 10.00 H new ATOM 0 HG22 THR A 99 2.289 -3.833 -9.059 1.00 10.00 H new ATOM 0 HG23 THR A 99 0.651 -3.801 -8.365 1.00 10.00 H new ATOM 1419 N LEU A 100 2.874 0.082 -9.104 1.00 10.00 N ATOM 1420 CA LEU A 100 4.219 0.610 -9.166 1.00 10.00 C ATOM 1421 C LEU A 100 4.991 -0.159 -8.107 1.00 10.00 C ATOM 1422 O LEU A 100 4.515 -0.318 -6.988 1.00 10.00 O ATOM 1423 CB LEU A 100 4.189 2.111 -8.873 1.00 10.00 C ATOM 1424 CG LEU A 100 5.597 2.717 -8.863 1.00 10.00 C ATOM 1425 CD1 LEU A 100 6.094 2.896 -10.297 1.00 10.00 C ATOM 1426 CD2 LEU A 100 5.588 4.058 -8.132 1.00 10.00 C ATOM 0 H LEU A 100 2.212 0.656 -8.581 1.00 10.00 H new ATOM 0 HA LEU A 100 4.683 0.494 -10.145 1.00 10.00 H new ATOM 0 HB2 LEU A 100 3.581 2.616 -9.624 1.00 10.00 H new ATOM 0 HB3 LEU A 100 3.712 2.284 -7.908 1.00 10.00 H new ATOM 0 HG LEU A 100 6.272 2.041 -8.338 1.00 10.00 H new ATOM 0 HD11 LEU A 100 7.095 3.327 -10.284 1.00 10.00 H new ATOM 0 HD12 LEU A 100 6.122 1.927 -10.796 1.00 10.00 H new ATOM 0 HD13 LEU A 100 5.419 3.562 -10.835 1.00 10.00 H new ATOM 0 HD21 LEU A 100 6.594 4.479 -8.131 1.00 10.00 H new ATOM 0 HD22 LEU A 100 4.908 4.744 -8.638 1.00 10.00 H new ATOM 0 HD23 LEU A 100 5.256 3.910 -7.104 1.00 10.00 H new ATOM 1438 N THR A 101 6.135 -0.710 -8.496 1.00 10.00 N ATOM 1439 CA THR A 101 6.778 -1.809 -7.805 1.00 10.00 C ATOM 1440 C THR A 101 8.168 -1.303 -7.470 1.00 10.00 C ATOM 1441 O THR A 101 9.068 -1.347 -8.306 1.00 10.00 O ATOM 1442 CB THR A 101 6.765 -3.040 -8.723 1.00 10.00 C ATOM 1443 OG1 THR A 101 5.426 -3.378 -9.045 1.00 10.00 O ATOM 1444 CG2 THR A 101 7.404 -4.252 -8.038 1.00 10.00 C ATOM 0 H THR A 101 6.648 -0.395 -9.319 1.00 10.00 H new ATOM 0 HA THR A 101 6.279 -2.121 -6.887 1.00 10.00 H new ATOM 0 HB THR A 101 7.333 -2.790 -9.619 1.00 10.00 H new ATOM 0 HG1 THR A 101 5.024 -2.655 -9.571 1.00 10.00 H new ATOM 0 HG21 THR A 101 7.379 -5.107 -8.714 1.00 10.00 H new ATOM 0 HG22 THR A 101 8.438 -4.022 -7.782 1.00 10.00 H new ATOM 0 HG23 THR A 101 6.850 -4.491 -7.130 1.00 10.00 H new ATOM 1452 N LEU A 102 8.312 -0.753 -6.268 1.00 10.00 N ATOM 1453 CA LEU A 102 9.435 0.087 -5.929 1.00 10.00 C ATOM 1454 C LEU A 102 10.614 -0.826 -5.619 1.00 10.00 C ATOM 1455 O LEU A 102 10.508 -1.699 -4.757 1.00 10.00 O ATOM 1456 CB LEU A 102 9.105 0.993 -4.732 1.00 10.00 C ATOM 1457 CG LEU A 102 8.211 2.192 -5.097 1.00 10.00 C ATOM 1458 CD1 LEU A 102 6.757 1.782 -5.358 1.00 10.00 C ATOM 1459 CD2 LEU A 102 8.219 3.200 -3.944 1.00 10.00 C ATOM 0 H LEU A 102 7.647 -0.883 -5.506 1.00 10.00 H new ATOM 0 HA LEU A 102 9.679 0.747 -6.762 1.00 10.00 H new ATOM 0 HB2 LEU A 102 8.608 0.400 -3.964 1.00 10.00 H new ATOM 0 HB3 LEU A 102 10.035 1.362 -4.299 1.00 10.00 H new ATOM 0 HG LEU A 102 8.616 2.625 -6.012 1.00 10.00 H new ATOM 0 HD11 LEU A 102 6.170 2.665 -5.611 1.00 10.00 H new ATOM 0 HD12 LEU A 102 6.722 1.073 -6.185 1.00 10.00 H new ATOM 0 HD13 LEU A 102 6.344 1.316 -4.463 1.00 10.00 H new ATOM 0 HD21 LEU A 102 7.587 4.050 -4.200 1.00 10.00 H new ATOM 0 HD22 LEU A 102 7.838 2.723 -3.041 1.00 10.00 H new ATOM 0 HD23 LEU A 102 9.238 3.545 -3.770 1.00 10.00 H new ATOM 1471 N GLN A 103 11.713 -0.645 -6.350 1.00 10.00 N ATOM 1472 CA GLN A 103 12.891 -1.489 -6.302 1.00 10.00 C ATOM 1473 C GLN A 103 14.105 -0.646 -6.678 1.00 10.00 C ATOM 1474 O GLN A 103 13.988 0.336 -7.412 1.00 10.00 O ATOM 1475 CB GLN A 103 12.715 -2.673 -7.257 1.00 10.00 C ATOM 1476 CG GLN A 103 12.798 -2.214 -8.717 1.00 10.00 C ATOM 1477 CD GLN A 103 12.080 -3.175 -9.644 1.00 10.00 C ATOM 1478 OE1 GLN A 103 12.688 -4.065 -10.228 1.00 10.00 O ATOM 1479 NE2 GLN A 103 10.775 -2.997 -9.786 1.00 10.00 N ATOM 0 H GLN A 103 11.804 0.124 -7.014 1.00 10.00 H new ATOM 0 HA GLN A 103 13.037 -1.890 -5.299 1.00 10.00 H new ATOM 0 HB2 GLN A 103 13.484 -3.420 -7.062 1.00 10.00 H new ATOM 0 HB3 GLN A 103 11.753 -3.152 -7.076 1.00 10.00 H new ATOM 0 HG2 GLN A 103 12.361 -1.220 -8.812 1.00 10.00 H new ATOM 0 HG3 GLN A 103 13.843 -2.132 -9.015 1.00 10.00 H new ATOM 0 HE21 GLN A 103 10.305 -2.245 -9.283 1.00 10.00 H new ATOM 0 HE22 GLN A 103 10.240 -3.612 -10.399 1.00 10.00 H new ATOM 1488 N ARG A 104 15.279 -1.055 -6.200 1.00 10.00 N ATOM 1489 CA ARG A 104 16.471 -0.209 -6.172 1.00 10.00 C ATOM 1490 C ARG A 104 16.975 0.228 -7.556 1.00 10.00 C ATOM 1491 O ARG A 104 17.880 1.060 -7.633 1.00 10.00 O ATOM 1492 CB ARG A 104 17.593 -0.888 -5.373 1.00 10.00 C ATOM 1493 CG ARG A 104 18.605 0.145 -4.841 1.00 10.00 C ATOM 1494 CD ARG A 104 20.034 -0.123 -5.323 1.00 10.00 C ATOM 1495 NE ARG A 104 20.116 -0.252 -6.789 1.00 10.00 N ATOM 1496 CZ ARG A 104 20.849 -1.154 -7.468 1.00 10.00 C ATOM 1497 NH1 ARG A 104 21.435 -2.191 -6.858 1.00 10.00 N ATOM 1498 NH2 ARG A 104 21.004 -1.021 -8.787 1.00 10.00 N ATOM 0 H ARG A 104 15.431 -1.989 -5.819 1.00 10.00 H new ATOM 0 HA ARG A 104 16.167 0.711 -5.673 1.00 10.00 H new ATOM 0 HB2 ARG A 104 17.164 -1.443 -4.539 1.00 10.00 H new ATOM 0 HB3 ARG A 104 18.107 -1.611 -6.006 1.00 10.00 H new ATOM 0 HG2 ARG A 104 18.300 1.142 -5.158 1.00 10.00 H new ATOM 0 HG3 ARG A 104 18.586 0.137 -3.751 1.00 10.00 H new ATOM 0 HD2 ARG A 104 20.684 0.689 -4.995 1.00 10.00 H new ATOM 0 HD3 ARG