USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 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 58 THR OG1 : rot -170:sc= -0.77 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.503 USER MOD Set 2.1: A 11 THR OG1 : rot -72:sc= -0.169 USER MOD Set 2.2: A 38 THR OG1 : rot -24:sc= -0.109 USER MOD Single : A 4 SER OG : rot 36:sc= -0.27 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 12 THR OG1 : rot 69:sc= 0.215 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 175:sc= -0.148 USER MOD Single : A 31 MET CE :methyl -150:sc= -0.0444 (180deg=-1.53!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0.895 (180deg=0.843) USER MOD Single : A 37 GLN : amide:sc= -0.0062 X(o=-0.0062,f=-0.0062) USER MOD Single : A 44 GLN : amide:sc= -0.718 K(o=-0.72,f=-0.0027) USER MOD Single : A 49 TYR OH : rot 92:sc= 0.0287 USER MOD Single : A 50 ASN : amide:sc= -0.039 K(o=-0.039,f=-0.68) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 29:sc= 0.0657 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -2.620 -3.709 -2.285 1.00 0.00 N ATOM 29 CA SER A 4 -3.563 -2.589 -2.337 1.00 0.00 C ATOM 30 C SER A 4 -3.167 -1.573 -3.436 1.00 0.00 C ATOM 31 O SER A 4 -2.114 -1.698 -4.083 1.00 0.00 O ATOM 32 CB SER A 4 -3.614 -1.922 -0.944 1.00 0.00 C ATOM 33 OG SER A 4 -3.815 -2.889 0.084 1.00 0.00 O ATOM 0 HA SER A 4 -4.555 -2.959 -2.597 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.685 -1.382 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.419 -1.188 -0.919 1.00 0.00 H new ATOM 0 HG SER A 4 -3.343 -3.716 -0.148 1.00 0.00 H new ATOM 39 N LEU A 5 -4.020 -0.558 -3.606 1.00 0.00 N ATOM 40 CA LEU A 5 -3.938 0.432 -4.687 1.00 0.00 C ATOM 41 C LEU A 5 -4.683 1.707 -4.264 1.00 0.00 C ATOM 42 O LEU A 5 -5.731 1.625 -3.620 1.00 0.00 O ATOM 43 CB LEU A 5 -4.500 -0.179 -6.013 1.00 0.00 C ATOM 44 CG LEU A 5 -5.854 -0.984 -5.948 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.107 -0.073 -5.958 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.919 -2.020 -7.087 1.00 0.00 C ATOM 0 H LEU A 5 -4.808 -0.397 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.899 0.703 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.631 0.635 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.738 -0.842 -6.423 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.864 -1.503 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.005 -0.689 -5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.079 0.594 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.120 0.518 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.860 -2.567 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.856 -1.509 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.087 -2.718 -6.992 1.00 0.00 H new ATOM 58 N GLU A 6 -4.151 2.881 -4.623 1.00 0.00 N ATOM 59 CA GLU A 6 -4.724 4.173 -4.193 1.00 0.00 C ATOM 60 C GLU A 6 -5.373 4.900 -5.378 1.00 0.00 C ATOM 61 O GLU A 6 -4.688 5.301 -6.322 1.00 0.00 O ATOM 62 CB GLU A 6 -3.644 5.051 -3.520 1.00 0.00 C ATOM 63 CG GLU A 6 -4.176 6.388 -2.968 1.00 0.00 C ATOM 64 CD GLU A 6 -3.155 7.130 -2.106 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.219 7.740 -2.669 1.00 0.00 O ATOM 66 OE2 GLU A 6 -3.281 7.111 -0.863 1.00 0.00 O ATOM 0 H GLU A 6 -3.323 2.969 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.503 3.977 -3.456 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.190 4.488 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.855 5.257 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.471 7.026 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.072 6.199 -2.377 1.00 0.00 H new ATOM 73 N ILE A 7 -6.703 5.048 -5.308 1.00 0.00 N ATOM 74 CA ILE A 7 -7.530 5.639 -6.378 1.00 0.00 C ATOM 75 C ILE A 7 -8.107 6.996 -5.940 1.00 0.00 C ATOM 76 O ILE A 7 -7.864 7.458 -4.815 1.00 0.00 O ATOM 77 CB ILE A 7 -8.707 4.670 -6.756 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.650 4.432 -5.525 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.149 3.337 -7.300 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.891 3.619 -5.824 1.00 0.00 C ATOM 0 H ILE A 7 -7.246 4.757 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.892 5.792 -7.248 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.302 5.135 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.083 3.928 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.954 5.400 -5.126 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.975 2.675 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.548 3.530 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.529 2.864 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.480 3.507 -4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.486 4.129 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.601 2.635 -6.192 1.00 0.00 H new ATOM 92 N LYS A 8 -8.895 7.617 -6.839 1.00 0.00 N ATOM 93 CA LYS A 8 -9.522 8.932 -6.605 1.00 0.00 C ATOM 94 C LYS A 8 -11.024 8.886 -6.906 1.00 0.00 C ATOM 95 O LYS A 8 -11.453 8.120 -7.767 1.00 0.00 O ATOM 96 CB LYS A 8 -8.829 10.006 -7.483 1.00 0.00 C ATOM 97 CG LYS A 8 -7.314 10.228 -7.159 1.00 0.00 C ATOM 98 CD LYS A 8 -6.391 9.929 -8.356 1.00 0.00 C ATOM 99 CE LYS A 8 -6.670 10.861 -9.548 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.718 10.657 -10.667 1.00 0.00 N ATOM 0 H LYS A 8 -9.115 7.219 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.399 9.193 -5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.926 9.719 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.356 10.952 -7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.164 11.260 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.030 9.591 -6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.351 10.037 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.525 8.893 -8.667 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.686 10.693 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.616 11.897 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.950 11.309 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.749 10.843 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.786 9.676 -11.006 1.00 0.00 H new ATOM 114 N ILE A 9 -11.823 9.696 -6.167 1.00 0.00 N ATOM 115 CA ILE A 9 -13.291 9.795 -6.371 1.00 0.00 C ATOM 116 C ILE A 9 -13.695 11.286 -6.492 1.00 0.00 C ATOM 117 O ILE A 9 -13.711 12.024 -5.496 1.00 0.00 O ATOM 118 CB ILE A 9 -14.157 9.123 -5.216 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.820 7.596 -4.985 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.676 9.292 -5.517 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.572 7.311 -4.151 1.00 0.00 C ATOM 0 H ILE A 9 -11.472 10.294 -5.419 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.505 9.243 -7.286 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.897 9.643 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.674 7.124 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.702 7.118 -5.957 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.258 8.829 -4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.920 10.353 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.914 8.813 -6.467 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.436 6.234 -4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.700 7.745 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.688 