USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 43 TYR OH : rot -124:sc= 1.47! USER MOD Set 1.2: A 75 CYS SG : rot -167:sc= -1.1! USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot 85:sc= -0.0515! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -5.24! C(o=-5.2!,f=-10!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -155:sc= -0.592 (180deg=-2.05!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -120:sc= -3.56! (180deg=-4.21!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 80 TYR OH : rot -18:sc= -5.35! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0603 USER MOD Single : A 88 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.15) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 96 THR OG1 : rot -97:sc= 0.61 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.0645 K(o=-0.065,f=-1.2) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.5!) USER MOD Single : A 113 MET CE :methyl 136:sc= -0.168 (180deg=-1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 35 -44.591 -3.847 9.750 1.00 0.00 N ATOM 2 CA ALA A 35 -45.499 -2.677 9.590 1.00 0.00 C ATOM 3 C ALA A 35 -45.193 -1.970 8.267 1.00 0.00 C ATOM 4 O ALA A 35 -44.097 -1.492 8.050 1.00 0.00 O ATOM 5 CB ALA A 35 -45.286 -1.703 10.749 1.00 0.00 C ATOM 0 HA ALA A 35 -46.534 -3.019 9.589 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -45.950 -0.847 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -45.504 -2.205 11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -44.251 -1.361 10.751 1.00 0.00 H new ATOM 11 N PRO A 36 -46.186 -1.906 7.368 1.00 0.00 N ATOM 12 CA PRO A 36 -46.031 -1.257 6.060 1.00 0.00 C ATOM 13 C PRO A 36 -45.903 0.263 6.190 1.00 0.00 C ATOM 14 O PRO A 36 -45.399 0.932 5.309 1.00 0.00 O ATOM 15 CB PRO A 36 -47.325 -1.612 5.329 1.00 0.00 C ATOM 16 CG PRO A 36 -48.313 -1.863 6.417 1.00 0.00 C ATOM 17 CD PRO A 36 -47.537 -2.461 7.556 1.00 0.00 C ATOM 0 HA PRO A 36 -45.130 -1.588 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -47.649 -0.799 4.679 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -47.196 -2.492 4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -48.801 -0.937 6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -49.098 -2.541 6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -47.957 -2.180 8.522 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -47.535 -3.550 7.514 1.00 0.00 H new ATOM 25 N ARG A 37 -46.356 0.815 7.283 1.00 0.00 N ATOM 26 CA ARG A 37 -46.260 2.290 7.468 1.00 0.00 C ATOM 27 C ARG A 37 -44.807 2.733 7.291 1.00 0.00 C ATOM 28 O ARG A 37 -44.528 3.789 6.758 1.00 0.00 O ATOM 29 CB ARG A 37 -46.738 2.661 8.874 1.00 0.00 C ATOM 30 CG ARG A 37 -48.219 2.309 9.018 1.00 0.00 C ATOM 31 CD ARG A 37 -48.731 2.806 10.372 1.00 0.00 C ATOM 32 NE ARG A 37 -47.904 2.219 11.463 1.00 0.00 N ATOM 33 CZ ARG A 37 -48.424 1.342 12.279 1.00 0.00 C ATOM 34 NH1 ARG A 37 -48.010 0.105 12.258 1.00 0.00 N ATOM 35 NH2 ARG A 37 -49.358 1.704 13.116 1.00 0.00 N ATOM 0 H ARG A 37 -46.788 0.308 8.055 1.00 0.00 H new ATOM 0 HA ARG A 37 -46.885 2.790 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -46.152 2.127 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -46.587 3.726 9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -48.792 2.764 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -48.357 1.231 8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -48.686 3.894 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -49.776 2.525 10.503 1.00 0.00 H new ATOM 0 HE ARG A 37 -46.930 2.502 11.573 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -47.280 -0.177 11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -48.416 -0.580 12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -49.681 2.671 13.132 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -49.765 1.020 13.754 1.00 0.00 H new ATOM 49 N LYS A 38 -43.875 1.934 7.735 1.00 0.00 N ATOM 50 CA LYS A 38 -42.440 2.309 7.593 1.00 0.00 C ATOM 51 C LYS A 38 -41.962 1.976 6.178 1.00 0.00 C ATOM 52 O LYS A 38 -42.453 1.062 5.545 1.00 0.00 O ATOM 53 CB LYS A 38 -41.608 1.528 8.611 1.00 0.00 C ATOM 54 CG LYS A 38 -42.022 1.935 10.026 1.00 0.00 C ATOM 55 CD LYS A 38 -41.119 1.234 11.043 1.00 0.00 C ATOM 56 CE LYS A 38 -41.633 1.513 12.458 1.00 0.00 C ATOM 57 NZ LYS A 38 -41.848 0.222 13.172 1.00 0.00 N ATOM 0 H LYS A 38 -44.046 1.037 8.190 1.00 0.00 H new ATOM 0 HA LYS A 38 -42.324 3.378 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -41.754 0.457 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -40.547 1.727 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -41.947 3.016 10.142 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -43.064 1.667 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -41.105 0.161 10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -40.093 1.589 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -40.916 2.127 13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -42.565 2.076 12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -42.197 0.411 14.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -42.548 -0.348 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -40.949 -0.299 13.226 1.00 0.00 H new ATOM 71 N GLY A 39 -41.008 2.711 5.678 1.00 0.00 N ATOM 72 CA GLY A 39 -40.498 2.438 4.305 1.00 0.00 C ATOM 73 C GLY A 39 -39.267 3.307 4.037 1.00 0.00 C ATOM 74 O GLY A 39 -38.636 3.803 4.949 1.00 0.00 O ATOM 0 H GLY A 39 -40.559 3.489 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -40.241 1.384 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -41.273 2.650 3.569 1.00 0.00 H new ATOM 78 N ASN A 40 -38.922 3.495 2.793 1.00 0.00 N ATOM 79 CA ASN A 40 -37.732 4.331 2.468 1.00 0.00 C ATOM 80 C ASN A 40 -37.550 4.391 0.951 1.00 0.00 C ATOM 81 O ASN A 40 -36.987 3.500 0.348 1.00 0.00 O ATOM 82 CB ASN A 40 -36.486 3.715 3.108 1.00 0.00 C ATOM 83 CG ASN A 40 -35.315 4.693 2.990 1.00 0.00 C ATOM 84 OD1 ASN A 40 -34.503 4.581 2.093 1.00 0.00 O ATOM 85 ND2 ASN A 40 -35.195 5.654 3.864 1.00 0.00 N ATOM 0 H ASN A 40 -39.412 3.106 1.988 1.00 0.00 H new ATOM 0 HA ASN A 40 -37.879 5.339 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.678 3.486 4.156 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.239 2.774 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.419 6.312 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -35.877 5.747 4.617 1.00 0.00 H new ATOM 92 N THR A 41 -38.023 5.435 0.328 1.00 0.00 N ATOM 93 CA THR A 41 -37.876 5.550 -1.150 1.00 0.00 C ATOM 94 C THR A 41 -36.466 6.040 -1.487 1.00 0.00 C ATOM 95 O THR A 41 -35.919 6.895 -0.819 1.00 0.00 O ATOM 96 CB THR A 41 -38.905 6.547 -1.688 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.214 6.089 -1.378 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.753 6.673 -3.204 1.00 0.00 C ATOM 0 H THR A 41 -38.505 6.213 0.778 1.00 0.00 H new ATOM 0 HA THR A 41 -38.040 4.575 -1.608 1.00 0.00 H new ATOM 0 HB THR A 41 -38.742 7.521 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.874 6.728 -1.721 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.487 7.383 -3.585 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.749 7.026 -3.441 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.915 5.700 -3.668 1.00 0.00 H new ATOM 106 N LEU A 42 -35.874 5.504 -2.519 1.00 0.00 N ATOM 107 CA LEU A 42 -34.500 5.938 -2.899 1.00 0.00 C ATOM 108 C LEU A 42 -34.534 6.565 -4.294 1.00 0.00 C ATOM 109 O LEU A 42 -35.303 6.166 -5.146 1.00 0.00 O ATOM 110 CB LEU A 42 -33.566 4.725 -2.906 1.00 0.00 C ATOM 111 CG LEU A 42 -33.591 4.056 -1.530 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.550 2.935 -1.489 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.267 5.093 -0.453 1.00 0.00 C ATOM 0 H LEU A 42 -36.282 4.784 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.136 6.671 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.878 4.016 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.551 5.035 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.581 3.639 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.567 2.458 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.781 2.196 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.560 3.351 -1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.285 4.617 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.277 5.510 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -34.008 5.892 -0.482 1.00 0.00 H new ATOM 125 N TYR A 43 -33.710 7.549 -4.535 1.00 0.00 N ATOM 126 CA TYR A 43 -33.701 8.202 -5.875 1.00 0.00 C ATOM 127 C TYR A 43 -32.604 7.577 -6.741 1.00 0.00 C ATOM 128 O TYR A 43 -31.436 7.623 -6.410 1.00 0.00 O ATOM 129 CB TYR A 43 -33.430 9.699 -5.711 1.00 0.00 C ATOM 130 CG TYR A 43 -33.586 10.387 -7.046 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.848 10.825 -7.464 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.469 10.589 -7.866 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.994 11.464 -8.700 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.614 11.227 -9.102 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.877 11.666 -9.520 1.00 0.00 C ATOM 136 OH TYR A 43 -34.020 12.295 -10.739 1.00 0.00 O ATOM 0 H TYR A 43 -33.044 7.928 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.669 8.058 -6.355 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.122 10.128 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.424 9.857 -5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.710 10.670 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.495 10.252 -7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.968 11.801 -9.022 