A 104 20.406 -1.036 -4.859 1.00 10.00 H new ATOM 0 HE ARG A 104 19.565 0.405 -7.342 1.00 10.00 H new ATOM 0 HH11 ARG A 104 21.332 -2.315 -5.851 1.00 10.00 H new ATOM 0 HH12 ARG A 104 21.984 -2.858 -7.400 1.00 10.00 H new ATOM 0 HH21 ARG A 104 20.568 -0.239 -9.275 1.00 10.00 H new ATOM 0 HH22 ARG A 104 21.558 -1.702 -9.307 1.00 10.00 H new ATOM 1512 N ASP A 105 16.423 -0.316 -8.643 1.00 10.00 N ATOM 1513 CA ASP A 105 16.712 0.152 -9.992 1.00 10.00 C ATOM 1514 C ASP A 105 15.457 0.104 -10.870 1.00 10.00 C ATOM 1515 O ASP A 105 15.518 -0.214 -12.054 1.00 10.00 O ATOM 1516 CB ASP A 105 17.903 -0.630 -10.570 1.00 10.00 C ATOM 1517 CG ASP A 105 18.904 0.334 -11.184 1.00 10.00 C ATOM 1518 OD1 ASP A 105 18.688 0.743 -12.341 1.00 10.00 O ATOM 1519 OD2 ASP A 105 19.865 0.664 -10.453 1.00 10.00 O ATOM 0 H ASP A 105 15.763 -1.093 -8.608 1.00 10.00 H new ATOM 0 HA ASP A 105 17.008 1.201 -9.964 1.00 10.00 H new ATOM 0 HB2 ASP A 105 18.382 -1.214 -9.784 1.00 10.00 H new ATOM 0 HB3 ASP A 105 17.555 -1.336 -11.324 1.00 10.00 H new ATOM 1524 N GLY A 106 14.296 0.429 -10.291 1.00 10.00 N ATOM 1525 CA GLY A 106 13.056 0.470 -11.051 1.00 10.00 C ATOM 1526 C GLY A 106 11.980 1.197 -10.267 1.00 10.00 C ATOM 1527 O GLY A 106 10.959 0.608 -9.914 1.00 10.00 O ATOM 0 H GLY A 106 14.196 0.665 -9.304 1.00 10.00 H new ATOM 0 HA2 GLY A 106 13.222 0.972 -12.004 1.00 10.00 H new ATOM 0 HA3 GLY A 106 12.727 -0.544 -11.278 1.00 10.00 H new ATOM 1531 N ASP A 107 12.231 2.492 -10.052 1.00 10.00 N ATOM 1532 CA ASP A 107 11.398 3.416 -9.291 1.00 10.00 C ATOM 1533 C ASP A 107 11.459 3.064 -7.811 1.00 10.00 C ATOM 1534 O ASP A 107 11.503 1.890 -7.468 1.00 10.00 O ATOM 1535 CB ASP A 107 9.971 3.469 -9.855 1.00 10.00 C ATOM 1536 CG ASP A 107 9.154 4.614 -9.281 1.00 10.00 C ATOM 1537 OD1 ASP A 107 9.082 4.701 -8.040 1.00 10.00 O ATOM 1538 OD2 ASP A 107 8.609 5.375 -10.112 1.00 10.00 O ATOM 0 H ASP A 107 13.066 2.943 -10.426 1.00 10.00 H new ATOM 0 HA ASP A 107 11.786 4.429 -9.392 1.00 10.00 H new ATOM 0 HB2 ASP A 107 10.017 3.569 -10.939 1.00 10.00 H new ATOM 0 HB3 ASP A 107 9.466 2.526 -9.643 1.00 10.00 H new ATOM 1543 N HIS A 108 11.643 4.053 -6.938 1.00 10.00 N ATOM 1544 CA HIS A 108 11.857 3.801 -5.524 1.00 10.00 C ATOM 1545 C HIS A 108 11.969 5.117 -4.750 1.00 10.00 C ATOM 1546 O HIS A 108 12.119 6.189 -5.337 1.00 10.00 O ATOM 1547 CB HIS A 108 13.106 2.926 -5.286 1.00 10.00 C ATOM 1548 CG HIS A 108 14.334 3.308 -6.084 1.00 10.00 C ATOM 1549 ND1 HIS A 108 14.535 3.114 -7.436 1.00 10.00 N ATOM 1550 CD2 HIS A 108 15.525 3.713 -5.553 1.00 10.00 C ATOM 1551 CE1 HIS A 108 15.828 3.357 -7.697 1.00 10.00 C ATOM 1552 NE2 HIS A 108 16.463 3.788 -6.592 1.00 10.00 N ATOM 0 H HIS A 108 11.647 5.041 -7.193 1.00 10.00 H new ATOM 0 HA HIS A 108 10.991 3.252 -5.154 1.00 10.00 H new ATOM 0 HB2 HIS A 108 13.357 2.964 -4.226 1.00 10.00 H new ATOM 0 HB3 HIS A 108 12.852 1.891 -5.517 1.00 10.00 H new ATOM 0 HD2 HIS A 108 15.712 3.937 -4.513 1.00 10.00 H new ATOM 0 HE1 HIS A 108 16.295 3.225 -8.662 1.00 10.00 H new ATOM 0 HE2 HIS A 108 17.430 4.105 -6.524 1.00 10.00 H new ATOM 1560 N VAL A 109 11.956 5.021 -3.417 1.00 10.00 N ATOM 1561 CA VAL A 109 12.281 6.131 -2.538 1.00 10.00 C ATOM 1562 C VAL A 109 13.729 5.913 -2.125 1.00 10.00 C ATOM 1563 O VAL A 109 14.014 4.914 -1.466 1.00 10.00 O ATOM 1564 CB VAL A 109 11.361 6.148 -1.305 1.00 10.00 C ATOM 1565 CG1 VAL A 109 11.657 7.388 -0.452 1.00 10.00 C ATOM 1566 CG2 VAL A 109 9.880 6.163 -1.698 1.00 10.00 C ATOM 0 H VAL A 109 11.717 4.162 -2.922 1.00 10.00 H new ATOM 0 HA VAL A 109 12.142 7.089 -3.038 1.00 10.00 H new ATOM 0 HB VAL A 109 11.559 5.238 -0.739 1.00 10.00 H new ATOM 0 HG11 VAL A 109 11.003 7.395 0.420 1.00 10.00 H new ATOM 0 HG12 VAL A 109 12.697 7.365 -0.125 1.00 10.00 H new ATOM 0 HG13 VAL A 109 11.483 8.287 -1.044 1.00 10.00 H new ATOM 0 HG21 VAL A 109 9.265 6.175 -0.798 1.00 10.00 H new ATOM 0 HG22 VAL A 109 9.670 7.052 -2.293 1.00 10.00 H new ATOM 0 HG23 VAL A 109 9.650 5.273 -2.283 1.00 10.00 H new ATOM 1576 N MET A 110 14.625 6.821 -2.515 1.00 10.00 N ATOM 1577 CA MET A 110 16.008 6.841 -2.077 1.00 10.00 C ATOM 1578 C MET A 110 16.048 7.564 -0.731 1.00 10.00 C ATOM 1579 O MET A 110 16.094 8.791 -0.648 1.00 10.00 O ATOM 1580 CB MET A 110 16.912 7.499 -3.129 1.00 10.00 C ATOM 1581 CG MET A 110 16.786 6.796 -4.482 1.00 10.00 C ATOM 1582 SD MET A 110 17.840 7.409 -5.821 1.00 10.00 S ATOM 1583 CE MET A 110 19.480 6.954 -5.213 1.00 10.00 C ATOM 0 H MET A 110 14.397 7.578 -3.160 1.00 10.00 H new ATOM 0 HA MET A 110 16.394 5.829 -1.956 1.00 10.00 H new ATOM 0 HB2 MET A 110 16.645 8.550 -3.236 1.00 10.00 H new ATOM 0 HB3 MET A 110 17.949 7.466 -2.794 1.00 10.00 H new ATOM 0 HG2 MET A 110 17.002 5.738 -4.337 1.00 10.00 H new ATOM 0 HG3 MET A 110 15.748 6.867 -4.807 1.00 10.00 H new ATOM 0 HE1 MET A 110 20.150 6.794 -6.058 1.00 10.00 H new ATOM 0 HE2 MET A 110 19.871 7.755 -4.586 1.00 10.00 H new ATOM 0 HE3 MET A 110 19.410 6.037 -4.628 1.00 10.00 H new ATOM 1593 N LEU A 111 16.022 6.776 0.335 1.00 10.00 N ATOM 1594 CA LEU A 111 16.030 7.215 1.716 1.00 10.00 C ATOM 1595 C LEU A 111 17.478 7.512 2.106 1.00 10.00 