7.751 -3.160 1.00 0.00 H new ATOM 133 N ARG A 10 -14.014 11.711 -7.718 1.00 0.00 N ATOM 134 CA ARG A 10 -14.443 13.083 -8.028 1.00 0.00 C ATOM 135 C ARG A 10 -15.957 13.226 -7.747 1.00 0.00 C ATOM 136 O ARG A 10 -16.786 12.708 -8.495 1.00 0.00 O ATOM 137 CB ARG A 10 -14.122 13.386 -9.516 1.00 0.00 C ATOM 138 CG ARG A 10 -14.393 14.840 -9.963 1.00 0.00 C ATOM 139 CD ARG A 10 -14.179 15.033 -11.476 1.00 0.00 C ATOM 140 NE ARG A 10 -14.269 16.448 -11.869 1.00 0.00 N ATOM 141 CZ ARG A 10 -14.778 16.902 -13.021 1.00 0.00 C ATOM 142 NH1 ARG A 10 -15.381 16.086 -13.874 1.00 0.00 N ATOM 143 NH2 ARG A 10 -14.704 18.188 -13.297 1.00 0.00 N ATOM 0 H ARG A 10 -13.982 11.104 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.911 13.798 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.072 13.156 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.709 12.715 -10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.416 15.113 -9.705 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.735 15.515 -9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.202 14.640 -11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.924 14.456 -12.024 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.914 17.140 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.464 15.093 -13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.762 16.451 -14.747 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.262 18.827 -12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.088 18.545 -14.172 1.00 0.00 H new ATOM 157 N THR A 11 -16.294 13.928 -6.665 1.00 0.00 N ATOM 158 CA THR A 11 -17.660 13.996 -6.127 1.00 0.00 C ATOM 159 C THR A 11 -18.535 15.053 -6.836 1.00 0.00 C ATOM 160 O THR A 11 -18.028 15.907 -7.576 1.00 0.00 O ATOM 161 CB THR A 11 -17.581 14.324 -4.603 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.112 15.668 -4.406 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.620 13.368 -3.885 1.00 0.00 C ATOM 0 H THR A 11 -15.620 14.474 -6.128 1.00 0.00 H new ATOM 0 HA THR A 11 -18.132 13.029 -6.300 1.00 0.00 H new ATOM 0 HB THR A 11 -18.584 14.211 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.158 15.717 -4.624 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.583 13.618 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.970 12.343 -4.004 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.623 13.463 -4.315 1.00 0.00 H new ATOM 171 N THR A 12 -19.856 14.994 -6.567 1.00 0.00 N ATOM 172 CA THR A 12 -20.824 16.043 -6.966 1.00 0.00 C ATOM 173 C THR A 12 -20.582 17.359 -6.203 1.00 0.00 C ATOM 174 O THR A 12 -21.093 18.413 -6.600 1.00 0.00 O ATOM 175 CB THR A 12 -22.297 15.569 -6.724 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.385 14.904 -5.452 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.796 14.639 -7.839 1.00 0.00 C ATOM 0 H THR A 12 -20.285 14.216 -6.066 1.00 0.00 H new ATOM 0 HA THR A 12 -20.673 16.224 -8.030 1.00 0.00 H new ATOM 0 HB THR A 12 -22.936 16.452 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.267 15.558 -4.732 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.822 14.336 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.762 15.164 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.160 13.755 -7.888 1.00 0.00 H new ATOM 185 N GLU A 13 -19.818 17.273 -5.102 1.00 0.00 N ATOM 186 CA GLU A 13 -19.408 18.440 -4.307 1.00 0.00 C ATOM 187 C GLU A 13 -18.355 19.267 -5.079 1.00 0.00 C ATOM 188 O GLU A 13 -18.163 20.454 -4.810 1.00 0.00 O ATOM 189 CB GLU A 13 -18.853 17.978 -2.928 1.00 0.00 C ATOM 190 CG GLU A 13 -19.720 16.922 -2.195 1.00 0.00 C ATOM 191 CD GLU A 13 -21.221 17.271 -2.142 1.00 0.00 C ATOM 192 OE1 GLU A 13 -22.018 16.643 -2.880 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.601 18.191 -1.388 1.00 0.00 O ATOM 0 H GLU A 13 -19.466 16.388 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.276 19.075 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.854 17.568 -3.074 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.748 18.851 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.599 15.959 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.348 16.805 -1.177 1.00 0.00 H new ATOM 200 N GLY A 14 -17.671 18.610 -6.038 1.00 0.00 N ATOM 201 CA GLY A 14 -16.697 19.270 -6.917 1.00 0.00 C ATOM 202 C GLY A 14 -15.260 19.108 -6.445 1.00 0.00 C ATOM 203 O GLY A 14 -14.369 19.838 -6.896 1.00 0.00 O ATOM 0 H GLY A 14 -17.781 17.612 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.790 18.862 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.935 20.332 -6.980 1.00 0.00 H new ATOM 207 N ARG A 15 -15.035 18.146 -5.539 1.00 0.00 N ATOM 208 CA ARG A 15 -13.695 17.824 -5.007 1.00 0.00 C ATOM 209 C ARG A 15 -13.292 16.414 -5.457 1.00 0.00 C ATOM 210 O ARG A 15 -14.155 15.564 -5.664 1.00 0.00 O ATOM 211 CB ARG A 15 -13.697 17.910 -3.458 1.00 0.00 C ATOM 212 CG ARG A 15 -14.611 16.885 -2.753 1.00 0.00 C ATOM 213 CD ARG A 15 -14.440 16.882 -1.229 1.00 0.00 C ATOM 214 NE ARG A 15 -14.898 18.136 -0.602 1.00 0.00 N ATOM 215 CZ ARG A 15 -14.681 18.491 0.681 1.00 0.00 C ATOM 216 NH1 ARG A 15 -13.945 17.742 1.496 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.211 19.610 1.143 1.00 0.00 N ATOM 0 H ARG A 15 -15.778 17.565 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.974 18.545 -5.392 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.677 17.773 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.006 18.913 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.650 17.105 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.397 15.889 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.996 16.045 -0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.390 16.722 -0.986 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.422 18.788 -1.186 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.529 16.875 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.797 18.034 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.778 20.196 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.053 19.887 2.112 1.00 0.00 H new ATOM 231 N THR A 16 -11.988 16.165 -5.617 1.00 0.00 N ATOM 232 CA THR A 16 -11.475 14.827 -5.954 1.00 0.00 C ATOM 233 C THR A 16 -10.766 14.236 -4.722 1.00 0.00 C ATOM 234 O THR A 16 -9.800 14.809 -4.216 1.00 0.00 O ATOM 235 CB THR A 16 -10.508 14.882 -7.182 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.165 15.543 -8.277 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.075 13.479 -7.646 1.00 0.00 C ATOM 0 H THR A 16 -11.263 16.875 -5.518 1.00 0.00 H new ATOM 0 HA THR A 16 -12.311 14.186 -6.233 1.00 0.00 H new ATOM 0 HB THR A 16 -9.617 15.428 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.560 15.580 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.405 13.569 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.559 12.970 -6.832 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.955 12.903 -7.934 1.00 0.00 H new ATOM 245 N LEU A 17 -11.278 13.097 -4.243 1.00 0.00 N ATOM 246 CA LEU A 17 -10.780 12.406 -3.041 1.00 0.00 C ATOM 247 C LEU A 17 -9.632 11.493 -3.441 1.00 0.00 C ATOM 248 O LEU A 17 -9.461 11.226 -4.623 1.00 0.00 O ATOM 249 CB LEU A 17 -11.929 11.576 -2.407 1.00 0.00 C ATOM 250 CG LEU A 17 -13.248 12.363 -2.149 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.398 11.422 -1.752 