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.752 11.381 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 43 -33.675 11.715 -11.449 1.00 0.00 H new ATOM 146 N VAL A 44 -32.971 6.997 -7.852 1.00 0.00 N ATOM 147 CA VAL A 44 -31.950 6.372 -8.739 1.00 0.00 C ATOM 148 C VAL A 44 -31.756 7.242 -9.984 1.00 0.00 C ATOM 149 O VAL A 44 -32.705 7.710 -10.580 1.00 0.00 O ATOM 150 CB VAL A 44 -32.423 4.979 -9.159 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.326 4.292 -9.977 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.726 4.145 -7.912 1.00 0.00 C ATOM 0 H VAL A 44 -33.933 6.929 -8.183 1.00 0.00 H new ATOM 0 HA VAL A 44 -31.005 6.288 -8.203 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.325 5.070 -9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.663 3.300 -10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -31.109 4.885 -10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.424 4.202 -9.372 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -33.063 3.153 -8.211 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.824 4.055 -7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.507 4.633 -7.329 1.00 0.00 H new ATOM 162 N TYR A 45 -30.532 7.463 -10.380 1.00 0.00 N ATOM 163 CA TYR A 45 -30.277 8.304 -11.584 1.00 0.00 C ATOM 164 C TYR A 45 -29.250 7.611 -12.482 1.00 0.00 C ATOM 165 O TYR A 45 -28.356 6.935 -12.012 1.00 0.00 O ATOM 166 CB TYR A 45 -29.738 9.667 -11.149 1.00 0.00 C ATOM 167 CG TYR A 45 -29.648 10.581 -12.347 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.796 11.223 -12.825 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.416 10.788 -12.979 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.714 12.071 -13.935 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.334 11.636 -14.090 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.483 12.278 -14.568 1.00 0.00 C ATOM 173 OH TYR A 45 -29.401 13.114 -15.662 1.00 0.00 O ATOM 0 H TYR A 45 -29.697 7.097 -9.922 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.207 8.441 -12.135 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.392 10.104 -10.394 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.755 9.552 -10.692 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.746 11.064 -12.337 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.529 10.294 -12.610 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.601 12.566 -14.303 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.384 11.795 -14.579 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.474 13.147 -15.980 1.00 0.00 H new ATOM 183 N GLY A 46 -29.367 7.775 -13.771 1.00 0.00 N ATOM 184 CA GLY A 46 -28.397 7.126 -14.696 1.00 0.00 C ATOM 185 C GLY A 46 -28.929 7.194 -16.128 1.00 0.00 C ATOM 186 O GLY A 46 -29.931 7.825 -16.399 1.00 0.00 O ATOM 0 H GLY A 46 -30.093 8.331 -14.223 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.430 7.624 -14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.240 6.087 -14.405 1.00 0.00 H new ATOM 190 N GLU A 47 -28.266 6.549 -17.049 1.00 0.00 N ATOM 191 CA GLU A 47 -28.734 6.577 -18.463 1.00 0.00 C ATOM 192 C GLU A 47 -29.066 5.154 -18.917 1.00 0.00 C ATOM 193 O GLU A 47 -28.554 4.187 -18.388 1.00 0.00 O ATOM 194 CB GLU A 47 -27.631 7.152 -19.355 1.00 0.00 C ATOM 195 CG GLU A 47 -27.358 8.603 -18.954 1.00 0.00 C ATOM 196 CD GLU A 47 -28.653 9.411 -19.046 1.00 0.00 C ATOM 197 OE1 GLU A 47 -29.560 8.964 -19.729 1.00 0.00 O ATOM 198 OE2 GLU A 47 -28.717 10.463 -18.432 1.00 0.00 O ATOM 0 H GLU A 47 -27.420 6.004 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.624 7.201 -18.539 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -26.722 6.559 -19.256 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.932 7.103 -20.402 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.964 8.643 -17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.600 9.035 -19.607 1.00 0.00 H new ATOM 205 N ASP A 48 -29.918 5.017 -19.895 1.00 0.00 N ATOM 206 CA ASP A 48 -30.281 3.655 -20.381 1.00 0.00 C ATOM 207 C ASP A 48 -30.570 2.747 -19.184 1.00 0.00 C ATOM 208 O ASP A 48 -29.972 1.701 -19.028 1.00 0.00 O ATOM 209 CB ASP A 48 -29.116 3.078 -21.190 1.00 0.00 C ATOM 210 CG ASP A 48 -28.846 3.970 -22.404 1.00 0.00 C ATOM 211 OD1 ASP A 48 -29.726 4.738 -22.758 1.00 0.00 O ATOM 212 OD2 ASP A 48 -27.765 3.871 -22.958 1.00 0.00 O ATOM 0 H ASP A 48 -30.378 5.788 -20.379 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.168 3.717 -21.012 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.224 3.013 -20.567 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.352 2.065 -21.515 1.00 0.00 H new ATOM 217 N MET A 49 -31.484 3.137 -18.338 1.00 0.00 N ATOM 218 CA MET A 49 -31.810 2.296 -17.152 1.00 0.00 C ATOM 219 C MET A 49 -33.078 1.485 -17.431 1.00 0.00 C ATOM 220 O MET A 49 -34.027 1.978 -18.009 1.00 0.00 O ATOM 221 CB MET A 49 -32.037 3.195 -15.935 1.00 0.00 C ATOM 222 CG MET A 49 -30.742 3.939 -15.602 1.00 0.00 C ATOM 223 SD MET A 49 -30.961 4.875 -14.069 1.00 0.00 S ATOM 224 CE MET A 49 -32.361 5.883 -14.616 1.00 0.00 C ATOM 0 H MET A 49 -32.019 4.002 -18.417 1.00 0.00 H new ATOM 0 HA MET A 49 -30.982 1.616 -16.952 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.836 3.908 -16.140 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.355 2.596 -15.081 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.921 3.231 -15.494 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.477 4.612 -16.417 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.390 6.808 -14.041 1.00 0.00 H new ATOM 0 HE2 MET A 49 -32.249 6.117 -15.675 1.00 0.00 H new ATOM 0 HE3 MET A 49 -33.288 5.331 -14.462 1.00 0.00 H new ATOM 234 N THR A 50 -33.103 0.245 -17.025 1.00 0.00 N ATOM 235 CA THR A 50 -34.309 -0.595 -17.267 1.00 0.00 C ATOM 236 C THR A 50 -34.904 -1.035 -15.927 1.00 0.00 C ATOM 237 O THR A 50 -34.274 -0.928 -14.895 1.00 0.00 O ATOM 238 CB THR A 50 -33.917 -1.830 -18.082 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.501 -1.905 -18.174 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.517 -1.730 -19.485 1.00 0.00 C ATOM 0 H THR A 50 -32.340 -0.223 -16.536 1.00 0.00 H new ATOM 0 HA THR A 50 -35.049 -0.016 -17.819 1.00 0.00 H new ATOM 0 HB THR A 50 -34.297 -2.725 -17.590 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.248 -2.696 -18.694 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.237 -2.610 -20.064 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.603 -1.673 -19.413 1.00 0.00 H new ATOM 0 HG23 THR A 50 -34.139 -0.835 -19.979 1.00 0.00 H new ATOM 248 N PRO A 51 -36.147 -1.536 -15.953 1.00 0.00 N ATOM 249 CA PRO A 51 -36.843 -1.995 -14.743 1.00 0.00 C ATOM 250 C PRO A 51 -36.240 -3.289 -14.187 1.00 0.00 C ATOM 251 O PRO A 51 -35.822 -3.349 -13.048 1.00 0.00 O ATOM 252 CB PRO A 51 -38.271 -2.245 -15.223 1.00 0.00 C ATOM 253 CG PRO A 51 -38.139 -2.513 -16.686 1.00 0.00 C ATOM 254 CD PRO A 51 -36.972 -1.696 -17.163 1.00 0.00 C ATOM 0 HA PRO A 51 -36.772 -1.268 -13.934 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.720 -3.092 -14.704 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.909 -1.381 -15.035 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.973 -3.574 -16.873 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.050 -2.235 -17.216 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.425 -2.203 -17.958 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.292 -0.733 -17.561 1.00 0.00 H new ATOM 262 N THR A 52 -36.193 -4.326 -14.978 1.00 0.00 N ATOM 263 CA THR A 52 -35.618 -5.608 -14.485 1.00 0.00 C ATOM 264 C THR A 52 -34.166 -5.383 -14.063 1.00 0.00 C ATOM 265 O THR A 52 -33.675 -5.997 -13.138 1.00 0.00 O ATOM 266 CB THR A 52 -35.672 -6.658 -15.597 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.490 -6.180 -16.657 1.00 0.00 O ATOM 268 CG2 THR A 52 -36.259 -7.959 -15.044 1.00 0.00 C ATOM 0 H THR A 52 -36.527 -4.340 -15.942 1.00 0.00 H new ATOM 0 HA THR A 52 -36.196 -5.960 -13.630 1.00 0.00 H new ATOM 0 HB THR A 52 -34.665 -6.846 -15.970 1.00 0.00 H new ATOM 0 HG1 THR A 52 -36.525 -6.850 -17.371 1.00 0.00 H new ATOM 0 HG21 THR A 52 -36.297 -8.707 -15.836 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.632 -8.324 -14.231 1.00 0.00 H new ATOM 0 HG23 THR A 52 -37.266 -7.774 -14.671 1.00 0.00 H new ATOM 276 N LEU A 53 -33.477 -4.502 -14.734 1.00 0.00 N ATOM 277 CA LEU A 53 -32.059 -4.233 -14.368 1.00 0.00 C ATOM 278 C LEU A 53 -32.009 -3.619 -12.969 1.00 0.00 C ATOM 279 O LEU A 53 -31.221 -4.015 -12.133 1.00 0.00 O ATOM 280 CB LEU A 53 -31.445 -3.260 -15.377 1.00 0.00 C ATOM 281 CG LEU A 53 -29.927 -3.222 -15.190 1.00 0.00 C ATOM 282 CD1 LEU A 53 -29.251 -3.015 -16.547 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.557 -2.071 -14.254 1.00 0.00 C ATOM 0 H LEU A 53 -33.834 -3.957 -15.519 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.495 -5.166 -14.379 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.689 -3.571 -16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.864 -2.263 -15.239 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.590 -4.164 -14.757 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.169 -2.988 -16.414 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.514 -3.836 -17.214 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.587 -2.073 -16.981 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.476 -2.044 -14.121 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.893 -1.128 -14.686 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.038 -2.219 -13.287 1.00 0.00 H new ATOM 295 N LEU A 54 -32.848 -2.653 -12.706 1.00 0.00 N ATOM 296 CA LEU