C ATOM 1596 O LEU A 111 18.056 6.837 2.954 1.00 10.00 O ATOM 1597 CB LEU A 111 15.417 6.094 2.575 1.00 10.00 C ATOM 1598 CG LEU A 111 13.884 6.021 2.502 1.00 10.00 C ATOM 1599 CD1 LEU A 111 13.417 4.760 3.234 1.00 10.00 C ATOM 1600 CD2 LEU A 111 13.229 7.243 3.160 1.00 10.00 C ATOM 0 H LEU A 111 15.993 5.760 0.251 1.00 10.00 H new ATOM 0 HA LEU A 111 15.442 8.120 1.867 1.00 10.00 H new ATOM 0 HB2 LEU A 111 15.832 5.138 2.257 1.00 10.00 H new ATOM 0 HB3 LEU A 111 15.715 6.241 3.613 1.00 10.00 H new ATOM 0 HG LEU A 111 13.591 5.999 1.452 1.00 10.00 H new ATOM 0 HD11 LEU A 111 12.330 4.695 3.190 1.00 10.00 H new ATOM 0 HD12 LEU A 111 13.852 3.881 2.759 1.00 10.00 H new ATOM 0 HD13 LEU A 111 13.736 4.805 4.275 1.00 10.00 H new ATOM 0 HD21 LEU A 111 12.145 7.157 3.089 1.00 10.00 H new ATOM 0 HD22 LEU A 111 13.522 7.292 4.209 1.00 10.00 H new ATOM 0 HD23 LEU A 111 13.555 8.149 2.650 1.00 10.00 H new ATOM 1612 N MET A 112 18.074 8.528 1.478 1.00 10.00 N ATOM 1613 CA MET A 112 19.501 8.764 1.608 1.00 10.00 C ATOM 1614 C MET A 112 19.808 9.540 2.889 1.00 10.00 C ATOM 1615 O MET A 112 18.939 10.176 3.488 1.00 10.00 O ATOM 1616 CB MET A 112 20.030 9.516 0.379 1.00 10.00 C ATOM 1617 CG MET A 112 19.798 8.770 -0.939 1.00 10.00 C ATOM 1618 SD MET A 112 19.943 9.786 -2.434 1.00 10.00 S ATOM 1619 CE MET A 112 21.707 10.165 -2.423 1.00 10.00 C ATOM 0 H MET A 112 17.587 9.194 0.878 1.00 10.00 H new ATOM 0 HA MET A 112 20.006 7.800 1.668 1.00 10.00 H new ATOM 0 HB2 MET A 112 19.548 10.492 0.325 1.00 10.00 H new ATOM 0 HB3 MET A 112 21.098 9.694 0.504 1.00 10.00 H new ATOM 0 HG2 MET A 112 20.513 7.950 -1.005 1.00 10.00 H new ATOM 0 HG3 MET A 112 18.803 8.325 -0.916 1.00 10.00 H new ATOM 0 HE1 MET A 112 21.929 10.885 -3.211 1.00 10.00 H new ATOM 0 HE2 MET A 112 21.982 10.588 -1.457 1.00 10.00 H new ATOM 0 HE3 MET A 112 22.276 9.252 -2.595 1.00 10.00 H new ATOM 1629 N GLY A 113 21.071 9.506 3.304 1.00 10.00 N ATOM 1630 CA GLY A 113 21.543 10.169 4.499 1.00 10.00 C ATOM 1631 C GLY A 113 21.209 9.340 5.735 1.00 10.00 C ATOM 1632 O GLY A 113 20.374 9.760 6.535 1.00 10.00 O ATOM 0 H GLY A 113 21.804 9.004 2.803 1.00 10.00 H new ATOM 0 HA2 GLY A 113 22.620 10.322 4.436 1.00 10.00 H new ATOM 0 HA3 GLY A 113 21.085 11.155 4.580 1.00 10.00 H new ATOM 1636 N LEU A 114 21.873 8.190 5.902 1.00 10.00 N ATOM 1637 CA LEU A 114 21.844 7.408 7.140 1.00 10.00 C ATOM 1638 C LEU A 114 22.394 8.255 8.298 1.00 10.00 C ATOM 1639 O LEU A 114 23.568 8.141 8.644 1.00 10.00 O ATOM 1640 CB LEU A 114 22.684 6.117 6.998 1.00 10.00 C ATOM 1641 CG LEU A 114 21.994 4.873 6.414 1.00 10.00 C ATOM 1642 CD1 LEU A 114 20.809 4.411 7.261 1.00 10.00 C ATOM 1643 CD2 LEU A 114 21.566 5.026 4.958 1.00 10.00 C ATOM 0 H LEU A 114 22.451 7.773 5.172 1.00 10.00 H new ATOM 0 HA LEU A 114 20.811 7.127 7.346 1.00 10.00 H new ATOM 0 HB2 LEU A 114 23.547 6.346 6.373 1.00 10.00 H new ATOM 0 HB3 LEU A 114 23.066 5.856 7.985 1.00 10.00 H new ATOM 0 HG LEU A 114 22.765 4.103 6.440 1.00 10.00 H new ATOM 0 HD11 LEU A 114 20.357 3.530 6.805 1.00 10.00 H new ATOM 0 HD12 LEU A 114 21.154 4.164 8.265 1.00 10.00 H new ATOM 0 HD13 LEU A 114 20.069 5.210 7.318 1.00 10.00 H new ATOM 0 HD21 LEU A 114 21.088 4.106 4.621 1.00 10.00 H new ATOM 0 HD22 LEU A 114 20.863 5.854 4.871 1.00 10.00 H new ATOM 0 HD23 LEU A 114 22.442 5.227 4.341 1.00 10.00 H new ATOM 1655 N LYS A 115 21.560 9.111 8.899 1.00 10.00 N ATOM 1656 CA LYS A 115 21.979 9.959 10.013 1.00 10.00 C ATOM 1657 C LYS A 115 22.559 9.143 11.171 1.00 10.00 C ATOM 1658 O LYS A 115 23.616 9.471 11.704 1.00 10.00 O ATOM 1659 CB LYS A 115 20.855 10.899 10.468 1.00 10.00 C ATOM 1660 CG LYS A 115 19.452 10.306 10.673 1.00 10.00 C ATOM 1661 CD LYS A 115 18.389 11.211 10.020 1.00 10.00 C ATOM 1662 CE LYS A 115 16.986 10.807 10.486 1.00 10.00 C ATOM 1663 NZ LYS A 115 15.911 11.416 9.668 1.00 10.00 N ATOM 0 H LYS A 115 20.584 9.233 8.628 1.00 10.00 H new ATOM 0 HA LYS A 115 22.788 10.591 9.646 1.00 10.00 H new ATOM 0 HB2 LYS A 115 21.164 11.357 11.408 1.00 10.00 H new ATOM 0 HB3 LYS A 115 20.774 11.701 9.734 1.00 10.00 H new ATOM 0 HG2 LYS A 115 19.405 9.307 10.240 1.00 10.00 H new ATOM 0 HG3 LYS A 115 19.246 10.201 11.738 1.00 10.00 H new ATOM 0 HD2 LYS A 115 18.580 12.252 10.279 1.00 10.00 H new ATOM 0 HD3 LYS A 115 18.455 11.136 8.935 1.00 10.00 H new ATOM 0 HE2 LYS A 115 16.894 9.722 10.448 1.00 10.00 H new ATOM 0 HE3 LYS A 115 16.855 11.102 11.527 1.00 10.00 H new ATOM 0 HZ1 LYS A 115 15.047 10.843 9.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 115 15.720 12.380 10.