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.042 13.482 -1.102 1.00 0.00 C ATOM 0 H LEU A 17 -12.063 12.619 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.428 13.133 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.150 10.732 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.579 11.164 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.531 12.842 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.302 12.005 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.575 10.706 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.132 10.887 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.982 14.011 -0.946 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.712 13.043 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.287 14.181 -1.461 1.00 0.00 H new ATOM 264 N THR A 18 -8.844 11.021 -2.473 1.00 0.00 N ATOM 265 CA THR A 18 -7.759 10.064 -2.736 1.00 0.00 C ATOM 266 C THR A 18 -7.663 9.069 -1.557 1.00 0.00 C ATOM 267 O THR A 18 -7.225 9.443 -0.459 1.00 0.00 O ATOM 268 CB THR A 18 -6.391 10.806 -2.955 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.548 11.852 -3.931 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.277 9.855 -3.436 1.00 0.00 C ATOM 0 H THR A 18 -8.935 11.286 -1.492 1.00 0.00 H new ATOM 0 HA THR A 18 -7.981 9.517 -3.652 1.00 0.00 H new ATOM 0 HB THR A 18 -6.099 11.217 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.691 12.310 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.353 10.417 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.120 9.073 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.569 9.402 -4.383 1.00 0.00 H new ATOM 278 N VAL A 19 -8.122 7.816 -1.781 1.00 0.00 N ATOM 279 CA VAL A 19 -8.138 6.745 -0.750 1.00 0.00 C ATOM 280 C VAL A 19 -7.451 5.473 -1.279 1.00 0.00 C ATOM 281 O VAL A 19 -7.474 5.206 -2.489 1.00 0.00 O ATOM 282 CB VAL A 19 -9.608 6.385 -0.287 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.307 7.600 0.360 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.462 5.801 -1.452 1.00 0.00 C ATOM 0 H VAL A 19 -8.493 7.516 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.592 7.131 0.111 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.520 5.606 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.315 7.319 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.739 7.925 1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.361 8.415 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.463 5.569 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.529 6.533 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.992 4.892 -1.827 1.00 0.00 H new ATOM 294 N ASP A 20 -6.849 4.686 -0.369 1.00 0.00 N ATOM 295 CA ASP A 20 -6.215 3.401 -0.716 1.00 0.00 C ATOM 296 C ASP A 20 -7.116 2.223 -0.277 1.00 0.00 C ATOM 297 O ASP A 20 -7.610 2.178 0.857 1.00 0.00 O ATOM 298 CB ASP A 20 -4.781 3.297 -0.121 1.00 0.00 C ATOM 299 CG ASP A 20 -4.725 3.278 1.415 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.475 2.201 2.000 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.925 4.337 2.047 1.00 0.00 O ATOM 0 H ASP A 20 -6.788 4.921 0.622 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.106 3.349 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.310 2.390 -0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.190 4.138 -0.483 1.00 0.00 H new ATOM 306 N VAL A 21 -7.329 1.292 -1.215 1.00 0.00 N ATOM 307 CA VAL A 21 -8.244 0.134 -1.096 1.00 0.00 C ATOM 308 C VAL A 21 -7.609 -1.072 -1.819 1.00 0.00 C ATOM 309 O VAL A 21 -6.511 -0.960 -2.354 1.00 0.00 O ATOM 310 CB VAL A 21 -9.661 0.446 -1.729 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.471 1.452 -0.871 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.504 0.946 -3.192 1.00 0.00 C ATOM 0 H VAL A 21 -6.853 1.320 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.394 -0.086 -0.039 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.230 -0.483 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.436 1.637 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.627 1.038 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.920 2.389 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.488 1.156 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.903 1.855 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.011 0.178 -3.788 1.00 0.00 H new ATOM 322 N LYS A 22 -8.307 -2.217 -1.852 1.00 0.00 N ATOM 323 CA LYS A 22 -7.772 -3.469 -2.442 1.00 0.00 C ATOM 324 C LYS A 22 -8.673 -3.932 -3.615 1.00 0.00 C ATOM 325 O LYS A 22 -9.875 -3.677 -3.581 1.00 0.00 O ATOM 326 CB LYS A 22 -7.702 -4.555 -1.341 1.00 0.00 C ATOM 327 CG LYS A 22 -6.925 -4.126 -0.076 1.00 0.00 C ATOM 328 CD LYS A 22 -6.825 -5.249 0.975 1.00 0.00 C ATOM 329 CE LYS A 22 -5.968 -6.439 0.509 1.00 0.00 C ATOM 330 NZ LYS A 22 -5.959 -7.542 1.512 1.00 0.00 N ATOM 0 H LYS A 22 -9.251 -2.309 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.771 -3.294 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.717 -4.831 -1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.234 -5.447 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.921 -3.812 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.415 -3.261 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.402 -4.842 1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.827 -5.603 1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.352 -6.814 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.947 -6.103 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.371 -8.325 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.569 -7.191 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.931 -7.880 1.665 1.00 0.00 H new ATOM 344 N PRO A 23 -8.114 -4.627 -4.668 1.00 0.00 N ATOM 345 CA PRO A 23 -8.899 -5.079 -5.856 1.00 0.00 C ATOM 346 C PRO A 23 -9.958 -6.159 -5.526 1.00 0.00 C ATOM 347 O PRO A 23 -10.938 -6.309 -6.265 1.00 0.00 O ATOM 348 CB PRO A 23 -7.807 -5.612 -6.824 1.00 0.00 C ATOM 349 CG PRO A 23 -6.676 -6.011 -5.926 1.00 0.00 C ATOM 350 CD PRO A 23 -6.682 -5.004 -4.798 1.00 0.00 C ATOM 0 HA PRO A 23 -9.495 -4.270 -6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.171 -6.459 -7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.498 -4.846 -7.535 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.813 -7.024 -5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.726 -5.996 -6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.296 -5.435 -3.874 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.060 -4.139 -5.030 1.00 0.00 H new ATOM 358 N ASP A 24 -9.766 -6.889 -4.402 1.00 0.00 N ATOM 359 CA ASP A 24 -10.733 -7.913 -3.923 1.00 0.00 C ATOM 360 C ASP A 24 -11.993 -7.265 -3.321 1.00 0.00 C ATOM 361 O ASP A 24 -13.008 -7.946 -3.124 1.00 0.00 O ATOM 362 CB ASP A 24 -10.085 -8.857 -2.869 1.00 0.00 C ATOM 363 CG ASP A 24 -9.668 -8.146 -1.564 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.522 -7.667 -1.485 1.00 0.00 O ATOM 365 OD2 ASP A 24 -10.489 -8.060 -0.618 1.00 0.00 O ATOM 0 H ASP A 24 -8.945 -6.789 -3.805 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.023 -8.500 -4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.789 -9.654 -2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.207 -9.330 -3.310 1.00 0.00 H new ATOM 370 N ARG A 25 -11.913 -5.953 -3.015 1.00 0.00 N ATOM 371 CA ARG A 25 -13.011 -5.206 -2.379 1.00 0.00 C ATOM 372 C ARG A 25 -14.110 -4.908 -3.402 1.00 0.00 C ATOM 373 O ARG A 25 -13.855 -4.898 -4.603 1.00 0.00 O ATOM 374 CB ARG A 25 -12.473 -3.894 -1.743 1.00 0.00 C ATOM 375 CG ARG A 25 -11.379 -4.113 -0.674 1.00 0.00 C ATOM 376 CD ARG A 25 -11.845 -5.001 0.490 1.00 0.00 C ATOM 377 NE ARG A 25 -10.735 -5.341 1.403 1.00 0.00 N ATOM 378 CZ ARG A 25 -10.723 -5.131 2.733 1.00 0.00 C ATOM 379 NH1 ARG A 25 -11.756 -4.561 3.345 1.00 0.00 N ATOM 380 NH2 ARG A 25 -9.664 -5.503 3.446 1.00 0.00 N ATOM 0 H ARG A 25 -11.086 -5.386 -3.203 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.441 -5.817 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.072 -3.258 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.305 -3.354 -1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.506 -4.567 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.063 -3.146 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.629 -4.487 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.283 -5.917 0.095 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.907 -5.771 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.574 -4.276 2.806 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.731 -4.409 4.353 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.868 -5.944 2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.648 -5.347 4.454 1.00 0.00 H new ATOM 394 N THR A 26 -15.334 -4.697 -2.915 1.00 0.00 N ATOM 395 CA THR A 26 -16.490 -4.360 -3.756 1.00 0.00 C ATOM 396 C THR A 26 -16.626 -2.839 -3.868 1.00 0.00 C ATOM 397 O THR A 26 -15.960 -2.090 -3.138 1.00 0.00 O ATOM 398 CB THR A 26 -17.808 -4.982 -3.188 1.00 0.00 C ATOM 399 OG1 THR A 26 -17.998 -4.567 -1.824 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.789 -6.522 -3.260 1.00 0.00 C ATOM 0 H THR A 26 -15.555 -4.755 -1.921 1.00 0.00 H new ATOM 0 HA THR A 26 -16.324 -4.781 -4.748 1.00 0.00 H new ATOM 0 HB THR A 26 -18.634 -4.625 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.864 -4.892 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.721 -6.917 -2.856 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.681 -6.836 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 -16.951 -6.903 -2.677 1.00 0.00 H new ATOM 408 N ILE A 27 -17.480 -2.379 -4.798 1.00 0.00 N ATOM 409 CA ILE A 27 -17.732 -0.943 -5.000 1.00 0.00 C ATOM 410 C ILE A 27 -18.417 -0.355 -3.745 1.00 0.00 C ATOM 411 O ILE A 27 -18.227 0.813 -3.445 1.00 0.00 O ATOM 412 CB ILE A 27 -18.577 -0.677 -6.310 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.864 -1.273 -7.570 1.00 0.00 C ATOM 414 CG2 ILE A 27 -18.888 0.829 -6.522 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.484 -0.714 -7.875 1.00 0.00 C ATOM 0 H ILE A 27 -18.010 -2.985 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.777 -0.437 -5.143 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.531 -1.186 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.778 -2.352 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.502 -1.107 -8.438 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.470 0.955 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.458 1.206 -5.673 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.954 1.385 -6.607 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.085 -1.197 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.556 0.360 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.820 -0.904 -7.032 1.00 0.00 H new ATOM 427 N GLU A 28 -19.164 -1.214 -2.998 1.00 0.00 N ATOM 428 CA GLU A 28 -19.753 -0.879 -1.671 1.00 0.00 C ATOM 429 C GLU A 28 -18.711 -0.255 -0.727 1.00 0.00 C ATOM 430 O GLU A 28 -18.993 0.742 -0.060 1.00 0.00 O ATOM 431 CB GLU A 28 -20.339 -2.154 -1.005 1.00 0.00 C ATOM 432 CG GLU A 28 -21.542 -2.756 -1.744 1.00 0.00 C ATOM 433 CD GLU A 28 -21.957 -4.135 -1.221 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.231 -5.118 -1.483 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.007 -4.242 -0.549 1.00 0.00 O ATOM 0 H GLU A 28 -19.376 -2.164 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.545 -0.150 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.555 -2.908 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.638 -1.912 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.388 -2.075 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.303 -2.836 -2.805 1.00 0.00 H new ATOM 442 N GLU A 29 -17.512 -0.866 -0.711 1.00 0.00 N ATOM 443 CA GLU A 29 -16.366 -0.407 0.088 1.00 0.00 C ATOM 444 C GLU A 29 -15.993 1.033 -0.298 1.00 0.00 C ATOM 445 O GLU A 29 -15.835 1.883 0.571 1.00 0.00 O ATOM 446 CB GLU A 29 -15.164 -1.374 -0.123 1.00 0.00 C ATOM 447 CG GLU A 29 -15.433 -2.840 0.306 1.00 0.00 C ATOM 448 CD GLU A 29 -15.363 -3.057 1.829 1.00 0.00 C ATOM 449 OE1 GLU A 29 -14.302 -3.489 2.328 1.00 0.00 O ATOM 450 OE2 GLU A 29 -16.357 -2.795 2.539 1.00 0.00 O ATOM 0 H GLU A 29 -17.312 -1.702 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.633 -0.411 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.886 -1.363 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.308 -0.997 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.418 -3.140 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.706 -3.491 -0.180 1.00 0.00 H new ATOM 457 N LEU A 30 -15.921 1.290 -1.623 1.00 0.00 N ATOM 458 CA LEU A 30 -15.583 2.621 -2.178 1.00 0.00 C ATOM 459 C LEU A 30 -16.633 3.663 -1.781 1.00 0.00 C ATOM 460 O LEU A 30 -16.293 4.787 -1.428 1.00 0.00 O ATOM 461 CB LEU A 30 -15.485 2.574 -3.724 1.00 0.00 C ATOM 462 CG LEU A 30 -14.532 1.501 -4.319 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.466 1.608 -5.858 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.129 1.575 -3.679 1.00 0.00 C ATOM 0 H LEU A 30 -16.095 0.583 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.615 2.904 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.484 2.405 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.161 3.553 -4.077 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.942 0.521 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.792 0.845 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.462 1.460 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.098 2.595 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.488 0.811 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.697 2.559 -3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.210 1.407 -2.605 1.00 0.00 H new ATOM 476 N MET A 31 -17.909 3.247 -1.866 1.00 0.00 N ATOM 477 CA MET A 31 -19.081 4.067 -1.533 1.00 0.00 C ATOM 478 C MET A 31 -19.024 4.544 -0.066 1.00 0.00 C ATOM 479 O MET A 31 -19.402 5.677 0.250 1.00 0.00 O ATOM 480 CB MET A 31 -20.389 3.273 -1.830 1.00 0.00 C ATOM 481 CG MET A 31 -20.547 2.827 -3.296 1.00 0.00 C ATOM 482 SD MET A 31 -22.253 2.464 -3.778 1.00 0.00 S ATOM 483 CE MET A 31 -22.761 4.032 -4.483 1.00 0.00 C ATOM 0 H MET A 31 -18.157 2.307 -2.176 1.00 0.00 H new ATOM 0 HA MET A 31 -19.076 4.959 -2.160 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.417 2.391 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.244 3.891 -1.557 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.156 3.609 -3.947 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.937 1.939 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.833 4.167 -4.336 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.222 