A 54 -32.851 -2.017 -11.359 1.00 0.00 C ATOM 297 C LEU A 54 -33.303 -3.042 -10.317 1.00 0.00 C ATOM 298 O LEU A 54 -32.725 -3.158 -9.255 1.00 0.00 O ATOM 299 CB LEU A 54 -33.814 -0.828 -11.357 1.00 0.00 C ATOM 300 CG LEU A 54 -33.251 0.288 -12.238 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.383 0.913 -13.056 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.608 1.360 -11.356 1.00 0.00 C ATOM 0 H LEU A 54 -33.530 -2.278 -13.365 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.847 -1.669 -11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.792 -1.138 -11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.958 -0.465 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.501 -0.126 -12.912 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.982 1.708 -13.684 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.841 0.150 -13.685 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.134 1.326 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.207 2.155 -11.984 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.357 1.774 -10.681 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.801 0.916 -10.773 1.00 0.00 H new ATOM 314 N ARG A 55 -34.330 -3.790 -10.615 1.00 0.00 N ATOM 315 CA ARG A 55 -34.813 -4.810 -9.643 1.00 0.00 C ATOM 316 C ARG A 55 -33.643 -5.703 -9.229 1.00 0.00 C ATOM 317 O ARG A 55 -33.548 -6.137 -8.098 1.00 0.00 O ATOM 318 CB ARG A 55 -35.903 -5.664 -10.294 1.00 0.00 C ATOM 319 CG ARG A 55 -37.158 -4.816 -10.504 1.00 0.00 C ATOM 320 CD ARG A 55 -38.292 -5.701 -11.029 1.00 0.00 C ATOM 321 NE ARG A 55 -39.373 -4.843 -11.591 1.00 0.00 N ATOM 322 CZ ARG A 55 -40.391 -5.389 -12.196 1.00 0.00 C ATOM 323 NH1 ARG A 55 -40.196 -6.205 -13.196 1.00 0.00 N ATOM 324 NH2 ARG A 55 -41.606 -5.119 -11.803 1.00 0.00 N ATOM 0 H ARG A 55 -34.855 -3.739 -11.488 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.223 -4.312 -8.764 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.552 -6.055 -11.249 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -36.133 -6.522 -9.663 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.454 -4.347 -9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.952 -4.013 -11.211 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.914 -6.377 -11.796 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.687 -6.321 -10.224 1.00 0.00 H new ATOM 0 HE ARG A 55 -39.317 -3.828 -11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -39.247 -6.416 -13.505 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -40.993 -6.632 -13.669 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -41.760 -4.481 -11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -42.402 -5.546 -12.277 1.00 0.00 H new ATOM 338 N GLY A 56 -32.748 -5.978 -10.138 1.00 0.00 N ATOM 339 CA GLY A 56 -31.581 -6.839 -9.798 1.00 0.00 C ATOM 340 C GLY A 56 -30.565 -6.018 -9.002 1.00 0.00 C ATOM 341 O GLY A 56 -29.841 -6.539 -8.176 1.00 0.00 O ATOM 0 H GLY A 56 -32.775 -5.644 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.907 -7.700 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -31.122 -7.225 -10.708 1.00 0.00 H new ATOM 345 N ALA A 57 -30.508 -4.737 -9.240 1.00 0.00 N ATOM 346 CA ALA A 57 -29.544 -3.881 -8.496 1.00 0.00 C ATOM 347 C ALA A 57 -30.118 -3.558 -7.116 1.00 0.00 C ATOM 348 O ALA A 57 -29.430 -3.059 -6.247 1.00 0.00 O ATOM 349 CB ALA A 57 -29.311 -2.582 -9.269 1.00 0.00 C ATOM 0 H ALA A 57 -31.089 -4.246 -9.919 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.597 -4.409 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.605 -1.956 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.906 -2.813 -10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.256 -2.051 -9.381 1.00 0.00 H new ATOM 355 N PHE A 58 -31.375 -3.839 -6.909 1.00 0.00 N ATOM 356 CA PHE A 58 -32.000 -3.552 -5.587 1.00 0.00 C ATOM 357 C PHE A 58 -32.672 -4.822 -5.055 1.00 0.00 C ATOM 358 O PHE A 58 -33.219 -4.838 -3.970 1.00 0.00 O ATOM 359 CB PHE A 58 -33.050 -2.451 -5.749 1.00 0.00 C ATOM 360 CG PHE A 58 -32.365 -1.128 -5.991 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.918 -0.793 -7.274 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.180 -0.233 -4.930 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.285 0.436 -7.498 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.547 0.997 -5.153 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.100 1.332 -6.436 1.00 0.00 C ATOM 0 H PHE A 58 -31.998 -4.256 -7.601 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.233 -3.224 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.713 -2.686 -6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.671 -2.392 -4.855 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -32.061 -1.483 -8.092 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.525 -0.491 -3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.940 0.693 -8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.404 1.687 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.613 2.280 -6.608 1.00 0.00 H new ATOM 375 N SER A 59 -32.638 -5.884 -5.812 1.00 0.00 N ATOM 376 CA SER A 59 -33.277 -7.150 -5.355 1.00 0.00 C ATOM 377 C SER A 59 -32.504 -7.730 -4.164 1.00 0.00 C ATOM 378 O SER A 59 -33.065 -7.983 -3.118 1.00 0.00 O ATOM 379 CB SER A 59 -33.273 -8.163 -6.502 1.00 0.00 C ATOM 380 OG SER A 59 -33.209 -9.479 -5.972 1.00 0.00 O ATOM 0 H SER A 59 -32.194 -5.930 -6.729 1.00 0.00 H new ATOM 0 HA SER A 59 -34.302 -6.941 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 59 -34.172 -8.047 -7.107 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.422 -7.982 -7.158 1.00 0.00 H new ATOM 0 HG SER A 59 -33.208 -10.128 -6.706 1.00 0.00 H new ATOM 386 N PRO A 60 -31.190 -7.954 -4.335 1.00 0.00 N ATOM 387 CA PRO A 60 -30.340 -8.517 -3.275 1.00 0.00 C ATOM 388 C PRO A 60 -30.158 -7.549 -2.101 1.00 0.00 C ATOM 389 O PRO A 60 -29.885 -7.954 -0.989 1.00 0.00 O ATOM 390 CB PRO A 60 -29.003 -8.753 -3.976 1.00 0.00 C ATOM 391 CG PRO A 60 -29.000 -7.787 -5.111 1.00 0.00 C ATOM 392 CD PRO A 60 -30.428 -7.676 -5.565 1.00 0.00 C ATOM 0 HA PRO A 60 -30.775 -9.418 -2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -28.165 -8.576 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.916 -9.781 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.614 -6.817 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.360 -8.138 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.649 -6.685 -5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.658 -8.393 -6.353 1.00 0.00 H new ATOM 400 N PHE A 61 -30.305 -6.274 -2.336 1.00 0.00 N ATOM 401 CA PHE A 61 -30.139 -5.292 -1.227 1.00 0.00 C ATOM 402 C PHE A 61 -31.332 -5.394 -0.276 1.00 0.00 C ATOM 403 O PHE A 61 -31.302 -4.890 0.829 1.00 0.00 O ATOM 404 CB PHE A 61 -30.064 -3.877 -1.803 1.00 0.00 C ATOM 405 CG PHE A 61 -28.684 -3.636 -2.367 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.630 -3.283 -1.514 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.457 -3.763 -3.742 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.352 -3.059 -2.037 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.179 -3.540 -4.265 1.00 0.00 C ATOM 410 CZ PHE A 61 -26.125 -3.187 -3.413 1.00 0.00 C ATOM 0 H PHE A 61 -30.532 -5.871 -3.245 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.220 -5.510 -0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.815 -3.750 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.284 -3.145 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.804 -3.184 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.269 -4.033 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.540 -2.787 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -27.005 -3.640 -5.326 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.138 -3.014 -3.817 1.00 0.00 H new ATOM 420 N GLY A 62 -32.384 -6.044 -0.696 1.00 0.00 N ATOM 421 CA GLY A 62 -33.578 -6.178 0.185 1.00 0.00 C ATOM 422 C GLY A 62 -34.836 -6.308 -0.677 1.00 0.00 C ATOM 423 O GLY A 62 -34.772 -6.285 -1.891 1.00 0.00 O ATOM 0 H GLY A 62 -32.467 -6.487 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.473 -7.052 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.660 -5.310 0.839 1.00 0.00 H new ATOM 427 N ASN A 63 -35.979 -6.443 -0.063 1.00 0.00 N ATOM 428 CA ASN A 63 -37.237 -6.572 -0.850 1.00 0.00 C ATOM 429 C ASN A 63 -37.837 -5.184 -1.083 1.00 0.00 C ATOM 430 O ASN A 63 -37.858 -4.352 -0.198 1.00 0.00 O ATOM 431 CB ASN A 63 -38.237 -7.438 -0.079 1.00 0.00 C ATOM 432 CG ASN A 63 -37.679 -8.855 0.064 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.742 -9.224 -0.616 1.00 0.00 O ATOM 434 ND2 ASN A 63 -38.219 -9.670 0.928 1.00 0.00 N ATOM 0 H ASN A 63 -36.096 -6.470 0.950 1.00 0.00 H new ATOM 0 HA ASN A 63 -37.018 -7.039 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.424 -7.008 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -39.193 -7.463 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.855 -10.617 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -39.006 -9.360 1.499 1.00 0.00 H new ATOM 441 N ILE A 64 -38.322 -4.927 -2.266 1.00 0.00 N ATOM 442 CA ILE A 64 -38.918 -3.593 -2.553 1.00 0.00 C ATOM 443 C ILE A 64 -40.444 -3.699 -2.544 1.00 0.00 C ATOM 444 O ILE A 64 -41.023 -4.519 -3.229 1.00 0.00 O ATOM 445 CB ILE A 64 -38.451 -3.109 -3.928 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.923 -3.064 -3.962 1.00 0.00 C ATOM 447 CG2 ILE A 64 -39.010 -1.711 -4.192 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.446 -3.016 -5.416 1.00 0.00 C ATOM 0 H ILE A 64 -38.331 -5.584 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.599 -2.884 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.810 -3.794 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.562 -2.189 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.511 -3.941 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.678 -1.365 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.099 -1.744 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.652 -1.025 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.357 -2.984 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.795 -3.904 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.846 -2.126 -5.901 1.00 0.00 H new ATOM 460 N ILE A 65 -41.100 -2.876 -1.773 1.00 0.00 N ATOM 461 CA ILE A 65 -42.588 -2.929 -1.723 1.00 0.00 C ATOM 462 C ILE A 65 -43.167 -1.902 -2.699 1.00 0.00 C ATOM 463 O ILE A 65 -44.339 -1.923 -3.016 1.00 0.00 O ATOM 464 CB ILE A 65 -43.062 -2.608 -0.304 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.809 -1.130 -0.002 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.293 -3.472 0.697 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.456 -0.765 1.336 1.00 0.00 C ATOM 0 H ILE A 65 -40.670 -2.170 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.926 -3.927 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.129 -2.817 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.737 -0.933 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.220 -0.509 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.630 -3.244 1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.474 -4.525 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.226 -3.263 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.276 0.288 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.529 -0.946 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.024 -1.377 2.128 1.00 0.00 H new ATOM 479 N ASP A 66 -42.352 -1.002 -3.178 1.00 0.00 N ATOM 480 CA ASP A 66 -42.852 0.025 -4.133 1.00 0.00 C ATOM 481 C ASP A 66 -41.725 0.427 -5.085 1.00 0.00 C ATOM 482 O ASP A 66 -40.796 1.113 -4.709 1.00 0.00 O ATOM 483 CB ASP A 66 -43.328 1.255 -3.357 1.00 0.00 C ATOM 484 CG ASP A 66 -43.932 2.270 -4.331 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.012 1.957 -5.507 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.303 3.341 -3.883 1.00 0.00 O ATOM 0 H ASP A 66 -41.360 -0.934 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.683 -0.386 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.069 0.964 -2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.494 1.704 -2.818 1.00 0.00 H new ATOM 491 N LEU A 67 -41.798 0.003 -6.318 1.00 0.00 N ATOM 492 CA LEU A 67 -40.730 0.362 -7.293 1.00 0.00 C ATOM 493 C LEU A 67 -41.346 1.130 -8.464 1.00 0.00 C ATOM 494 O LEU A 67 -42.281 0.675 -9.093 1.00 0.00 O ATOM 495 CB LEU A 67 -40.063 -0.914 -7.811 1.00 0.00 C ATOM 496 CG LEU A 67 -38.842 -0.545 -8.656 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.627 -1.341 -8.172 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.118 -0.876 -10.124 1.00 0.00 C ATOM 0 H LEU A 67 -42.550 -0.576 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.984 0.987 -6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.762 -1.545 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.770 -1.490 -8.407 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.640 0.522 -8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.757 -1.079 -8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.430 -1.104 -7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.828 -2.408 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.248 -0.613 -10.726 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.320 -1.942 -10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.983 -0.309 -10.469 1.00 0.00 H new ATOM 510 N SER A 68 -40.831 2.291 -8.762 1.00 0.00 N ATOM 511 CA SER A 68 -41.389 3.087 -9.891 1.00 0.00 C ATOM 512 C SER A 68 -40.277 3.407 -10.892 1.00 0.00 C ATOM 513 O SER A 68 -39.119 3.510 -10.536 1.00 0.00 O ATOM 514 CB SER A 68 -41.982 4.391 -9.353 1.00 0.00 C ATOM 515 OG SER A 68 -42.947 4.095 -8.353 1.00 0.00 O ATOM 0 H SER A 68 -40.048 2.723 -8.272 1.00 0.00 H new ATOM 0 HA SER A 68 -42.169 2.511 -10.388 1.00 0.00 H new ATOM 0 HB2 SER A 68 -41.193 5.018 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.444 4.955 -10.164 1.00 0.00 H new ATOM 0 HG SER A 68 -43.326 4.930 -8.007 1.00 0.00 H new ATOM 521 N MET A 69 -40.618 3.568 -12.142 1.00 0.00 N ATOM 522 CA MET A 69 -39.580 3.883 -13.164 1.00 0.00 C ATOM 523 C MET A 69 -39.898 5.232 -13.812 1.00 0.00 C ATOM 524 O MET A 69 -41.037 5.540 -14.100 1.00 0.00 O ATOM 525 CB MET A 69 -39.572 2.791 -14.236 1.00 0.00 C ATOM 526 CG MET A 69 -38.985 1.505 -13.651 1.00 0.00 C ATOM 527 SD MET A 69 -37.293 1.817 -13.087 1.00 0.00 S ATOM 528 CE MET A 69 -36.595 2.252 -14.699 1.00 0.00 C ATOM 0 H MET A 69 -41.571 3.495 -12.499 1.00 0.00 H new ATOM 0 HA MET A 69 -38.601 3.930 -12.687 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.586 2.611 -14.594 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.984 3.114 -15.095 1.00 0.00 H new ATOM 0 HG2 MET A 69 -39.599 1.158 -12.820 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.990 0.716 -14.403 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.791 1.559 -14.946 1.00 0.00 H new ATOM 0 HE2 MET A 69 -37.373 2.192 -15.460 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.200 3.267 -14.663 1.00 0.00 H new ATOM 538 N ASP A 70 -38.900 6.040 -14.044 1.00 0.00 N ATOM 539 CA ASP A 70 -39.146 7.369 -14.672 1.00 0.00 C ATOM 540 C ASP A 70 -38.343 7.478 -15.969 1.00 0.00 C ATOM 541 O ASP A 70 -37.222 7.948 -15.978 1.00 0.00 O ATOM 542 CB ASP A 70 -38.710 8.476 -13.710 1.00 0.00 C ATOM 543 CG ASP A 70 -39.945 9.193 -13.161 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.813 8.517 -12.634 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.004 10.406 -13.280 1.00 0.00 O ATOM 0 H ASP A 70 -37.924 5.837 -13.826 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.208 7.475 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.129 8.052 -12.891 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.064 9.186 -14.226 1.00 0.00 H new ATOM 550 N PRO A 71 -38.933 7.031 -17.089 1.00 0.00 N ATOM 551 CA PRO A 71 -38.277 7.077 -18.396 1.00 0.00 C ATOM 552 C PRO A 71 -38.217 8.490 -19.011 1.00 0.00 C ATOM 553 O PRO A 71 -37.322 8.782 -19.778 1.00 0.00 O ATOM 554 CB PRO A 71 -39.133 6.154 -19.263 1.00 0.00 C ATOM 555 CG PRO A 71 -40.482 6.148 -18.624 1.00 0.00 C ATOM 556 CD PRO A 71 -40.284 6.444 -17.158 1.00 0.00 C ATOM 0 HA PRO A 71 -37.233 6.774 -18.318 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.186 6.517 -20.289 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.712 5.149 -19.302 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.128 6.896 -19.083 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.967 5.181 -18.759 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.039 7.136 -16.786 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.357 5.539 -16.555 1.00 0.00 H new ATOM 564 N PRO A 72 -39.170 9.394 -18.686 1.00 0.00 N ATOM 565 CA PRO A 72 -39.162 10.751 -19.244 1.00 0.00 C ATOM 566 C PRO A 72 -38.099 11.632 -18.582 1.00 0.00 C ATOM 567 O PRO A 72 -37.637 12.599 -19.154 1.00 0.00 O ATOM 568 CB PRO A 72 -40.553 11.288 -18.919 1.00 0.00 C ATOM 569 CG PRO A 72 -40.991 10.520 -17.717 1.00 0.00 C ATOM 570 CD PRO A 72 -40.311 9.179 -17.772 1.00 0.00 C ATOM 0 HA PRO A 72 -38.931 10.748 -20.309 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.525 12.358 -18.715 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.238 11.140 -19.754 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.722 11.050 -16.803 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -42.075 10.402 -17.710 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.977 8.860 -16.785 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.982 8.406 -18.146 1.00 0.00 H new ATOM 578 N ARG A 73 -37.709 11.307 -17.380 1.00 0.00 N ATOM 579 CA ARG A 73 -36.680 12.129 -16.683 1.00 0.00 C ATOM 580 C ARG A 73 -35.395 11.315 -16.515 1.00 0.00 C ATOM 581 O ARG A 73 -34.427 11.778 -15.946 1.00 0.00 O ATOM 582 CB ARG A 73 -37.207 12.540 -15.307 1.00 0.00 C ATOM 583 CG ARG A 73 -38.428 13.446 -15.478 1.00 0.00 C ATOM 584 CD ARG A 73 -38.853 13.990 -14.113 1.00 0.00 C ATOM 585 NE ARG A 73 -40.178 14.661 -14.235 1.00 0.00 N ATOM 586 CZ ARG A 73 -41.241 13.962 -14.527 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.801 14.086 -15.699 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.744 13.139 -13.648 1.00 0.00 N ATOM 0 H ARG A 73 -38.058 10.508 -16.851 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.467 13.019 -17.275 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.475 11.655 -14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.429 13.061 -14.749 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -38.192 14.269 -16.152 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -39.248 12.888 -15.931 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.910 13.178 -13.388 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -38.109 14.696 -13.743 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.254 15.668 -14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -41.408 14.729 -16.387 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -42.632 13.540 -15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -41.306 13.042 -12.732 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -42.575 12.593 -13.877 1.00 0.00 H new ATOM 602 N ASN A 74 -35.377 10.104 -17.003 1.00 0.00 N ATOM 