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 115 16.211 11.453 8.673 1.00 10.00 H new ATOM 1677 N ARG A 116 21.853 8.078 11.549 1.00 10.00 N ATOM 1678 CA ARG A 116 22.416 6.941 12.275 1.00 10.00 C ATOM 1679 C ARG A 116 22.347 5.713 11.357 1.00 10.00 C ATOM 1680 O ARG A 116 21.498 5.687 10.465 1.00 10.00 O ATOM 1681 CB ARG A 116 21.636 6.680 13.579 1.00 10.00 C ATOM 1682 CG ARG A 116 22.331 7.249 14.827 1.00 10.00 C ATOM 1683 CD ARG A 116 22.263 8.775 14.934 1.00 10.00 C ATOM 1684 NE ARG A 116 20.889 9.229 15.198 1.00 10.00 N ATOM 1685 CZ ARG A 116 20.549 10.497 15.479 1.00 10.00 C ATOM 1686 NH1 ARG A 116 21.472 11.462 15.409 1.00 10.00 N ATOM 1687 NH2 ARG A 116 19.292 10.790 15.832 1.00 10.00 N ATOM 0 H ARG A 116 20.856 7.980 11.356 1.00 10.00 H new ATOM 0 HA ARG A 116 23.449 7.153 12.550 1.00 10.00 H new ATOM 0 HB2 ARG A 116 20.642 7.118 13.494 1.00 10.00 H new ATOM 0 HB3 ARG A 116 21.501 5.606 13.705 1.00 10.00 H new ATOM 0 HG2 ARG A 116 21.876 6.812 15.716 1.00 10.00 H new ATOM 0 HG3 ARG A 116 23.377 6.941 14.821 1.00 10.00 H new ATOM 0 HD2 ARG A 116 22.921 9.116 15.733 1.00 10.00 H new ATOM 0 HD3 ARG A 116 22.626 9.224 14.009 1.00 10.00 H new ATOM 0 HE ARG A 116 20.144 8.533 15.165 1.00 10.00 H new ATOM 0 HH11 ARG A 116 22.430 11.233 15.143 1.00 10.00 H new ATOM 0 HH12 ARG A 116 21.218 12.427 15.622 1.00 10.00 H new ATOM 0 HH21 ARG A 116 18.592 10.050 15.888 1.00 10.00 H new ATOM 0 HH22 ARG A 116 19.034 11.753 16.046 1.00 10.00 H new ATOM 1701 N PRO A 117 23.213 4.704 11.564 1.00 10.00 N ATOM 1702 CA PRO A 117 23.115 3.413 10.898 1.00 10.00 C ATOM 1703 C PRO A 117 21.937 2.614 11.471 1.00 10.00 C ATOM 1704 O PRO A 117 21.311 3.038 12.441 1.00 10.00 O ATOM 1705 CB PRO A 117 24.452 2.722 11.177 1.00 10.00 C ATOM 1706 CG PRO A 117 24.817 3.252 12.563 1.00 10.00 C ATOM 1707 CD PRO A 117 24.307 4.694 12.525 1.00 10.00 C ATOM 0 HA PRO A 117 22.932 3.503 9.827 1.00 10.00 H new ATOM 0 HB2 PRO A 117 24.357 1.636 11.170 1.00 10.00 H new ATOM 0 HB3 PRO A 117 25.205 2.980 10.433 1.00 10.00 H new ATOM 0 HG2 PRO A 117 24.338 2.675 13.355 1.00 10.00 H new ATOM 0 HG3 PRO A 117 25.891 3.208 12.742 1.00 10.00 H new ATOM 0 HD2 PRO A 117 23.965 5.014 13.509 1.00 10.00 H new ATOM 0 HD3 PRO A 117 25.098 5.381 12.224 1.00 10.00 H new ATOM 1715 N LEU A 118 21.649 1.458 10.864 1.00 10.00 N ATOM 1716 CA LEU A 118 20.509 0.604 11.181 1.00 10.00 C ATOM 1717 C LEU A 118 20.973 -0.831 11.395 1.00 10.00 C ATOM 1718 O LEU A 118 22.143 -1.148 11.176 1.00 10.00 O ATOM 1719 CB LEU A 118 19.504 0.634 10.029 1.00 10.00 C ATOM 1720 CG LEU A 118 19.148 2.037 9.529 1.00 10.00 C ATOM 1721 CD1 LEU A 118 18.386 1.909 8.209 1.00 10.00 C ATOM 1722 CD2 LEU A 118 18.321 2.795 10.573 1.00 10.00 C ATOM 0 H LEU A 118 22.226 1.082 10.112 1.00 10.00 H new ATOM 0 HA LEU A 118 20.039 0.974 12.092 1.00 10.00 H new ATOM 0 HB2 LEU A 118 19.908 0.058 9.197 1.00 10.00 H new ATOM 0 HB3 LEU A 118 18.590 0.134 10.349 1.00 10.00 H new ATOM 0 HG LEU A 118 20.061 2.610 9.365 1.00 10.00 H new ATOM 0 HD11 LEU A 118 18.126 2.902 7.841 1.00 10.00 H new ATOM 0 HD12 LEU A 118 19.013 1.403 7.475 1.00 10.00 H new ATOM 0 HD13 LEU A 118 17.476 1.331 8.369 1.00 10.00 H new ATOM 0 HD21 LEU A 118 18.080 3.789 10.195 1.00 10.00 H new ATOM 0 HD22 LEU A 118 17.399 2.249 10.773 1.00 10.00 H new ATOM 0 HD23 LEU A 118 18.895 2.887 11.495 1.00 10.00 H new ATOM 1734 N LYS A 119 20.040 -1.698 11.786 1.00 10.00 N ATOM 1735 CA LYS A 119 20.264 -3.098 12.066 1.00 10.00 C ATOM 1736 C LYS A 119 19.261 -3.907 11.250 1.00 10.00 C ATOM 1737 O LYS A 119 18.166 -3.441 10.944 1.00 10.00 O ATOM 1738 CB LYS A 119 20.094 -3.306 13.578 1.00 10.00 C ATOM 1739 CG LYS A 119 20.511 -4.699 14.066 1.00 10.00 C ATOM 1740 CD LYS A 119 20.428 -4.732 15.598 1.00 10.00 C ATOM 1741 CE LYS A 119 20.907 -6.084 16.145 1.00 10.00 C ATOM 1742 NZ LYS A 119 20.850 -6.132 17.622 1.00 10.00 N ATOM 0 H LYS A 119 19.067 -1.422 11.919 1.00 10.00 H new ATOM 0 HA LYS A 119 21.266 -3.427 11.788 1.00 10.00 H new ATOM 0 HB2 LYS A 119 20.683 -2.556 14.106 1.00 10.00 H new ATOM 0 HB3 LYS A 119 19.050 -3.137 13.843 1.00 10.00 H new ATOM 0 HG2 LYS A 119 19.860 -5.460 13.636 1.00 10.00 H new ATOM 0 HG3 LYS A 119 21.525 -4.926 13.738 1.00 10.00 H new ATOM 0 HD2 LYS A 119 21.036 -3.930 16.016 1.00 10.00 H new ATOM 0 HD3 LYS A 119 19.401 -4.551 15.914 1.00 10.00 H new ATOM 0 HE2 LYS A 119 20.290 -6.882 15.732 1.00 10.00 H new ATOM 0 HE3 LYS A 119 21.929 -6.268 15.815 1.00 10.00 H new ATOM 0 HZ1 LYS A 119 21.181 -7.061 17.952 1.00 10.00 H new ATOM 0 HZ2 LYS A 119 21.458 -5.387 18.017 1.00 10.00 H new ATOM 0 HZ3 LYS A 119 19.870 -5.982 17.937 1.00 10.00 H new ATOM 1756 N VAL A 120 19.635 -5.127 10.871 1.00 10.00 N ATOM 1757 CA VAL A 120 18.720 -5.998 10.158 1.00 10.00 C ATOM 1758 C VAL A 120 17.618 -6.436 11.128 1.00 10.00 C ATOM 1759 O VAL A 120 17.914 -6.826 12.257 1.00 10.00 O ATOM 1760 CB VAL A 120 19.478 -7.212 9.586 1.00 10.00 C ATOM 1761 CG1 VAL A 120 18.531 -8.151 8.826 1.00 10.00 C ATOM 1762 CG2 VAL A 120 20.599 -6.779 8.633 1.00 10.00 C ATOM 0 H VAL A 120 20.557 -5.527 11.046 1.00 10.00 H new ATOM 0 HA VAL A 120 18.270 -5.470 9.317 1.00 10.00 H new ATOM 0 HB VAL A 120 19.910 -7.736 10.438 1.00 10.00 H new ATOM 0 HG11 VAL A 120 19.095 -8.998 8.434 1.00 10.00 H new ATOM 0 HG12 VAL A 120 17.757 -8.513 9.503 1.00 10.00 H new ATOM 0 HG13 VAL A 120 18.068 -7.611 8.000 1.00 10.00 H new ATOM 0 HG21 VAL A 120 21.111 -7.661 8.249 1.00 10.00 H new ATOM 0 HG22 VAL A 120 20.173 -6.217 7.802 1.00 10.00 H new ATOM 0 HG23 VAL A 120 21.310 -6.151 9.169 1.00 10.00 H new ATOM 1772 N GLY A 121 16.357 -6.384 10.694 1.00 10.00 N ATOM 1773 CA GLY A 121 15.218 -6.796 11.496 1.00 10.00 C ATOM 1774 C GLY A 121 14.794 -5.689 12.456 1.00 10.00 C ATOM 1775 O GLY A 121 14.231 -5.973 13.510 1.00 10.00 O ATOM 0 H GLY A 121 16.102 -6.050 9.765 1.00 10.00 H new ATOM 0 HA2 GLY A 121 14.384 -7.055 10.843 1.00 10.00 H new ATOM 0 HA3 GLY A 121 15.472 -7.693 12.060 1.00 10.00 H new ATOM 1779 N GLU A 122 15.040 -4.430 12.080 1.00 10.00 N ATOM 1780 CA GLU A 122 14.511 -3.286 12.794 1.00 10.00 C ATOM 1781 C GLU A 122 13.050 -3.092 12.399 1.00 10.00 C ATOM 1782 O GLU A 122 12.427 -3.910 11.718 1.00 10.00 O ATOM 1783 CB GLU A 122 15.345 -2.039 12.454 1.00 10.00 C ATOM 1784 CG GLU A 122 15.755 -1.182 13.653 1.00 10.00 C ATOM 1785 CD GLU A 122 16.732 -0.108 13.187 1.00 10.00 C ATOM 1786 OE1 GLU A 122 17.843 -0.502 12.769 1.00 10.00 O ATOM 1787 OE2 GLU A 122 16.332 1.074 13.215 1.00 10.00 O ATOM 0 H GLU A 122 15.612 -4.186 11.272 1.00 10.00 H new ATOM 0 HA GLU A 122 14.566 -3.450 13.870 1.00 10.00 H new ATOM 0 HB2 GLU A 122 16.246 -2.356 11.930 1.00 10.00 H new ATOM 0 HB3 GLU A 122 14.776 -1.418 11.762 1.00 10.00 H new ATOM 0 HG2 GLU A 122 14.876 -0.721 14.104 1.00 10.00 H new ATOM 0 HG3 GLU A 122 16.217 -1.804 14.419 1.00 10.00 H new ATOM 1794 N THR A 123 12.518 -1.954 12.811 1.00 10.00 N ATOM 1795 CA THR A 123 11.146 -1.536 12.572 1.00 10.00 C ATOM 1796 C THR A 123 11.128 -0.011 12.624 1.00 10.00 C ATOM 1797 O THR A 123 10.842 0.584 13.659 1.00 10.00 O ATOM 1798 CB THR A 123 10.203 -2.190 13.598 1.00 10.00 C ATOM 1799 OG1 THR A 123 10.341 -3.599 13.566 1.00 10.00 O ATOM 1800 CG2 THR A 123 8.736 -1.867 13.302 1.00 10.00 C ATOM 0 H THR A 123 13.052 -1.267 13.343 1.00 10.00 H new ATOM 0 HA THR A 123 10.786 -1.860 11.596 1.00 10.00 H new ATOM 0 HB THR A 123 10.478 -1.792 14.575 1.00 10.00 H new ATOM 0 HG1 THR A 123 9.737 -4.002 14.224 1.00 10.00 H new ATOM 0 HG21 THR A 123 8.101 -2.346 14.047 1.00 10.00 H new ATOM 0 HG22 THR A 123 8.587 -0.788 13.337 1.00 10.00 H new ATOM 0 HG23 THR A 123 8.475 -2.237 12.311 1.00 10.00 H new ATOM 1808 N VAL A 124 11.485 0.617 11.505 1.00 10.00 N ATOM 1809 CA VAL A 124 11.613 2.060 11.407 1.00 10.00 C ATOM 1810 C VAL A 124 10.261 2.622 10.990 1.00 10.00 C ATOM 1811 O VAL A 124 9.701 2.193 9.985 1.00 10.00 O ATOM 1812 CB VAL A 124 12.724 2.394 10.399 1.00 10.00 C ATOM 1813 CG1 VAL A 124 12.633 3.836 9.892 1.00 10.00 C ATOM 1814 CG2 VAL A 124 14.088 2.173 11.065 1.00 10.00 C ATOM 0 H VAL A 124 11.695 0.128 10.635 1.00 10.00 H new ATOM 0 HA VAL A 124 11.893 2.510 12.360 1.00 10.00 H new ATOM 0 HB VAL A 124 12.603 1.736 9.538 1.00 10.00 H new ATOM 0 HG11 VAL A 124 13.439 4.024 9.183 1.00 10.00 H new ATOM 0 HG12 VAL A 124 11.673 3.988 9.399 1.00 10.00 H new ATOM 0 HG13 VAL A 124 12.722 4.524 10.733 1.00 10.00 H new ATOM 0 HG21 VAL A 124 14.882 2.408 10.356 1.00 10.00 H new ATOM 0 HG22 VAL A 124 14.177 2.821 11.937 1.00 10.00 H new ATOM 0 HG23 VAL A 124 14.176 1.132 11.377 1.00 10.00 H new ATOM 1824 N ASN A 125 9.725 3.585 11.742 1.00 10.00 N ATOM 1825 CA ASN A 125 8.514 4.262 11.306 1.00 10.00 C ATOM 1826 C ASN A 125 8.808 5.155 10.105 1.00 10.00 C ATOM 1827 O ASN A 125 9.911 5.681 9.956 1.00 10.00 O ATOM 1828 CB ASN A 125 7.858 5.062 12.440 1.00 10.00 C ATOM 1829 CG ASN A 125 6.956 4.190 13.307 1.00 10.00 C ATOM 1830 OD1 ASN A 125 7.190 4.039 14.500 1.00 10.00 O ATOM 1831 ND2 ASN A 125 5.907 3.616 12.721 1.00 10.00 N ATOM 0 H ASN A 125 10.103 3.904 12.634 1.00 10.00 H new ATOM 0 HA ASN A 125 7.799 3.496 11.006 1.00 10.00 H new ATOM 0 HB2 ASN A 125 8.632 5.512 13.061 1.00 10.00 H new ATOM 0 HB3 ASN A 125 7.274 5.879 12.016 1.00 10.00 H new ATOM 0 HD21 ASN A 125 5.273 3.033 13.268 1.00 10.00 H new ATOM 0 HD22 ASN A 125 5.737 3.760 11.726 1.00 10.00 H new ATOM 1838 N ILE A 126 7.796 5.342 9.262 1.00 10.00 N ATOM 1839 CA ILE A 126 7.790 6.308 8.179 1.00 10.00 C ATOM 1840 C ILE A 126 6.492 7.090 8.309 1.00 10.00 C ATOM 1841 O ILE A 126 5.495 6.516 8.744 1.00 10.00 O ATOM 1842 CB ILE A 126 7.895 5.579 6.826 1.00 10.00 C ATOM 1843 CG1 ILE A 126 8.160 6.551 5.662 1.00 10.00 C ATOM 1844 CG2 ILE A 126 6.651 4.735 6.535 1.00 10.00 C ATOM 1845 CD1 ILE A 126 8.168 5.835 4.308 1.00 10.00 C ATOM 0 H ILE A 126 6.931 4.805 9.320 1.00 10.00 H new ATOM 0 HA ILE A 126 8.640 6.988 8.230 1.00 10.00 H new ATOM 0 HB ILE A 126 8.752 4.910 6.908 1.00 10.00 H new ATOM 0 HG12 ILE A 126 7.395 7.328 5.657 1.00 10.00 H new ATOM 0 HG13 ILE A 126 9.118 7.048 5.815 1.00 10.00 H new ATOM 0 HG21 ILE A 126 6.766 4.238 5.572 1.00 10.00 H new ATOM 0 HG22 ILE A 126 6.528 3.986 7.318 1.00 10.00 H new ATOM 0 HG23 ILE A 126 5.772 5.379 6.508 1.00 10.00 H new ATOM 0 HD11 ILE A 126 8.358 6.558 3.515 1.00 10.00 H new ATOM 0 HD12 ILE A 126 8.950 5.076 4.302 1.00 10.00 H new ATOM 0 HD13 ILE A 126 7.201 5.360 4.142 1.00 10.00 H new ATOM 1857 N THR A 127 6.495 8.361 7.916 1.00 10.00 N ATOM 1858 CA THR A 127 5.284 9.123 7.696 1.00 10.00 C ATOM 1859 C THR A 127 5.318 9.640 6.263 1.00 10.00 C ATOM 1860 O THR A 127 6.218 10.400 5.901 1.00 10.00 O ATOM 1861 CB THR A 127 5.131 10.248 8.727 1.00 10.00 C ATOM 1862 OG1 THR A 127 5.309 9.723 10.029 1.00 10.00 O ATOM 1863 CG2 THR A 127 3.727 10.857 8.632 1.00 10.00 C ATOM 0 H THR A 127 7.350 8.890 7.742 1.00 10.00 H new ATOM 