4.843 -3.993 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.537 4.041 -5.550 1.00 0.00 H new ATOM 493 N GLU A 32 -18.505 3.679 0.808 1.00 0.00 N ATOM 494 CA GLU A 32 -18.323 3.989 2.235 1.00 0.00 C ATOM 495 C GLU A 32 -17.150 4.956 2.453 1.00 0.00 C ATOM 496 O GLU A 32 -17.230 5.848 3.305 1.00 0.00 O ATOM 497 CB GLU A 32 -18.112 2.678 3.017 1.00 0.00 C ATOM 498 CG GLU A 32 -19.337 1.749 2.966 1.00 0.00 C ATOM 499 CD GLU A 32 -19.143 0.431 3.719 1.00 0.00 C ATOM 500 OE1 GLU A 32 -19.596 0.322 4.881 1.00 0.00 O ATOM 501 OE2 GLU A 32 -18.543 -0.505 3.156 1.00 0.00 O ATOM 0 H GLU A 32 -18.197 2.741 0.550 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.219 4.487 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.247 2.154 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.883 2.913 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.196 2.273 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.573 1.531 1.924 1.00 0.00 H new ATOM 508 N LYS A 33 -16.067 4.761 1.673 1.00 0.00 N ATOM 509 CA LYS A 33 -14.870 5.625 1.746 1.00 0.00 C ATOM 510 C LYS A 33 -15.237 7.069 1.383 1.00 0.00 C ATOM 511 O LYS A 33 -15.029 7.975 2.176 1.00 0.00 O ATOM 512 CB LYS A 33 -13.709 5.127 0.825 1.00 0.00 C ATOM 513 CG LYS A 33 -13.302 3.645 0.996 1.00 0.00 C ATOM 514 CD LYS A 33 -13.293 3.186 2.470 1.00 0.00 C ATOM 515 CE LYS A 33 -12.823 1.735 2.635 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.916 1.297 4.051 1.00 0.00 N ATOM 0 H LYS A 33 -15.997 4.012 0.984 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.510 5.580 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.000 5.287 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.833 5.748 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.991 3.018 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.310 3.495 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.642 3.842 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.296 3.288 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.429 1.080 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.793 1.642 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.592 0.312 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.318 1.908 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.903 1.364 4.371 1.00 0.00 H new ATOM 530 N LEU A 34 -15.827 7.258 0.188 1.00 0.00 N ATOM 531 CA LEU A 34 -16.211 8.590 -0.310 1.00 0.00 C ATOM 532 C LEU A 34 -17.215 9.269 0.638 1.00 0.00 C ATOM 533 O LEU A 34 -17.137 10.473 0.841 1.00 0.00 O ATOM 534 CB LEU A 34 -16.717 8.509 -1.790 1.00 0.00 C ATOM 535 CG LEU A 34 -17.939 7.564 -2.091 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.310 8.262 -1.894 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.834 6.925 -3.495 1.00 0.00 C ATOM 0 H LEU A 34 -16.049 6.497 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.327 9.227 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.985 9.516 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.882 8.188 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.889 6.765 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.112 7.558 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.401 8.601 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.382 9.118 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.695 6.279 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.813 7.710 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.920 6.335 -3.559 1.00 0.00 H new ATOM 549 N LYS A 35 -18.104 8.470 1.266 1.00 0.00 N ATOM 550 CA LYS A 35 -19.078 8.965 2.262 1.00 0.00 C ATOM 551 C LYS A 35 -18.371 9.668 3.443 1.00 0.00 C ATOM 552 O LYS A 35 -18.715 10.794 3.783 1.00 0.00 O ATOM 553 CB LYS A 35 -19.975 7.797 2.771 1.00 0.00 C ATOM 554 CG LYS A 35 -20.836 8.107 4.026 1.00 0.00 C ATOM 555 CD LYS A 35 -21.796 9.309 3.845 1.00 0.00 C ATOM 556 CE LYS A 35 -22.486 9.712 5.156 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.440 10.835 4.957 1.00 0.00 N ATOM 0 H LYS A 35 -18.167 7.466 1.097 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.712 9.704 1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.640 7.495 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.336 6.943 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.420 7.223 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.174 8.306 4.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.238 10.160 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.553 9.057 3.102 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.017 8.853 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.733 10.001 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.757 11.189 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.970 11.602 4.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.262 10.500 4.414 1.00 0.00 H new ATOM 571 N GLU A 36 -17.382 9.002 4.050 1.00 0.00 N ATOM 572 CA GLU A 36 -16.678 9.544 5.234 1.00 0.00 C ATOM 573 C GLU A 36 -15.679 10.659 4.837 1.00 0.00 C ATOM 574 O GLU A 36 -15.281 11.462 5.680 1.00 0.00 O ATOM 575 CB GLU A 36 -15.982 8.402 6.027 1.00 0.00 C ATOM 576 CG GLU A 36 -14.849 7.683 5.270 1.00 0.00 C ATOM 577 CD GLU A 36 -14.297 6.459 6.014 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.467 6.628 6.933 1.00 0.00 O ATOM 579 OE2 GLU A 36 -14.692 5.317 5.684 1.00 0.00 O ATOM 0 H GLU A 36 -17.046 8.088 3.747 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.419 10.001 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.577 8.816 6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.734 7.666 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.217 7.369 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.037 8.388 5.093 1.00 0.00 H new ATOM 586 N GLN A 37 -15.301 10.706 3.544 1.00 0.00 N ATOM 587 CA GLN A 37 -14.324 11.685 3.013 1.00 0.00 C ATOM 588 C GLN A 37 -14.973 13.055 2.703 1.00 0.00 C ATOM 589 O GLN A 37 -14.441 14.102 3.091 1.00 0.00 O ATOM 590 CB GLN A 37 -13.640 11.114 1.742 1.00 0.00 C ATOM 591 CG GLN A 37 -12.683 9.934 1.987 1.00 0.00 C ATOM 592 CD GLN A 37 -11.409 10.339 2.730 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.343 10.300 3.958 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.393 10.734 1.981 1.00 0.00 N ATOM 0 H GLN A 37 -15.663 10.067 2.836 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.576 11.853 3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.414 10.794 1.045 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.085 11.916 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.202 9.166 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.412 9.489 1.030 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.485 10.753 0.965 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.517 11.020 2.419 1.00 0.00 H new ATOM 603 N THR A 38 -16.120 13.040 2.006 1.00 0.00 N ATOM 604 CA THR A 38 -16.769 14.275 1.495 1.00 0.00 C ATOM 605 C THR A 38 -18.164 14.497 2.131 1.00 0.00 C ATOM 606 O THR A 38 -18.779 15.545 1.920 1.00 0.00 O ATOM 607 CB THR A 38 -16.880 14.231 -0.067 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.321 15.493 -0.601 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.824 13.126 -0.540 1.00 0.00 C ATOM 0 H THR A 38 -16.626 12.184 1.778 1.00 0.00 H new ATOM 0 HA THR A 38 -16.140 15.118 1.781 1.00 0.00 H new ATOM 