603 CA ASN A 74 -34.153 9.266 -16.867 1.00 0.00 C ATOM 604 C ASN A 74 -33.865 9.023 -15.384 1.00 0.00 C ATOM 605 O ASN A 74 -32.734 9.082 -14.944 1.00 0.00 O ATOM 606 CB ASN A 74 -32.964 9.990 -17.504 1.00 0.00 C ATOM 607 CG ASN A 74 -33.248 10.228 -18.989 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.834 9.393 -19.649 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.852 11.341 -19.545 1.00 0.00 N ATOM 0 H ASN A 74 -36.156 9.660 -17.489 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.309 8.312 -17.370 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.790 10.940 -16.999 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.058 9.396 -17.387 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -33.035 11.510 -20.534 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -32.360 12.041 -18.990 1.00 0.00 H new ATOM 616 N CYS A 75 -34.879 8.750 -14.611 1.00 0.00 N ATOM 617 CA CYS A 75 -34.663 8.504 -13.158 1.00 0.00 C ATOM 618 C CYS A 75 -35.501 7.303 -12.713 1.00 0.00 C ATOM 619 O CYS A 75 -36.438 6.907 -13.377 1.00 0.00 O ATOM 620 CB CYS A 75 -35.085 9.743 -12.363 1.00 0.00 C ATOM 621 SG CYS A 75 -34.517 11.231 -13.222 1.00 0.00 S ATOM 0 H CYS A 75 -35.848 8.687 -14.923 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.608 8.297 -12.977 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.169 9.765 -12.252 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.662 9.706 -11.359 1.00 0.00 H new ATOM 0 HG CYS A 75 -34.622 12.256 -12.430 1.00 0.00 H new ATOM 627 N ALA A 76 -35.171 6.720 -11.594 1.00 0.00 N ATOM 628 CA ALA A 76 -35.948 5.544 -11.107 1.00 0.00 C ATOM 629 C ALA A 76 -36.166 5.666 -9.597 1.00 0.00 C ATOM 630 O ALA A 76 -35.378 6.267 -8.893 1.00 0.00 O ATOM 631 CB ALA A 76 -35.172 4.260 -11.407 1.00 0.00 C ATOM 0 H ALA A 76 -34.397 7.007 -10.995 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.913 5.512 -11.613 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.740 3.400 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.016 4.172 -12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.207 4.292 -10.902 1.00 0.00 H new ATOM 637 N PHE A 77 -37.229 5.103 -9.094 1.00 0.00 N ATOM 638 CA PHE A 77 -37.496 5.187 -7.630 1.00 0.00 C ATOM 639 C PHE A 77 -37.482 3.780 -7.028 1.00 0.00 C ATOM 640 O PHE A 77 -38.063 2.858 -7.565 1.00 0.00 O ATOM 641 CB PHE A 77 -38.866 5.828 -7.398 1.00 0.00 C ATOM 642 CG PHE A 77 -38.863 7.233 -7.949 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.361 8.286 -7.176 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.363 7.482 -9.233 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.357 9.589 -7.688 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.360 8.786 -9.744 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.857 9.839 -8.972 1.00 0.00 C ATOM 0 H PHE A 77 -37.925 4.588 -9.633 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.726 5.794 -7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.643 5.237 -7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -39.096 5.844 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.977 8.094 -6.185 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.751 6.669 -9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.968 10.402 -7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.746 8.979 -10.734 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.854 10.844 -9.366 1.00 0.00 H new ATOM 657 N VAL A 78 -36.820 3.606 -5.916 1.00 0.00 N ATOM 658 CA VAL A 78 -36.769 2.257 -5.283 1.00 0.00 C ATOM 659 C VAL A 78 -37.241 2.355 -3.831 1.00 0.00 C ATOM 660 O VAL A 78 -36.727 3.134 -3.052 1.00 0.00 O ATOM 661 CB VAL A 78 -35.333 1.733 -5.317 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.297 0.310 -4.755 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.826 1.724 -6.760 1.00 0.00 C ATOM 0 H VAL A 78 -36.313 4.339 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.419 1.575 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.696 2.379 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.274 -0.065 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.658 0.316 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.934 -0.336 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.802 1.350 -6.784 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.462 1.078 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.852 2.737 -7.161 1.00 0.00 H new ATOM 673 N THR A 79 -38.216 1.571 -3.461 1.00 0.00 N ATOM 674 CA THR A 79 -38.718 1.618 -2.059 1.00 0.00 C ATOM 675 C THR A 79 -38.251 0.367 -1.311 1.00 0.00 C ATOM 676 O THR A 79 -38.307 -0.732 -1.825 1.00 0.00 O ATOM 677 CB THR A 79 -40.248 1.667 -2.067 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.680 2.788 -2.824 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.764 1.788 -0.632 1.00 0.00 C ATOM 0 H THR A 79 -38.686 0.900 -4.069 1.00 0.00 H new ATOM 0 HA THR A 79 -38.329 2.506 -1.561 1.00 0.00 H new ATOM 0 HB THR A 79 -40.639 0.753 -2.515 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.714 2.548 -3.774 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.853 1.823 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.432 0.927 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.375 2.701 -0.181 1.00 0.00 H new ATOM 687 N TYR A 80 -37.789 0.526 -0.101 1.00 0.00 N ATOM 688 CA TYR A 80 -37.319 -0.657 0.675 1.00 0.00 C ATOM 689 C TYR A 80 -38.138 -0.785 1.960 1.00 0.00 C ATOM 690 O TYR A 80 -38.407 0.187 2.638 1.00 0.00 O ATOM 691 CB TYR A 80 -35.842 -0.477 1.031 1.00 0.00 C ATOM 692 CG TYR A 80 -34.984 -1.088 -0.052 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.239 -2.392 -0.494 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.936 -0.350 -0.613 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.444 -2.958 -1.499 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.141 -0.916 -1.617 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.395 -2.220 -2.060 1.00 0.00 C ATOM 698 OH TYR A 80 -32.611 -2.777 -3.049 1.00 0.00 O ATOM 0 H TYR A 80 -37.717 1.421 0.383 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.444 -1.558 0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.610 0.582 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.628 -0.950 1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.048 -2.961 -0.060 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.740 0.656 -0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.640 -3.963 -1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.332 -0.347 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.718 -3.751 -3.041 1.00 0.00 H new ATOM 708 N GLU A 81 -38.536 -1.980 2.302 1.00 0.00 N ATOM 709 CA GLU A 81 -39.334 -2.173 3.544 1.00 0.00 C ATOM 710 C GLU A 81 -38.469 -1.832 4.758 1.00 0.00 C ATOM 711 O GLU A 81 -38.964 -1.450 5.799 1.00 0.00 O ATOM 712 CB GLU A 81 -39.791 -3.630 3.634 1.00 0.00 C ATOM 713 CG GLU A 81 -40.770 -3.788 4.799 1.00 0.00 C ATOM 714 CD GLU A 81 -41.150 -5.263 4.948 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.654 -6.064 4.173 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.930 -5.566 5.836 1.00 0.00 O ATOM 0 H GLU A 81 -38.342 -2.831 1.774 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.207 -1.521 3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.268 -3.931 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.931 -4.284 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.317 -3.423 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.662 -3.187 4.623 1.00 0.00 H new ATOM 723 N LYS A 82 -37.177 -1.970 4.631 1.00 0.00 N ATOM 724 CA LYS A 82 -36.276 -1.655 5.776 1.00 0.00 C ATOM 725 C LYS A 82 -35.375 -0.475 5.406 1.00 0.00 C ATOM 726 O LYS A 82 -34.904 -0.366 4.291 1.00 0.00 O ATOM 727 CB LYS A 82 -35.409 -2.875 6.092 1.00 0.00 C ATOM 728 CG LYS A 82 -36.301 -4.036 6.534 1.00 0.00 C ATOM 729 CD LYS A 82 -35.426 -5.231 6.921 1.00 0.00 C ATOM 730 CE LYS A 82 -36.317 -6.412 7.306 1.00 0.00 C ATOM 731 NZ LYS A 82 -36.393 -7.369 6.166 1.00 0.00 N ATOM 0 H LYS A 82 -36.707 -2.287 3.783 1.00 0.00 H new ATOM 0 HA LYS A 82 -36.875 -1.397 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.831 -3.161 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.694 -2.632 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -36.918 -3.733 7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -36.980 -4.314 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.779 -5.506 6.088 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.776 -4.965 7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -35.916 -6.911 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -37.315 -6.059 7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.999 -8.173 6.