0 HA THR A 127 4.406 8.491 7.830 1.00 10.00 H new ATOM 0 HB THR A 127 5.879 11.015 8.526 1.00 10.00 H new ATOM 0 HG1 THR A 127 5.213 10.442 10.688 1.00 10.00 H new ATOM 0 HG21 THR A 127 3.626 11.655 9.367 1.00 10.00 H new ATOM 0 HG22 THR A 127 3.573 11.263 7.632 1.00 10.00 H new ATOM 0 HG23 THR A 127 2.982 10.086 8.829 1.00 10.00 H new ATOM 1871 N LEU A 128 4.353 9.214 5.449 1.00 10.00 N ATOM 1872 CA LEU A 128 4.116 9.813 4.146 1.00 10.00 C ATOM 1873 C LEU A 128 3.122 10.960 4.287 1.00 10.00 C ATOM 1874 O LEU A 128 2.364 11.012 5.258 1.00 10.00 O ATOM 1875 CB LEU A 128 3.694 8.772 3.102 1.00 10.00 C ATOM 1876 CG LEU A 128 2.456 7.920 3.421 1.00 10.00 C ATOM 1877 CD1 LEU A 128 1.174 8.665 3.035 1.00 10.00 C ATOM 1878 CD2 LEU A 128 2.523 6.621 2.613 1.00 10.00 C ATOM 0 H LEU A 128 3.719 8.448 5.677 1.00 10.00 H new ATOM 0 HA LEU A 128 5.051 10.227 3.769 1.00 10.00 H new ATOM 0 HB2 LEU A 128 3.513 9.291 2.161 1.00 10.00 H new ATOM 0 HB3 LEU A 128 4.535 8.098 2.938 1.00 10.00 H new ATOM 0 HG LEU A 128 2.442 7.711 4.491 1.00 10.00 H new ATOM 0 HD11 LEU A 128 0.308 8.045 3.269 1.00 10.00 H new ATOM 0 HD12 LEU A 128 1.113 9.599 3.594 1.00 10.00 H new ATOM 0 HD13 LEU A 128 1.187 8.882 1.967 1.00 10.00 H new ATOM 0 HD21 LEU A 128 1.648 6.010 2.833 1.00 10.00 H new ATOM 0 HD22 LEU A 128 2.543 6.855 1.549 1.00 10.00 H new ATOM 0 HD23 LEU A 128 3.426 6.072 2.881 1.00 10.00 H new ATOM 1890 N LYS A 129 3.164 11.883 3.323 1.00 10.00 N ATOM 1891 CA LYS A 129 2.321 13.067 3.247 1.00 10.00 C ATOM 1892 C LYS A 129 2.278 13.520 1.788 1.00 10.00 C ATOM 1893 O LYS A 129 3.086 14.346 1.373 1.00 10.00 O ATOM 1894 CB LYS A 129 2.853 14.149 4.204 1.00 10.00 C ATOM 1895 CG LYS A 129 1.877 15.328 4.386 1.00 10.00 C ATOM 1896 CD LYS A 129 2.279 16.601 3.624 1.00 10.00 C ATOM 1897 CE LYS A 129 3.510 17.278 4.250 1.00 10.00 C ATOM 1898 NZ LYS A 129 3.951 18.453 3.472 1.00 10.00 N ATOM 0 H LYS A 129 3.817 11.818 2.542 1.00 10.00 H new ATOM 0 HA LYS A 129 1.301 12.856 3.566 1.00 10.00 H new ATOM 0 HB2 LYS A 129 3.055 13.699 5.176 1.00 10.00 H new ATOM 0 HB3 LYS A 129 3.803 14.526 3.824 1.00 10.00 H new ATOM 0 HG2 LYS A 129 0.885 15.018 4.056 1.00 10.00 H new ATOM 0 HG3 LYS A 129 1.801 15.562 5.448 1.00 10.00 H new ATOM 0 HD2 LYS A 129 2.491 16.350 2.585 1.00 10.00 H new ATOM 0 HD3 LYS A 129 1.443 17.301 3.619 1.00 10.00 H new ATOM 0 HE2 LYS A 129 3.276 17.585 5.269 1.00 10.00 H new ATOM 0 HE3 LYS A 129 4.326 16.558 4.314 1.00 10.00 H new ATOM 0 HZ1 LYS A 129 4.783 18.879 3.928 1.00 10.00 H new ATOM 0 HZ2 LYS A 129 4.200 18.157 2.507 1.00 10.00 H new ATOM 0 HZ3 LYS A 129 3.182 19.152 3.432 1.00 10.00 H new ATOM 1912 N ALA A 130 1.364 12.961 0.993 1.00 10.00 N ATOM 1913 CA ALA A 130 1.267 13.302 -0.420 1.00 10.00 C ATOM 1914 C ALA A 130 0.455 14.589 -0.595 1.00 10.00 C ATOM 1915 O ALA A 130 -0.348 14.942 0.267 1.00 10.00 O ATOM 1916 CB ALA A 130 0.641 12.141 -1.197 1.00 10.00 C ATOM 0 H ALA A 130 0.682 12.271 1.307 1.00 10.00 H new ATOM 0 HA ALA A 130 2.266 13.476 -0.819 1.00 10.00 H new ATOM 0 HB1 ALA A 130 0.572 12.405 -2.252 1.00 10.00 H new ATOM 0 HB2 ALA A 130 1.261 11.252 -1.085 1.00 10.00 H new ATOM 0 HB3 ALA A 130 -0.357 11.939 -0.808 1.00 10.00 H new ATOM 1922 N THR A 131 0.648 15.282 -1.723 1.00 10.00 N ATOM 1923 CA THR A 131 0.026 16.573 -2.020 1.00 10.00 C ATOM 1924 C THR A 131 -1.502 16.531 -1.895 1.00 10.00 C ATOM 1925 O THR A 131 -2.112 17.501 -1.453 1.00 10.00 O ATOM 1926 CB THR A 131 0.510 17.084 -3.390 1.00 10.00 C ATOM 1927 OG1 THR A 131 0.014 18.377 -3.658 1.00 10.00 O ATOM 1928 CG2 THR A 131 0.090 16.175 -4.548 1.00 10.00 C ATOM 0 H THR A 131 1.256 14.951 -2.472 1.00 10.00 H new ATOM 0 HA THR A 131 0.346 17.293 -1.266 1.00 10.00 H new ATOM 0 HB THR A 131 1.598 17.094 -3.324 1.00 10.00 H new ATOM 0 HG1 THR A 131 0.338 18.677 -4.533 1.00 10.00 H new ATOM 0 HG21 THR A 131 0.460 16.587 -5.487 1.00 10.00 H new ATOM 0 HG22 THR A 131 0.508 15.179 -4.399 1.00 10.00 H new ATOM 0 HG23 THR A 131 -0.997 16.110 -4.584 1.00 10.00 H new ATOM 1936 N ASP A 132 -2.110 15.384 -2.212 1.00 10.00 N ATOM 1937 CA ASP A 132 -3.543 15.152 -2.058 1.00 10.00 C ATOM 1938 C ASP A 132 -4.010 15.211 -0.590 1.00 10.00 C ATOM 1939 O ASP A 132 -5.202 15.067 -0.327 1.00 10.00 O ATOM 1940 CB ASP A 132 -3.896 13.777 -2.659 1.00 10.00 C ATOM 1941 CG ASP A 132 -4.584 13.827 -4.015 1.00 10.00 C ATOM 1942 OD1 ASP A 132 -4.179 14.653 -4.859 1.00 10.00 O ATOM 1943 OD2 ASP A 132 -5.464 12.957 -4.220 1.00 10.00 O ATOM 0 H ASP A 132 -1.609 14.579 -2.589 1.00 10.00 H new ATOM 0 HA ASP A 132 -4.062 15.953 -2.585 1.00 10.00 H new ATOM 0 HB2 ASP A 132 -2.981 13.193 -2.754 1.00 10.00 H new ATOM 0 HB3 ASP A 132 -4.542 13.246 -1.960 1.00 10.00 H new ATOM 1948 N GLY A 133 -3.091 15.341 0.372 1.00 10.00 N ATOM 1949 CA GLY A 133 -3.381 15.300 1.796 1.00 10.00 C ATOM 1950 C GLY A 133 -3.288 13.876 2.344 1.00 10.00 C ATOM 1951 O GLY A 133 -3.621 13.640 3.506 1.00 10.00 O ATOM 0 H GLY A 133 -2.101 15.481 0.169 1.00 10.00 H new ATOM 0 HA2 GLY A 133 -2.681 15.943 2.330 1.00 10.00 H new ATOM 0 HA3 GLY A 133 -4.380 15.696 1.977 1.00 10.00 H new ATOM 1955 N ARG A 134 -2.780 12.924 