0 HB THR A 38 -15.878 14.018 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 38 -17.816 15.985 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.872 13.130 -1.629 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.454 12.160 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.820 13.299 -0.132 1.00 0.00 H new ATOM 617 N GLY A 39 -18.676 13.493 2.866 1.00 0.00 N ATOM 618 CA GLY A 39 -19.905 13.649 3.659 1.00 0.00 C ATOM 619 C GLY A 39 -21.191 13.302 2.920 1.00 0.00 C ATOM 620 O GLY A 39 -22.225 13.087 3.565 1.00 0.00 O ATOM 0 H GLY A 39 -18.256 12.565 2.926 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.831 13.019 4.546 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.969 14.681 4.005 1.00 0.00 H new ATOM 624 N VAL A 40 -21.149 13.265 1.575 1.00 0.00 N ATOM 625 CA VAL A 40 -22.345 13.009 0.748 1.00 0.00 C ATOM 626 C VAL A 40 -22.733 11.499 0.826 1.00 0.00 C ATOM 627 O VAL A 40 -21.851 10.637 0.721 1.00 0.00 O ATOM 628 CB VAL A 40 -22.131 13.502 -0.753 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.201 12.577 -1.567 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.476 13.731 -1.481 1.00 0.00 C ATOM 0 H VAL A 40 -20.296 13.410 1.035 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.178 13.589 1.145 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.623 14.464 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -21.096 12.967 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.222 12.535 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.628 11.575 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -23.285 14.066 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -24.040 12.799 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -24.052 14.490 -0.951 1.00 0.00 H new ATOM 640 N PRO A 41 -24.051 11.153 1.097 1.00 0.00 N ATOM 641 CA PRO A 41 -24.516 9.745 1.187 1.00 0.00 C ATOM 642 C PRO A 41 -24.334 8.988 -0.154 1.00 0.00 C ATOM 643 O PRO A 41 -24.763 9.489 -1.197 1.00 0.00 O ATOM 644 CB PRO A 41 -26.016 9.864 1.583 1.00 0.00 C ATOM 645 CG PRO A 41 -26.411 11.257 1.194 1.00 0.00 C ATOM 646 CD PRO A 41 -25.164 12.103 1.365 1.00 0.00 C ATOM 0 HA PRO A 41 -23.941 9.167 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.622 9.122 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.157 9.698 2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.767 11.289 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.222 11.624 1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.151 12.941 0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.099 12.522 2.369 1.00 0.00 H new ATOM 654 N PRO A 42 -23.704 7.769 -0.138 1.00 0.00 N ATOM 655 CA PRO A 42 -23.350 7.031 -1.377 1.00 0.00 C ATOM 656 C PRO A 42 -24.585 6.523 -2.140 1.00 0.00 C ATOM 657 O PRO A 42 -24.545 6.378 -3.360 1.00 0.00 O ATOM 658 CB PRO A 42 -22.501 5.857 -0.854 1.00 0.00 C ATOM 659 CG PRO A 42 -22.953 5.641 0.559 1.00 0.00 C ATOM 660 CD PRO A 42 -23.301 7.012 1.083 1.00 0.00 C ATOM 0 HA PRO A 42 -22.830 7.663 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -22.654 4.962 -1.457 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.437 6.092 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -23.815 4.975 0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.167 5.180 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.111 6.968 1.812 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.450 7.478 1.580 1.00 0.00 H new ATOM 668 N GLU A 43 -25.674 6.278 -1.397 1.00 0.00 N ATOM 669 CA GLU A 43 -26.959 5.795 -1.950 1.00 0.00 C ATOM 670 C GLU A 43 -27.617 6.859 -2.862 1.00 0.00 C ATOM 671 O GLU A 43 -28.512 6.546 -3.655 1.00 0.00 O ATOM 672 CB GLU A 43 -27.909 5.422 -0.785 1.00 0.00 C ATOM 673 CG GLU A 43 -28.253 6.599 0.154 1.00 0.00 C ATOM 674 CD GLU A 43 -29.253 6.229 1.263 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.475 6.185 0.989 1.00 0.00 O ATOM 676 OE2 GLU A 43 -28.825 5.995 2.413 1.00 0.00 O ATOM 0 H GLU A 43 -25.693 6.409 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 43 -26.765 4.914 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -28.834 5.021 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.451 4.626 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.335 6.968 0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.665 7.417 -0.438 1.00 0.00 H new ATOM 683 N GLN A 44 -27.162 8.115 -2.721 1.00 0.00 N ATOM 684 CA GLN A 44 -27.636 9.265 -3.510 1.00 0.00 C ATOM 685 C GLN A 44 -26.800 9.424 -4.812 1.00 0.00 C ATOM 686 O GLN A 44 -27.155 10.212 -5.697 1.00 0.00 O ATOM 687 CB GLN A 44 -27.551 10.538 -2.612 1.00 0.00 C ATOM 688 CG GLN A 44 -28.193 11.819 -3.191 1.00 0.00 C ATOM 689 CD GLN A 44 -28.119 13.032 -2.256 1.00 0.00 C ATOM 690 OE1 GLN A 44 -29.029 13.861 -2.234 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.015 13.183 -1.526 1.00 0.00 N ATOM 0 H GLN A 44 -26.442 8.364 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.669 9.110 -3.820 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.027 10.317 -1.657 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.501 10.743 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.700 12.067 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.238 11.616 -3.424 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.278 12.479 -1.565 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -26.907 14.002 -0.928 1.00 0.00 H new ATOM 700 N LEU A 45 -25.691 8.646 -4.924 1.00 0.00 N ATOM 701 CA LEU A 45 -24.720 8.733 -6.048 1.00 0.00 C ATOM 702 C LEU A 45 -24.492 7.371 -6.729 1.00 0.00 C ATOM 703 O LEU A 45 -24.863 6.309 -6.210 1.00 0.00 O ATOM 704 CB LEU A 45 -23.336 9.292 -5.575 1.00 0.00 C ATOM 705 CG LEU A 45 -23.271 10.803 -5.175 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.927 11.695 -6.247 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.860 11.057 -3.780 1.00 0.00 C ATOM 0 H LEU A 45 -25.444 7.937 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.164 9.419 -6.769 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.009 8.702 -4.719 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.613 9.123 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.217 11.077 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.865 12.739 -5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.407 11.565 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.973 11.413 -6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.793 12.119 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.905 10.747 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.300 10.486 -3.039 1.00 0.00 H new ATOM 719 N ARG A 46 -23.875 7.455 -7.915 1.00 0.00 N ATOM 720 CA ARG A 46 -23.356 6.321 -8.683 1.00 0.00 C ATOM 721 C ARG A 46 -21.837 6.524 -8.794 1.00 0.00 C ATOM 722 O ARG A 46 -21.394 7.610 -9.197 1.00 0.00 O ATOM 723 CB ARG A 46 -23.952 6.269 -10.126 1.00 0.00 C ATOM 724 CG ARG A 46 -25.490 6.335 -10.238 1.00 0.00 C ATOM 725 CD ARG A 46 -25.951 6.277 -11.706 1.00 0.00 C ATOM 726 NE ARG A 46 -27.408 6.448 -11.869 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.065 6.350 -13.048 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.429 6.039 -14.167 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.369 6.544 -13.096 1.00 0.00 N ATOM 0 H ARG A 46 -23.719 8.349 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.625 