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -36.794 -6.888 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -35.439 -7.715 5.939 1.00 0.00 H new ATOM 745 N MET A 83 -35.129 0.409 6.333 1.00 0.00 N ATOM 746 CA MET A 83 -34.256 1.579 6.031 1.00 0.00 C ATOM 747 C MET A 83 -32.818 1.098 5.823 1.00 0.00 C ATOM 748 O MET A 83 -32.002 1.780 5.235 1.00 0.00 O ATOM 749 CB MET A 83 -34.300 2.564 7.200 1.00 0.00 C ATOM 750 CG MET A 83 -35.729 3.085 7.375 1.00 0.00 C ATOM 751 SD MET A 83 -35.759 4.339 8.679 1.00 0.00 S ATOM 752 CE MET A 83 -37.552 4.581 8.722 1.00 0.00 C ATOM 0 H MET A 83 -35.494 0.372 7.285 1.00 0.00 H new ATOM 0 HA MET A 83 -34.610 2.074 5.127 1.00 0.00 H new ATOM 0 HB2 MET A 83 -33.965 2.075 8.115 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.619 3.395 7.015 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.090 3.510 6.438 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.398 2.263 7.630 1.00 0.00 H new ATOM 0 HE1 MET A 83 -37.800 5.330 9.474 1.00 0.00 H new ATOM 0 HE2 MET A 83 -37.897 4.920 7.745 1.00 0.00 H new ATOM 0 HE3 MET A 83 -38.040 3.639 8.973 1.00 0.00 H new ATOM 762 N GLU A 84 -32.502 -0.075 6.301 1.00 0.00 N ATOM 763 CA GLU A 84 -31.118 -0.601 6.131 1.00 0.00 C ATOM 764 C GLU A 84 -30.938 -1.108 4.698 1.00 0.00 C ATOM 765 O GLU A 84 -29.842 -1.138 4.173 1.00 0.00 O ATOM 766 CB GLU A 84 -30.886 -1.751 7.113 1.00 0.00 C ATOM 767 CG GLU A 84 -30.863 -1.204 8.543 1.00 0.00 C ATOM 768 CD GLU A 84 -30.472 -2.324 9.510 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.396 -3.459 9.071 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.257 -2.027 10.673 1.00 0.00 O ATOM 0 H GLU A 84 -33.142 -0.691 6.802 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.399 0.195 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.675 -2.496 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -29.944 -2.251 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.153 -0.380 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.843 -0.806 8.807 1.00 0.00 H new ATOM 777 N SER A 85 -32.005 -1.507 4.061 1.00 0.00 N ATOM 778 CA SER A 85 -31.892 -2.012 2.663 1.00 0.00 C ATOM 779 C SER A 85 -31.613 -0.839 1.723 1.00 0.00 C ATOM 780 O SER A 85 -30.946 -0.982 0.717 1.00 0.00 O ATOM 781 CB SER A 85 -33.202 -2.690 2.259 1.00 0.00 C ATOM 782 OG SER A 85 -33.503 -3.726 3.182 1.00 0.00 O ATOM 0 H SER A 85 -32.949 -1.505 4.447 1.00 0.00 H new ATOM 0 HA SER A 85 -31.077 -2.733 2.599 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.011 -1.960 2.239 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.117 -3.099 1.252 1.00 0.00 H new ATOM 0 HG SER A 85 -34.343 -4.160 2.924 1.00 0.00 H new ATOM 788 N ALA A 86 -32.119 0.320 2.041 1.00 0.00 N ATOM 789 CA ALA A 86 -31.883 1.503 1.166 1.00 0.00 C ATOM 790 C ALA A 86 -30.467 2.032 1.400 1.00 0.00 C ATOM 791 O ALA A 86 -29.753 2.354 0.471 1.00 0.00 O ATOM 792 CB ALA A 86 -32.899 2.596 1.502 1.00 0.00 C ATOM 0 H ALA A 86 -32.686 0.500 2.870 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.995 1.213 0.121 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.727 3.462 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.908 2.218 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.787 2.888 2.546 1.00 0.00 H new ATOM 798 N ASP A 87 -30.055 2.124 2.635 1.00 0.00 N ATOM 799 CA ASP A 87 -28.685 2.631 2.926 1.00 0.00 C ATOM 800 C ASP A 87 -27.651 1.645 2.381 1.00 0.00 C ATOM 801 O ASP A 87 -26.594 2.027 1.920 1.00 0.00 O ATOM 802 CB ASP A 87 -28.505 2.772 4.438 1.00 0.00 C ATOM 803 CG ASP A 87 -27.201 3.517 4.730 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.580 3.977 3.785 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.845 3.615 5.893 1.00 0.00 O ATOM 0 H ASP A 87 -30.608 1.870 3.454 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.548 3.602 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.349 3.313 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.486 1.788 4.906 1.00 0.00 H new ATOM 810 N GLN A 88 -27.950 0.376 2.431 1.00 0.00 N ATOM 811 CA GLN A 88 -26.987 -0.638 1.916 1.00 0.00 C ATOM 812 C GLN A 88 -26.932 -0.560 0.389 1.00 0.00 C ATOM 813 O GLN A 88 -25.895 -0.744 -0.215 1.00 0.00 O ATOM 814 CB GLN A 88 -27.443 -2.036 2.338 1.00 0.00 C ATOM 815 CG GLN A 88 -26.379 -3.061 1.939 1.00 0.00 C ATOM 816 CD GLN A 88 -25.163 -2.916 2.855 1.00 0.00 C ATOM 817 OE1 GLN A 88 -25.254 -3.143 4.045 1.00 0.00 O ATOM 818 NE2 GLN A 88 -24.019 -2.545 2.348 1.00 0.00 N ATOM 0 H GLN A 88 -28.820 -0.003 2.806 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.997 -0.439 2.326 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.607 -2.067 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.394 -2.279 1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.785 -4.070 2.013 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -26.085 -2.911 0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -23.942 -2.354 1.349 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -23.202 -2.446 2.951 1.00 0.00 H new ATOM 827 N ALA A 89 -28.044 -0.290 -0.237 1.00 0.00 N ATOM 828 CA ALA A 89 -28.059 -0.201 -1.725 1.00 0.00 C ATOM 829 C ALA A 89 -27.506 1.157 -2.162 1.00 0.00 C ATOM 830 O ALA A 89 -26.776 1.258 -3.129 1.00 0.00 O ATOM 831 CB ALA A 89 -29.496 -0.351 -2.228 1.00 0.00 C ATOM 0 H ALA A 89 -28.943 -0.127 0.217 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.441 -0.996 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.509 -0.286 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.891 -1.318 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -30.113 0.444 -1.810 1.00 0.00 H new ATOM 837 N VAL A 90 -27.847 2.202 -1.460 1.00 0.00 N ATOM 838 CA VAL A 90 -27.343 3.552 -1.838 1.00 0.00 C ATOM 839 C VAL A 90 -25.832 3.621 -1.600 1.00 0.00 C ATOM 840 O VAL A 90 -25.117 4.320 -2.289 1.00 0.00 O ATOM 841 CB VAL A 90 -28.042 4.613 -0.987 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.436 5.986 -1.285 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.535 4.631 -1.317 1.00 0.00 C ATOM 0 H VAL A 90 -28.453 2.179 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.552 3.735 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.907 4.378 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.934 6.743 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.372 5.973 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.570 6.221 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -30.033 5.387 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.671 4.865 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.967 3.653 -1.104 1.00 0.00 H new ATOM 853 N ALA A 91 -25.340 2.902 -0.627 1.00 0.00 N ATOM 854 CA ALA A 91 -23.877 2.931 -0.346 1.00 0.00 C ATOM 855 C ALA A 91 -23.144 2.026 -1.339 1.00 0.00 C ATOM 856 O ALA A 91 -22.037 2.311 -1.751 1.00 0.00 O ATOM 857 CB ALA A 91 -23.621 2.434 1.077 1.00 0.00 C ATOM 0 H ALA A 91 -25.888 2.297 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.511 3.953 -0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.551 2.455 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.140 3.079 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.990 1.413 1.178 1.00 0.00 H new ATOM 863 N GLU A 92 -23.750 0.937 -1.725 1.00 0.00 N ATOM 864 CA GLU A 92 -23.084 0.015 -2.688 1.00 0.00 C ATOM 865 C GLU A 92 -23.414 0.438 -4.121 1.00 0.00 C ATOM 866 O GLU A 92 -22.559 0.464 -4.984 1.00 0.00 O ATOM 867 CB GLU A 92 -23.579 -1.413 -2.451 1.00 0.00 C ATOM 868 CG GLU A 92 -22.989 -1.947 -1.144 1.00 0.00 C ATOM 869 CD GLU A 92 -23.247 -3.453 -1.047 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.783 -4.004 -1.994 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.903 -4.028 -0.027 1.00 0.00 O ATOM 0 H GLU A 92 -24.677 0.646 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 92 -22.005 0.057 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.668 -1.429 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.286 -2.054 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.918 -1.747 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.438 -1.434 -0.293 1.00 0.00 H new ATOM 878 N LEU A 93 -24.649 0.769 -4.383 1.00 0.00 N ATOM 879 CA LEU A 93 -25.032 1.187 -5.761 1.00 0.00 C ATOM 880 C LEU A 93 -24.391 2.539 -6.086 1.00 0.00 C ATOM 881 O LEU A 93 -23.907 2.762 -7.177 1.00 0.00 O ATOM 882 CB LEU A 93 -26.554 1.310 -5.853 1.00 0.00 C ATOM 883 CG LEU A 93 -27.193 -0.052 -5.572 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.682 0.001 -5.921 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.507 -1.122 -6.423 1.00 0.00 C ATOM 0 H LEU A 93 -25.409 0.768 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.683 0.440 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.914 2.048 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.842 1.662 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 93 -27.076 -0.297 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.137 -0.969 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.171 0.763 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.800 0.246 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.962 -2.092 -6.223 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.623 -0.877 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.446 -1.160 -6.174 1.00 0.00 H new ATOM 897 N ASN A 94 -24.385 3.445 -5.146 1.00 0.00 N ATOM 898 CA ASN A 94 -23.778 4.781 -5.402 1.00 0.00 C ATOM 899 C ASN A 94 -22.267 4.628 -5.594 1.00 0.00 C ATOM 900 O ASN A 94 -21.588 4.023 -4.789 1.00 0.00 O ATOM 901 CB ASN A 94 -24.051 5.701 -4.211 1.00 0.00 C ATOM 902 CG ASN A 94 -23.588 7.121 -4.545 1.00 0.00 C ATOM 903 OD1 ASN A 94 -24.096 7.738 -5.461 1.00 0.00 O ATOM 904 ND2 ASN A 94 -22.640 7.669 -3.836 1.00 0.00 N ATOM 0 H ASN A 94 -24.774 3.317 -4.212 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.216 5.212 -6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.115 5.700 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.528 5.335 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.325 8.615 -4.050 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -22.214 7.151 -3.067 1.00 0.00 H new ATOM 911 N GLY A 95 -21.737 5.175 -6.654 1.00 0.00 N ATOM 912 CA GLY A 95 -20.270 5.063 -6.897 1.00 0.00 C ATOM 913 C GLY A 95 -19.971 3.769 -7.655 1.00 0.00 C ATOM 914 O GLY A 95 -18.996 3.095 -7.391 1.00 0.00 O ATOM 0 H GLY A 95 -22.256 5.694 -7.362 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.920 5.921 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.733 