1.550 1.00 10.00 N ATOM 1956 CA ARG A 134 -2.738 11.527 1.953 1.00 10.00 C ATOM 1957 C ARG A 134 -1.545 11.398 2.886 1.00 10.00 C ATOM 1958 O ARG A 134 -0.404 11.286 2.438 1.00 10.00 O ATOM 1959 CB ARG A 134 -2.588 10.582 0.752 1.00 10.00 C ATOM 1960 CG ARG A 134 -3.665 10.769 -0.323 1.00 10.00 C ATOM 1961 CD ARG A 134 -5.019 10.113 0.012 1.00 10.00 C ATOM 1962 NE ARG A 134 -6.157 10.826 -0.603 1.00 10.00 N ATOM 1963 CZ ARG A 134 -6.208 11.261 -1.873 1.00 10.00 C ATOM 1964 NH1 ARG A 134 -5.375 10.779 -2.794 1.00 10.00 N ATOM 1965 NH2 ARG A 134 -7.038 12.238 -2.243 1.00 10.00 N ATOM 0 H ARG A 134 -2.393 13.105 0.624 1.00 10.00 H new ATOM 0 HA ARG A 134 -3.671 11.243 2.440 1.00 10.00 H new ATOM 0 HB2 ARG A 134 -1.608 10.736 0.301 1.00 10.00 H new ATOM 0 HB3 ARG A 134 -2.617 9.552 1.107 1.00 10.00 H new ATOM 0 HG2 ARG A 134 -3.821 11.836 -0.482 1.00 10.00 H new ATOM 0 HG3 ARG A 134 -3.298 10.357 -1.263 1.00 10.00 H new ATOM 0 HD2 ARG A 134 -5.013 9.079 -0.331 1.00 10.00 H new ATOM 0 HD3 ARG A 134 -5.150 10.089 1.094 1.00 10.00 H new ATOM 0 HE ARG A 134 -6.971 11.003 -0.015 1.00 10.00 H new ATOM 0 HH11 ARG A 134 -4.687 10.070 -2.539 1.00 10.00 H new ATOM 0 HH12 ARG A 134 -5.425 11.118 -3.755 1.00 10.00 H new ATOM 0 HH21 ARG A 134 -7.653 12.673 -1.555 1.00 10.00 H new ATOM 0 HH22 ARG A 134 -7.058 12.550 -3.214 1.00 10.00 H new ATOM 1979 N THR A 135 -1.838 11.496 4.178 1.00 10.00 N ATOM 1980 CA THR A 135 -0.887 11.577 5.262 1.00 10.00 C ATOM 1981 C THR A 135 -1.079 10.337 6.120 1.00 10.00 C ATOM 1982 O THR A 135 -2.203 10.065 6.537 1.00 10.00 O ATOM 1983 CB THR A 135 -1.134 12.874 6.046 1.00 10.00 C ATOM 1984 OG1 THR A 135 -1.289 13.953 5.141 1.00 10.00 O ATOM 1985 CG2 THR A 135 0.029 13.174 6.994 1.00 10.00 C ATOM 0 H THR A 135 -2.803 11.522 4.507 1.00 10.00 H new ATOM 0 HA THR A 135 0.144 11.607 4.908 1.00 10.00 H new ATOM 0 HB THR A 135 -2.041 12.748 6.638 1.00 10.00 H new ATOM 0 HG1 THR A 135 -2.156 13.879 4.689 1.00 10.00 H new ATOM 0 HG21 THR A 135 -0.173 14.098 7.536 1.00 10.00 H new ATOM 0 HG22 THR A 135 0.141 12.354 7.703 1.00 10.00 H new ATOM 0 HG23 THR A 135 0.948 13.284 6.419 1.00 10.00 H new ATOM 1993 N LEU A 136 -0.019 9.556 6.332 1.00 10.00 N ATOM 1994 CA LEU A 136 -0.141 8.264 6.991 1.00 10.00 C ATOM 1995 C LEU A 136 1.194 7.903 7.621 1.00 10.00 C ATOM 1996 O LEU A 136 2.237 8.168 7.025 1.00 10.00 O ATOM 1997 CB LEU A 136 -0.559 7.209 5.959 1.00 10.00 C ATOM 1998 CG LEU A 136 -0.962 5.852 6.559 1.00 10.00 C ATOM 1999 CD1 LEU A 136 -2.274 5.942 7.348 1.00 10.00 C ATOM 2000 CD2 LEU A 136 -1.124 4.834 5.424 1.00 10.00 C ATOM 0 H LEU A 136 0.932 9.800 6.055 1.00 10.00 H new ATOM 0 HA LEU A 136 -0.899 8.305 7.773 1.00 10.00 H new ATOM 0 HB2 LEU A 136 -1.396 7.598 5.379 1.00 10.00 H new ATOM 0 HB3 LEU A 136 0.266 7.053 5.263 1.00 10.00 H new ATOM 0 HG LEU A 136 -0.178 5.541 7.250 1.00 10.00 H new ATOM 0 HD11 LEU A 136 -2.522 4.962 7.755 1.00 10.00 H new ATOM 0 HD12 LEU A 136 -2.159 6.655 8.164 1.00 10.00 H new ATOM 0 HD13 LEU A 136 -3.074 6.273 6.686 1.00 10.00 H new ATOM 0 HD21 LEU A 136 -1.410 3.868 5.840 1.00 10.00 H new ATOM 0 HD22 LEU A 136 -1.897 5.176 4.736 1.00 10.00 H new ATOM 0 HD23 LEU A 136 -0.180 4.733 4.888 1.00 10.00 H new ATOM 2012 N ASN A 137 1.143 7.300 8.808 1.00 10.00 N ATOM 2013 CA ASN A 137 2.267 6.774 9.556 1.00 10.00 C ATOM 2014 C ASN A 137 2.252 5.264 9.366 1.00 10.00 C ATOM 2015 O ASN A 137 1.196 4.643 9.456 1.00 10.00 O ATOM 2016 CB ASN A 137 2.147 7.139 11.041 1.00 10.00 C ATOM 2017 CG ASN A 137 0.888 6.559 11.685 1.00 10.00 C ATOM 2018 OD1 ASN A 137 -0.220 6.804 11.215 1.00 10.00 O ATOM 2019 ND2 ASN A 137 1.038 5.793 12.762 1.00 10.00 N ATOM 0 H ASN A 137 0.258 7.161 9.296 1.00 10.00 H new ATOM 0 HA ASN A 137 3.206 7.199 9.201 1.00 10.00 H new ATOM 0 HB2 ASN A 137 3.025 6.774 11.574 1.00 10.00 H new ATOM 0 HB3 ASN A 137 2.138 8.224 11.146 1.00 10.00 H new ATOM 0 HD21 ASN A 137 0.220 5.392 13.220 1.00 10.00 H new ATOM 0 HD22 ASN A 137 1.971 5.607 13.130 1.00 10.00 H new ATOM 2026 N VAL A 138 3.405 4.683 9.057 1.00 10.00 N ATOM 2027 CA VAL A 138 3.554 3.283 8.710 1.00 10.00 C ATOM 2028 C VAL A 138 4.814 2.788 9.427 1.00 10.00 C ATOM 2029 O VAL A 138 5.624 3.599 9.886 1.00 10.00 O ATOM 2030 CB VAL A 138 3.613 3.197 7.169 1.00 10.00 C ATOM 2031 CG1 VAL A 138 4.304 1.941 6.618 1.00 10.00 C ATOM 2032 CG2 VAL A 138 2.223 3.303 6.537 1.00 10.00 C ATOM 0 H VAL A 138 4.288 5.194 9.042 1.00 10.00 H new ATOM 0 HA VAL A 138 2.729 2.644 9.026 1.00 10.00 H new ATOM 0 HB VAL A 138 4.227 4.053 6.890 1.00 10.00 H new ATOM 0 HG11 VAL A 138 4.297 1.970 5.528 1.00 10.00 H new ATOM 0 HG12 VAL A 138 5.334 1.907 6.973 1.00 10.00 H new ATOM 0 HG13 VAL A 138 3.773 1.053 6.961 1.00 10.00 H new ATOM 0 HG21 VAL A 138 2.310 3.238 5.452 1.00 10.00 H new ATOM 0 HG22 VAL A 138 1.595 2.489 6.900 1.00 10.00 H new ATOM 0 HG23 VAL A 138 1.772 4.258 6.808 1.00 10.00 H new ATOM 2042 N ALA A 139 4.961 1.469 9.563 1.00 10.00 N ATOM 2043 CA ALA A 139 6.151 0.814 10.085 1.00 10.00 C ATOM 2044 C ALA A 139 6.826 0.088 8.923 1.00 10.00 C ATOM 2045 O ALA A 139 6.140 -0.598 8.167 1.00 10.00 O ATOM 2046 CB ALA A 139 5.751 -0.166 11.190 1.00 10.00 C ATOM 0 H ALA A 139 4.228 0.810 9.303 1.00 10.00 H new ATOM 0 HA ALA A 139 6.843 1.537 10.517 1.00 10.00 H new ATOM 0 HB1 ALA A 139 6.642 -0.657 11.581 1.00 10.00 H new ATOM 0 HB2 ALA A 139 5.253 0.376 11.994 1.00 10.00 H new ATOM 0 HB3 ALA A 139 5.073 -0.916 10.783 1.00 10.00 H new ATOM 2052 N ALA A 140 8.140 0.262 8.765 1.00 10.00 N ATOM 2053 CA ALA A 140 8.925 -0.310 7.684 1.00 10.00 C ATOM 2054 C ALA A 140 10.010 -1.220 8.255 1.00 10.00 C ATOM 2055 O ALA A 140 10.701 -0.846 9.206 1.00 10.00 O ATOM 2056 CB ALA A 140 9.543 0.815 6.852 1.00 10.00 C ATOM 0 H ALA A 140 8.698 0.823 9.409 1.00 10.00 H new ATOM 0 HA ALA A 140 8.280 -0.908 7.040 1.00 10.00 H new ATOM 0 HB1 ALA A 140 10.132 0.386 6.041 1.00 10.00 H new ATOM 0 HB2 ALA A 140 8.751 1.437 6.436 1.00 10.00 H new ATOM 0 HB3 ALA A 140 10.187 1.424 7.486 1.00 10.00 H new ATOM 2062 N THR A 141 10.166 -2.416 7.683 1.00 10.00 N ATOM 2063 CA THR A 141 11.141 -3.387 8.162 1.00 10.00 C ATOM 2064 C THR A 141 12.507 -3.073 7.552 1.00 10.00 C ATOM 2065 O THR A 141 12.624 -2.955 6.331 1.00 10.00 O ATOM 2066 CB THR A 141 10.692 -4.804 7.784 1.00 10.00 C ATOM 2067 OG1 THR A 141 9.309 -4.958 8.017 1.00 10.00 O ATOM 2068 CG2 THR A 141 11.454 -5.858 8.596 1.00 10.00 C ATOM 0 H THR A 141 9.622 -2.733 6.881 1.00 10.00 H new ATOM 0 HA THR A 141 11.217 -3.329 9.248 1.00 10.00 H new ATOM 0 HB THR A 141 10.906 -4.947 6.725 1.00 10.00 H new ATOM 0 HG1 THR A 141 9.035 -5.866 7.770 1.00 10.00 H new ATOM 0 HG21 THR A 141 11.116 -6.853 8.308 1.00 10.00 H new ATOM 0 HG22 THR A 141 12.522 -5.766 8.399 1.00 10.00 H new ATOM 0 HG23 THR A 141 11.266 -5.704 9.659 1.00 10.00 H new ATOM 2076 N VAL A 142 13.552 -2.963 8.373 1.00 10.00 N ATOM 2077 CA VAL A 142 14.877 -2.686 7.852 1.00 10.00 C ATOM 2078 C VAL A 142 15.548 -4.026 7.584 1.00 10.00 C ATOM 2079 O VAL A 142 15.885 -4.736 8.527 1.00 10.00 O ATOM 2080 CB VAL A 142 15.683 -1.832 8.831 1.00 10.00 C ATOM 2081 CG1 VAL A 142 17.072 -1.581 8.243 1.00 10.00 C ATOM 2082 CG2 VAL A 142 15.004 -0.484 9.089 1.00 10.00 C ATOM 0 H VAL A 142 13.502 -3.061 9.387 1.00 10.00 H new ATOM 0 HA VAL A 142 14.816 -2.111 6.928 1.00 10.00 H new ATOM 0 HB VAL A 142 15.752 -2.369 9.777 1.00 10.00 H new ATOM 0 HG11 VAL A 142 17.655 -0.972 8.934 1.00 10.00 H new ATOM 0 HG12 VAL A 142 17.577 -2.534 8.083 1.00 10.00 H new ATOM 0 HG13 VAL A 142 16.975 -1.058 7.292 1.00 10.00 H new ATOM 0 HG21 VAL A 142 15.604 0.097 9.789 1.00 10.00 H new ATOM 0 HG22 VAL A 142 14.911 0.062 8.150 1.00 10.00 H new ATOM 0 HG23 VAL A 142 14.013 -0.651 9.511 1.00 10.00 H new ATOM 2092 N LYS A 143 15.714 -4.401 6.318 1.00 10.00 N ATOM 2093 CA LYS A 143 16.462 -5.583 5.932 1.00 10.00 C ATOM 2094 C LYS A 143 16.924 -5.416 4.483 1.00 10.00 C ATOM 2095 O LYS A 143 16.106 -5.160 3.602 1.00 10.00 O ATOM 2096 CB LYS A 143 15.623 -6.856 6.141 1.00 10.00 C ATOM 2097 CG LYS A 143 14.203 -6.767 5.559 1.00 10.00 C ATOM 2098 CD LYS A 143 13.491 -8.116 5.707 1.00 10.00 C ATOM 2099 CE LYS A 143 12.066 -8.043 5.139 1.00 10.00 C ATOM 2100 NZ LYS A 143 11.401 -9.362 5.136 1.00 10.00 N ATOM 0 H LYS A 143 15.327 -3.885 5.528 1.00 10.00 H new ATOM 0 HA LYS A 143 17.342 -5.695 6.565 1.00 10.00 H new ATOM 0 HB2 LYS A 143 16.140 -7.700 5.684 1.00 10.00 H new ATOM 0 HB3 LYS A 143 15.555 -7.064 7.209 1.00 10.00 H new ATOM 0 HG2 LYS A 143 13.638 -5.990 6.074 1.00 10.00 H new ATOM 0 HG3 LYS A 143 14.249 -6.484 4.507 1.00 10.00 H new ATOM 0 HD2 LYS A 143 14.056 -8.890 5.187 1.00 10.00 H new ATOM 0 HD3 LYS A 143 13.455 -8.400 6.759 1.00 10.00 H new ATOM 0 HE2 LYS A 143 11.476 -7.342 5.729 1.00 10.00 H new ATOM 0 HE3 LYS A 143 12.101 -7.653 4.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 143 10.442 -9.266 4.745 1.00 10.00 H new ATOM 0 HZ2 LYS A 143 11.949 -10.026 4.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 143 11.343 -9.724 6.109 1.00 10.00 H new ATOM 2114 N LYS A 144 18.228 -5.539 4.220 1.00 10.00 N ATOM 2115 CA LYS A 144 18.762 -5.477 2.869 1.00 10.00 C ATOM 2116 C LYS A 144 18.402 -6.734 2.068 1.00 10.00 C ATOM 2117 O LYS A 144 19.245 -7.587 1.804 1.00 10.00 O ATOM 2118 CB LYS A 144 20.257 -5.145 2.904 1.00 10.00 C ATOM 2119 CG LYS A 144 21.153 -6.167 3.627 1.00 10.00 C ATOM 2120 CD LYS A 144 22.364 -6.426 2.729 1.00 10.00 C ATOM 2121 CE LYS A 144 23.311 -7.506 3.256 1.00 10.00 C ATOM 2122 NZ LYS A 144 24.512 -7.587 2.400 1.00 10.00 N ATOM 0 H LYS A 144 18.936 -5.684 4.940 1.00 10.00 H new ATOM 0 HA LYS A 144 18.289 -4.660 2.325 1.00 10.00 H new ATOM 0 HB2 LYS A 144 20.611 -5.041 1.878 1.00 10.00 H new ATOM 0 HB3 LYS A 144 20.383 -4.175 3.385 1.00 10.00 H new ATOM 0 HG2 LYS A 144 21.469 -5.783 4.597 1.00 10.00 H new ATOM 0 HG3 LYS A 144 20.608 -7.092 3.813 1.00 10.00 H new ATOM 0 HD2 LYS A 144 22.013 -6.717 1.739 1.00 10.00 H new ATOM 0 HD3 LYS A 144 22.920 -5.496 2.610 1.00 10.00 H new ATOM 0 HE2 LYS A 144 23.600 -7.278 4.282 1.00 10.00 H new ATOM 0 HE3 LYS A 144 22.802 -8.470 3.275 1.00 10.00 H new ATOM 0 HZ1 LYS A 144 25.150 -8.323 2.765 1.00 10.00 H new ATOM 0 HZ2 LYS A 144 24.230 -7.825 1.428 1.00 10.00 H new ATOM 0 HZ3 LYS A 144 25.003 -6.670 2.404 1.00 10.00 H new