5.392 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.532 7.096 -10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.614 5.348 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.932 5.507 -9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.850 7.255 -9.778 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.436 7.053 -12.272 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.655 5.320 -12.135 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.958 6.654 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.424 5.868 -14.151 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -27.945 5.971 -15.044 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.883 6.768 -12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -29.863 6.470 -13.985 1.00 0.00 H new ATOM 743 N VAL A 47 -21.055 5.504 -8.429 1.00 0.00 N ATOM 744 CA VAL A 47 -19.593 5.520 -8.608 1.00 0.00 C ATOM 745 C VAL A 47 -19.284 5.250 -10.090 1.00 0.00 C ATOM 746 O VAL A 47 -19.836 4.317 -10.663 1.00 0.00 O ATOM 747 CB VAL A 47 -18.907 4.457 -7.678 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.378 4.468 -7.829 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.308 4.692 -6.207 1.00 0.00 C ATOM 0 H VAL A 47 -21.410 4.648 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.193 6.494 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.258 3.473 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.942 3.718 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.113 4.241 -8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.993 5.453 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.825 3.947 -5.575 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.993 5.689 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.390 4.606 -6.107 1.00 0.00 H new ATOM 759 N ILE A 48 -18.441 6.096 -10.716 1.00 0.00 N ATOM 760 CA ILE A 48 -18.230 6.099 -12.185 1.00 0.00 C ATOM 761 C ILE A 48 -16.720 6.069 -12.531 1.00 0.00 C ATOM 762 O ILE A 48 -16.049 7.100 -12.486 1.00 0.00 O ATOM 763 CB ILE A 48 -18.890 7.377 -12.854 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.395 7.556 -12.442 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.747 7.344 -14.398 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.346 6.481 -12.935 1.00 0.00 C ATOM 0 H ILE A 48 -17.887 6.796 -10.223 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.706 5.202 -12.580 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.344 8.242 -12.476 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.452 7.595 -11.354 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.742 8.520 -12.814 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.210 8.234 -14.825 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.691 7.320 -14.665 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.240 6.455 -14.790 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.357 6.704 -12.593 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.330 6.453 -14.025 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.036 5.513 -12.542 1.00 0.00 H new ATOM 778 N TYR A 49 -16.201 4.890 -12.906 1.00 0.00 N ATOM 779 CA TYR A 49 -14.777 4.711 -13.267 1.00 0.00 C ATOM 780 C TYR A 49 -14.510 5.218 -14.691 1.00 0.00 C ATOM 781 O TYR A 49 -14.810 4.522 -15.668 1.00 0.00 O ATOM 782 CB TYR A 49 -14.385 3.212 -13.137 1.00 0.00 C ATOM 783 CG TYR A 49 -13.056 2.783 -13.792 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.834 3.297 -13.364 1.00 0.00 C ATOM 785 CD2 TYR A 49 -13.031 1.825 -14.819 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.653 2.898 -13.953 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.845 1.433 -15.405 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.661 1.963 -14.960 1.00 0.00 C ATOM 789 OH TYR A 49 -9.474 1.580 -15.550 1.00 0.00 O ATOM 0 H TYR A 49 -16.751 4.033 -12.969 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.165 5.297 -12.581 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.337 2.964 -12.077 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.186 2.612 -13.569 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.811 4.018 -12.560 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.958 1.387 -15.157 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.717 3.322 -13.621 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.849 0.713 -16.210 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.113 0.799 -15.081 1.00 0.00 H new ATOM 799 N ASN A 50 -13.968 6.442 -14.786 1.00 0.00 N ATOM 800 CA ASN A 50 -13.448 7.015 -16.048 1.00 0.00 C ATOM 801 C ASN A 50 -14.552 7.087 -17.157 1.00 0.00 C ATOM 802 O ASN A 50 -14.258 7.109 -18.356 1.00 0.00 O ATOM 803 CB ASN A 50 -12.189 6.196 -16.499 1.00 0.00 C ATOM 804 CG ASN A 50 -11.328 6.874 -17.576 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.280 8.100 -17.680 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.635 6.077 -18.376 1.00 0.00 N ATOM 0 H ASN A 50 -13.875 7.070 -13.987 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.145 8.048 -15.877 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.567 6.003 -15.625 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -12.519 5.228 -16.875 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.041 6.476 -19.103 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.696 5.065 -18.265 1.00 0.00 H new ATOM 813 N GLY A 51 -15.832 7.180 -16.726 1.00 0.00 N ATOM 814 CA GLY A 51 -16.985 7.212 -17.648 1.00 0.00 C ATOM 815 C GLY A 51 -17.804 5.919 -17.666 1.00 0.00 C ATOM 816 O GLY A 51 -18.802 5.827 -18.388 1.00 0.00 O ATOM 0 H GLY A 51 -16.090 7.234 -15.741 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.637 8.039 -17.369 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.625 7.416 -18.656 1.00 0.00 H new ATOM 820 N ARG A 52 -17.389 4.928 -16.864 1.00 0.00 N ATOM 821 CA ARG A 52 -18.070 3.618 -16.744 1.00 0.00 C ATOM 822 C ARG A 52 -18.833 3.555 -15.419 1.00 0.00 C ATOM 823 O ARG A 52 -18.239 3.767 -14.365 1.00 0.00 O ATOM 824 CB ARG A 52 -17.034 2.455 -16.821 1.00 0.00 C ATOM 825 CG ARG A 52 -17.607 1.039 -16.542 1.00 0.00 C ATOM 826 CD ARG A 52 -16.587 -0.075 -16.849 1.00 0.00 C ATOM 827 NE ARG A 52 -17.158 -1.429 -16.707 1.00 0.00 N ATOM 828 CZ ARG A 52 -16.525 -2.578 -17.043 1.00 0.00 C ATOM 829 NH1 ARG A 52 -15.309 -2.563 -17.571 1.00 0.00 N ATOM 830 NH2 ARG A 52 -17.121 -3.745 -16.848 1.00 0.00 N ATOM 0 H ARG A 52 -16.563 5.008 -16.271 1.00 0.00 H new ATOM 0 HA ARG A 52 -18.773 3.509 -17.570 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.582 2.458 -17.813 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.235 2.653 -16.106 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -17.912 0.972 -15.498 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -18.502 0.886 -17.146 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -16.212 0.052 -17.865 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.733 0.026 -16.179 1.00 0.00 H new ATOM 0 HE ARG A 52 -18.101 -1.505 -16.327 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.833 -1.675 -17.731 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.849 -3.439 -17.817 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.057 -3.778 -16.445 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.644 -4.610 -17.101 1.00 0.00 H new ATOM 844 N GLU A 53 -20.139 