5.073 -5.949 1.00 0.00 H new ATOM 918 N THR A 96 -20.802 3.415 -8.597 1.00 0.00 N ATOM 919 CA THR A 96 -20.560 2.164 -9.370 1.00 0.00 C ATOM 920 C THR A 96 -20.566 2.477 -10.868 1.00 0.00 C ATOM 921 O THR A 96 -21.018 3.522 -11.291 1.00 0.00 O ATOM 922 CB THR A 96 -21.663 1.150 -9.058 1.00 0.00 C ATOM 923 OG1 THR A 96 -22.886 1.591 -9.630 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.824 1.020 -7.542 1.00 0.00 C ATOM 0 H THR A 96 -21.637 3.937 -8.864 1.00 0.00 H new ATOM 0 HA THR A 96 -19.592 1.748 -9.090 1.00 0.00 H new ATOM 0 HB THR A 96 -21.395 0.180 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.417 2.054 -8.949 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.610 0.298 -7.320 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.885 0.681 -7.104 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.092 1.989 -7.120 1.00 0.00 H new ATOM 932 N GLN A 97 -20.066 1.580 -11.673 1.00 0.00 N ATOM 933 CA GLN A 97 -20.043 1.827 -13.142 1.00 0.00 C ATOM 934 C GLN A 97 -20.556 0.586 -13.875 1.00 0.00 C ATOM 935 O GLN A 97 -20.627 -0.492 -13.318 1.00 0.00 O ATOM 936 CB GLN A 97 -18.609 2.125 -13.587 1.00 0.00 C ATOM 937 CG GLN A 97 -18.595 2.437 -15.086 1.00 0.00 C ATOM 938 CD GLN A 97 -17.198 2.906 -15.495 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.333 3.080 -14.659 1.00 0.00 O ATOM 940 NE2 GLN A 97 -16.938 3.120 -16.756 1.00 0.00 N ATOM 0 H GLN A 97 -19.672 0.687 -11.377 1.00 0.00 H new ATOM 0 HA GLN A 97 -20.681 2.679 -13.377 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.210 2.970 -13.025 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -17.966 1.270 -13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -18.874 1.551 -15.656 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.331 3.208 -15.315 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.663 2.974 -17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.009 3.433 -17.039 1.00 0.00 H new ATOM 949 N VAL A 98 -20.913 0.729 -15.122 1.00 0.00 N ATOM 950 CA VAL A 98 -21.421 -0.442 -15.895 1.00 0.00 C ATOM 951 C VAL A 98 -20.492 -0.696 -17.081 1.00 0.00 C ATOM 952 O VAL A 98 -19.387 -0.194 -17.134 1.00 0.00 O ATOM 953 CB VAL A 98 -22.838 -0.160 -16.417 1.00 0.00 C ATOM 954 CG1 VAL A 98 -23.734 -1.365 -16.123 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.420 1.083 -15.737 1.00 0.00 C ATOM 0 H VAL A 98 -20.875 1.607 -15.640 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.449 -1.316 -15.244 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.791 0.016 -17.492 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -24.741 -1.169 -16.492 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.331 -2.248 -16.620 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -23.769 -1.538 -15.047 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.424 1.269 -16.118 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.464 0.921 -14.660 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -22.786 1.944 -15.949 1.00 0.00 H new ATOM 965 N GLU A 99 -20.930 -1.466 -18.040 1.00 0.00 N ATOM 966 CA GLU A 99 -20.064 -1.735 -19.221 1.00 0.00 C ATOM 967 C GLU A 99 -19.543 -0.406 -19.765 1.00 0.00 C ATOM 968 O GLU A 99 -18.526 -0.347 -20.427 1.00 0.00 O ATOM 969 CB GLU A 99 -20.876 -2.449 -20.304 1.00 0.00 C ATOM 970 CG GLU A 99 -21.339 -3.811 -19.783 1.00 0.00 C ATOM 971 CD GLU A 99 -22.113 -4.541 -20.884 1.00 0.00 C ATOM 972 OE1 GLU A 99 -22.406 -3.914 -21.889 1.00 0.00 O ATOM 973 OE2 GLU A 99 -22.396 -5.713 -20.703 1.00 0.00 O ATOM 0 H GLU A 99 -21.844 -1.918 -18.056 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.227 -2.369 -18.927 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.738 -1.844 -20.585 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.271 -2.578 -21.201 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.480 -4.405 -19.472 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.971 -3.681 -18.904 1.00 0.00 H new ATOM 980 N SER A 100 -20.236 0.665 -19.487 1.00 0.00 N ATOM 981 CA SER A 100 -19.786 1.996 -19.978 1.00 0.00 C ATOM 982 C SER A 100 -20.782 3.067 -19.527 1.00 0.00 C ATOM 983 O SER A 100 -21.046 4.022 -20.232 1.00 0.00 O ATOM 984 CB SER A 100 -19.707 1.979 -21.506 1.00 0.00 C ATOM 985 OG SER A 100 -21.018 1.917 -22.048 1.00 0.00 O ATOM 0 H SER A 100 -21.097 0.674 -18.939 1.00 0.00 H new ATOM 0 HA SER A 100 -18.801 2.221 -19.569 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.196 2.873 -21.864 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.123 1.122 -21.841 1.00 0.00 H new ATOM 0 HG SER A 100 -20.967 1.908 -23.027 1.00 0.00 H new ATOM 991 N VAL A 101 -21.339 2.914 -18.357 1.00 0.00 N ATOM 992 CA VAL A 101 -22.317 3.919 -17.857 1.00 0.00 C ATOM 993 C VAL A 101 -22.094 4.145 -16.359 1.00 0.00 C ATOM 994 O VAL A 101 -21.407 3.387 -15.704 1.00 0.00 O ATOM 995 CB VAL A 101 -23.737 3.400 -18.087 1.00 0.00 C ATOM 996 CG1 VAL A 101 -24.737 4.304 -17.365 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.040 3.397 -19.587 1.00 0.00 C ATOM 0 H VAL A 101 -21.158 2.134 -17.725 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.180 4.859 -18.391 1.00 0.00 H new ATOM 0 HB VAL A 101 -23.821 2.386 -17.696 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -25.748 3.933 -17.530 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.521 4.305 -16.297 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.656 5.319 -17.753 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.052 3.027 -19.753 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -23.956 4.411 -19.977 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.329 2.750 -20.101 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.668 5.182 -15.811 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.486 5.451 -14.356 1.00 0.00 C ATOM 1009 C GLN A 102 -23.854 5.651 -13.699 1.00 0.00 C ATOM 1010 O GLN A 102 -24.655 6.450 -14.139 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.641 6.714 -14.172 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.243 6.480 -14.750 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.384 7.727 -14.528 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -19.897 8.789 -14.237 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.088 7.641 -14.654 1.00 0.00 N ATOM 0 H GLN A 102 -23.254 5.853 -16.307 1.00 0.00 H new ATOM 0 HA GLN A 102 -21.980 4.605 -13.891 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.116 7.558 -14.671 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.571 6.967 -13.114 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.780 5.617 -14.272 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.311 6.257 -15.815 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.657 6.749 -14.898 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.506 8.466 -14.508 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.126 4.929 -12.645 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.441 5.077 -11.959 1.00 0.00 C ATOM 1026 C LEU A 103 -25.270 5.942 -10.707 1.00 0.00 C ATOM 1027 O LEU A 103 -24.177 6.109 -10.201 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.964 3.696 -11.555 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.461 3.788 -11.248 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.178 2.569 -11.832 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.670 3.825 -9.734 1.00 0.00 C ATOM 0 H LEU A 103 -23.495 4.244 -12.230 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.151 5.552 -12.636 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.790 2.980 -12.358 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.424 3.332 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.867 4.696 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.244 2.634 -11.613 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.030 2.542 -12.912 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.772 1.660 -11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.736 3.891 -9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.263 2.917 -9.288 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.160 4.694 -9.317 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.340 6.495 -10.205 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.237 7.349 -8.988 1.00 0.00 C ATOM 1045 C LYS A 104 -27.441 7.088 -8.081 1.00 0.00 C ATOM 1046 O LYS A 104 -28.577 7.268 -8.474 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.217 8.822 -9.400 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.924 9.692 -8.175 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.908 11.166 -8.589 1.00 0.00 C ATOM 1050 CE LYS A 104 -25.537 12.029 -7.383 1.00 0.00 C ATOM 1051 NZ LYS A 104 -24.870 13.277 -7.853 1.00 0.00 N ATOM 0 H LYS A 104 -27.281 6.392 -10.585 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.319 7.110 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -25.458 8.986 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.176 9.101 -9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -26.681 9.527 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.964 9.415 -7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.191 11.321 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -26.886 11.458 -8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -26.431 12.275 -6.809 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.873 11.477 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -24.617 13.865 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -24.009 13.032 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -25.518 13.805 -8.471 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.203 6.667 -6.868 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.336 6.396 -5.938 1.00 0.00 C ATOM 1067 C VAL A 105 -28.352 7.450 -4.828 1.00 0.00 C ATOM 1068 O VAL A 105 -27.343 7.733 -4.213 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.168 5.008 -5.318 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.375 4.698 -4.429 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -28.071 3.960 -6.428 1.00 0.00 C ATOM 0 H VAL A 105 -26.274 6.499 -6.482 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.274 6.437 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.258 4.986 -4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.256 3.709 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.445 5.444 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.284 4.720 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.951 2.971 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.980 3.981 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.212 4.180 -7.062 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.490 8.030 -4.567 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.573 9.063 -3.496 1.00 0.00 C ATOM 1083 C ASN A 106 -30.712 8.708 -2.537 1.00 0.00 C ATOM 1084 O ASN A 106 -31.471 7.790 -2.774 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.844 10.431 -4.126 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.769 10.733 -5.171 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.611 10.420 -4.977 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.105 11.330 -6.282 1.00 0.00 N ATOM 0 H ASN A 106 -30.367 7.834 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.631 9.097 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.830 10.441 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -29.846 11.203 -3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.396 11.533 -6.986 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.077 11.593 -6.446 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.836 9.427 -1.454 1.00 0.00 N ATOM 1096 CA ILE A 107 -31.925 9.125 -0.483 1.00 0.00 C ATOM 1097 C ILE A 107 -32.787 10.372 -0.274 1.00 0.00 C ATOM 1098 O ILE A 107 -32.285 11.449 -0.017 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.316 8.698 0.853 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.393 7.497 0.634 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.434 8.310 1.823 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.731 7.114 1.960 1.00 0.00 C ATOM 0 H ILE A 107 -30.231 10.209 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.544 8.318 -0.875 1.00 0.00 H new ATOM 0 HB ILE A 107 -30.743 9.526 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.962 6.654 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.632 7.740 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.000 8.006 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.092 9.165 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.008 7.483 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.073 6.259 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.148 7.957 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.499 6.854 2.688 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.080 10.234 -0.380 1.00 0.00 N ATOM 1115 CA ALA A 108 -34.974 11.410 -0.186 1.00 0.00 C ATOM 1116 C ALA A 108 -35.254 11.594 1.307 1.00 0.00 C ATOM 1117 O ALA A 108 -35.760 10.707 1.967 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.291 11.177 -0.927 1.00 0.00 C ATOM 0 H ALA A 108 -34.556 9.357 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 108 -34.490 12.304 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -36.945 12.037 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.092 11.044 -1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.776 10.283 -0.534 1.00 0.00 H new ATOM 1124 N ARG A 109 -34.928 12.736 1.847 1.00 0.00 N ATOM 1125 CA ARG A 109 -35.175 12.972 3.297 1.00 0.00 C ATOM 1126 C ARG A 109 -36.667 12.807 3.596 1.00 0.00 C ATOM 1127 O ARG A 109 -37.050 12.370 4.663 1.00 0.00 O ATOM 1128 CB ARG A 109 -34.733 14.391 3.664 1.00 0.00 C ATOM 1129 CG ARG A 109 -33.225 14.525 3.447 1.00 0.00 C ATOM 1130 CD ARG A 109 -32.759 15.898 3.932 1.00 0.00 C ATOM 1131 NE ARG A 109 -33.557 16.961 3.259 1.00 0.00 N ATOM 1132 CZ ARG A 109 -33.330 18.217 3.530 1.00 0.00 C ATOM 1133 NH1 ARG A 109 -34.278 18.957 4.036 1.00 0.00 N ATOM 1134 NH2 ARG A 109 -32.155 18.733 3.295 1.00 0.00 N ATOM 0 H ARG A 109 -34.501 13.516 1.347 1.00 0.00 H new ATOM 0 HA ARG A 109 -34.607 12.251 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -35.266 15.119 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -34.982 14.604 4.703 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -32.698 13.739 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -32.987 14.401 2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -32.874 15.972 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -31.699 16.032 3.715 1.00 0.00 H new ATOM 0 HE ARG A 109 -34.281 16.707 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -35.197 18.554 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -34.100 19.939 4.248 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -31.414 18.155 2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -31.978 19.715 3.507 1.00 0.00 H new ATOM 1148 N LYS A 110 -37.512 13.150 2.662 1.00 0.00 N ATOM 1149 CA LYS A 110 -38.978 13.009 2.896 1.00 0.00 C ATOM 1150 C LYS A 110 -39.361 11.528 2.838 1.00 0.00 C ATOM 1151 O LYS A 110 -38.950 10.805 1.952 1.00 0.00 O ATOM 1152 CB LYS A 110 -39.745 13.777 1.818 1.00 0.00 C ATOM 1153 CG LYS A 110 -41.240 13.745 2.137 1.00 0.00 C ATOM 1154 CD LYS A 110 -42.002 14.570 1.098 1.00 0.00 C ATOM 1155 CE LYS A 110 -41.955 13.857 -0.254 1.00 0.00 C ATOM 1156 NZ LYS A 110 -42.207 14.840 -1.345 1.00 0.00 N ATOM 0 H LYS A 110 -37.251 13.521 1.748 1.00 0.00 H new ATOM 0 HA LYS A 110 -39.230 13.413 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -39.394 14.808 1.771 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -39.561 13.333 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -41.601 12.716 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -41.418 14.144 3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -43.036 14.706 1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -41.562 15.563 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -40.983 13.384 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -42.702 13.064 -0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -42.175 14.354 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -43.144 15.271 -1.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -41.478 15.581 -1.320 1.00 0.00 H new ATOM 1170 N GLN A 111 -40.144 11.071 3.777 1.00 0.00 N ATOM 1171 CA GLN A 111 -40.550 9.638 3.774 1.00 0.00 C ATOM 1172 C GLN A 111 -42.077 9.539 3.739 1.00 0.00 C ATOM 1173 O GLN A 111 -42.728 9.486 4.764 1.00 0.00 O ATOM 1174 CB GLN A 111 -40.026 8.958 5.040 1.00 0.00 C ATOM 1175 CG GLN A 111 -40.053 9.953 6.202 1.00 0.00 C ATOM 1176 CD GLN A 111 -40.057 9.189 7.528 1.00 0.00 C ATOM 1177 OE1 GLN A 111 -39.802 8.002 7.559 1.00 0.00 O ATOM 1178 NE2 GLN A 111 -40.338 9.825 8.632 1.00 0.00 N ATOM 0 H GLN A 111 -40.519 11.628 4.545 1.00 0.00 H new ATOM 0 HA GLN A 111 -40.134 9.145 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -40.638 8.088 5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -39.010 8.599 4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -39.185 10.611 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -40.938 10.586 6.132 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -40.552 10.822 8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -40.343 9.325 9.521 1.00 0.00 H new ATOM 1187 N PRO A 112 -42.656 9.512 2.529 1.00 0.00 N ATOM 1188 CA PRO A 112 -44.110 9.418 2.347 1.00 0.00 C ATOM 1189 C PRO A 112 -44.644 8.043 2.757 1.00 0.00 C ATOM 1190 O PRO A 112 -43.999 7.032 2.562 1.00 0.00 O ATOM 1191 CB PRO A 112 -44.296 9.625 0.844 1.00 0.00 C ATOM 1192 CG PRO A 112 -42.997 9.204 0.245 1.00 0.00 C ATOM 1193 CD PRO A 112 -41.937 9.572 1.244 1.00 0.00 C ATOM 0 HA PRO A 112 -44.648 10.141 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -45.122 9.027 0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -44.521 10.666 0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -42.989 8.132 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -42.826 9.706 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -41.099 8.876 1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -41.532 10.566 1.055 1.00 0.00 H new ATOM 1201 N MET A 113 -45.818 7.997 3.324 1.00 0.00 N ATOM 1202 CA MET A 113 -46.392 6.688 3.745 1.00 0.00 C ATOM 1203 C MET A 113 -47.008 5.987 2.533 1.00 0.00 C ATOM 1204 O MET A 113 -48.184 5.677 2.514 1.00 0.00 O ATOM 1205 CB MET A 113 -47.471 6.920 4.804 1.00 0.00 C ATOM 1206 CG MET A 113 -46.841 7.564 6.041 1.00 0.00 C ATOM 1207 SD MET A 113 -48.076 7.672 7.360 1.00 0.00 S ATOM 1208 CE MET A 113 -48.127 5.910 7.769 1.00 0.00 C ATOM 0 H MET A 113 -46.405 8.809 3.514 1.00 0.00 H new ATOM 0 HA MET A 113 -45.602 6.063 4.163 1.00 0.00 H new ATOM 0 HB2 MET A 113 -48.255 7.564 4.405 1.00 0.00 H new ATOM 0 HB3 MET A 113 -47.941 5.974 5.073 1.00 0.00 H new ATOM 0 HG2 MET A 113 -45.987 6.975 6.375 1.00 0.00 H new ATOM 0 HG3 MET A 113 -46.467 8.558 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 113 -48.123 5.788 8.852 1.00 0.00 H new ATOM 0 HE2 MET A 113 -49.034 5.467 7.357 1.00 0.00 H new ATOM 0 HE3 MET A 113 -47.255 5.413 7.344 1.00 0.00 H new TER 1218 MET A 113