3.251 -15.483 1.00 0.00 N ATOM 845 CA GLU A 53 -20.984 3.119 -14.293 1.00 0.00 C ATOM 846 C GLU A 53 -20.606 1.854 -13.507 1.00 0.00 C ATOM 847 O GLU A 53 -20.422 0.782 -14.099 1.00 0.00 O ATOM 848 CB GLU A 53 -22.479 3.084 -14.678 1.00 0.00 C ATOM 849 CG GLU A 53 -23.449 3.205 -13.481 1.00 0.00 C ATOM 850 CD GLU A 53 -24.906 2.983 -13.891 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.372 1.827 -13.863 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.583 3.951 -14.282 1.00 0.00 O ATOM 0 H GLU A 53 -20.635 3.091 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.816 3.990 -13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.681 3.896 -15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -22.685 2.152 -15.204 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.174 2.477 -12.718 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.347 4.193 -13.031 1.00 0.00 H new ATOM 859 N LEU A 54 -20.456 1.999 -12.183 1.00 0.00 N ATOM 860 CA LEU A 54 -20.056 0.903 -11.286 1.00 0.00 C ATOM 861 C LEU A 54 -21.218 0.556 -10.351 1.00 0.00 C ATOM 862 O LEU A 54 -21.842 1.450 -9.755 1.00 0.00 O ATOM 863 CB LEU A 54 -18.793 1.276 -10.450 1.00 0.00 C ATOM 864 CG LEU A 54 -17.580 1.897 -11.227 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.334 2.007 -10.324 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.279 1.124 -12.526 1.00 0.00 C ATOM 0 H LEU A 54 -20.609 2.884 -11.700 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.804 0.038 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.096 1.981 -9.676 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.445 0.376 -9.943 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.861 2.909 -11.518 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.511 2.441 -10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.560 2.643 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.050 1.015 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.433 1.585 -13.036 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.038 0.088 -12.286 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.153 1.152 -13.177 1.00 0.00 H new ATOM 878 N GLU A 55 -21.489 -0.747 -10.231 1.00 0.00 N ATOM 879 CA GLU A 55 -22.575 -1.281 -9.405 1.00 0.00 C ATOM 880 C GLU A 55 -21.995 -1.662 -8.033 1.00 0.00 C ATOM 881 O GLU A 55 -20.935 -2.294 -7.998 1.00 0.00 O ATOM 882 CB GLU A 55 -23.204 -2.517 -10.098 1.00 0.00 C ATOM 883 CG GLU A 55 -23.493 -2.291 -11.597 1.00 0.00 C ATOM 884 CD GLU A 55 -24.046 -3.534 -12.298 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.260 -3.582 -12.593 1.00 0.00 O ATOM 886 OE2 GLU A 55 -23.262 -4.478 -12.546 1.00 0.00 O ATOM 0 H GLU A 55 -20.953 -1.470 -10.711 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.358 -0.534 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.532 -3.368 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.133 -2.777 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -24.206 -1.474 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.575 -1.979 -12.095 1.00 0.00 H new ATOM 893 N PRO A 56 -22.672 -1.295 -6.892 1.00 0.00 N ATOM 894 CA PRO A 56 -22.127 -1.486 -5.519 1.00 0.00 C ATOM 895 C PRO A 56 -21.693 -2.946 -5.243 1.00 0.00 C ATOM 896 O PRO A 56 -20.570 -3.185 -4.771 1.00 0.00 O ATOM 897 CB PRO A 56 -23.292 -1.020 -4.587 1.00 0.00 C ATOM 898 CG PRO A 56 -24.517 -1.018 -5.461 1.00 0.00 C ATOM 899 CD PRO A 56 -24.017 -0.666 -6.847 1.00 0.00 C ATOM 0 HA PRO A 56 -21.212 -0.917 -5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.413 -1.695 -3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.097 -0.028 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.006 -1.992 -5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.249 -0.291 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.672 -1.060 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -23.962 0.413 -6.994 1.00 0.00 H new ATOM 907 N ARG A 57 -22.571 -3.903 -5.603 1.00 0.00 N ATOM 908 CA ARG A 57 -22.346 -5.350 -5.382 1.00 0.00 C ATOM 909 C ARG A 57 -21.069 -5.866 -6.078 1.00 0.00 C ATOM 910 O ARG A 57 -20.396 -6.762 -5.562 1.00 0.00 O ATOM 911 CB ARG A 57 -23.563 -6.182 -5.880 1.00 0.00 C ATOM 912 CG ARG A 57 -23.963 -5.952 -7.363 1.00 0.00 C ATOM 913 CD ARG A 57 -24.846 -7.090 -7.926 1.00 0.00 C ATOM 914 NE ARG A 57 -25.477 -6.752 -9.215 1.00 0.00 N ATOM 915 CZ ARG A 57 -24.846 -6.569 -10.386 1.00 0.00 C ATOM 916 NH1 ARG A 57 -23.530 -6.687 -10.507 1.00 0.00 N ATOM 917 NH2 ARG A 57 -25.557 -6.261 -11.453 1.00 0.00 N ATOM 0 H ARG A 57 -23.460 -3.696 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.222 -5.476 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.340 -7.240 -5.741 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.422 -5.952 -5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.498 -5.006 -7.448 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.061 -5.864 -7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.237 -7.986 -8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.623 -7.331 -7.201 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.492 -6.647 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -22.962 -6.924 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -23.086 -6.540 -11.414 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -26.570 -6.165 -11.381 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.094 -6.118 -12.351 1.00 0.00 H new ATOM 931 N THR A 58 -20.762 -5.290 -7.251 1.00 0.00 N ATOM 932 CA THR A 58 -19.675 -5.759 -8.120 1.00 0.00 C ATOM 933 C THR A 58 -18.290 -5.407 -7.524 1.00 0.00 C ATOM 934 O THR A 58 -18.145 -4.400 -6.829 1.00 0.00 O ATOM 935 CB THR A 58 -19.836 -5.136 -9.540 1.00 0.00 C ATOM 936 OG1 THR A 58 -21.190 -5.317 -9.995 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.877 -5.764 -10.562 1.00 0.00 C ATOM 0 H THR A 58 -21.263 -4.483 -7.623 1.00 0.00 H new ATOM 0 HA THR A 58 -19.734 -6.845 -8.196 1.00 0.00 H new ATOM 0 HB THR A 58 -19.595 -4.076 -9.460 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.253 -5.070 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.027 -5.298 -11.536 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.848 -5.608 -10.239 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.075 -6.833 -10.638 1.00 0.00 H new ATOM 945 N THR A 59 -17.289 -6.258 -7.791 1.00 0.00 N ATOM 946 CA THR A 59 -15.927 -6.107 -7.250 1.00 0.00 C ATOM 947 C THR A 59 -15.101 -5.086 -8.093 1.00 0.00 C ATOM 948 O THR A 59 -15.475 -4.750 -9.227 1.00 0.00 O ATOM 949 CB THR A 59 -15.219 -7.513 -7.225 1.00 0.00 C ATOM 950 OG1 THR A 59 -16.186 -8.538 -6.924 1.00 0.00 O ATOM 951 CG2 THR A 59 -14.091 -7.595 -6.193 1.00 0.00 C ATOM 0 H THR A 59 -17.400 -7.075 -8.391 1.00 0.00 H new ATOM 0 HA THR A 59 -15.989 -5.718 -6.234 1.00 0.00 H new ATOM 0 HB THR A 59 -14.782 -7.659 -8.213 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.743 -9.412 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.642 -8.588 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.333 -6.846 -6.422 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.494 -7.410 -5.198 1.00 0.00 H new ATOM 959 N LEU A 60 -13.978 -4.611 -7.522 1.00 0.00 N ATOM 960 CA LEU A 60 -13.057 -3.637 -8.162 1.00 0.00 C ATOM 961 C LEU A 60 -12.326 -4.265 -9.357 1.00 0.00 C ATOM 962 O LEU A 60 -12.227 -3.662 -10.434 1.00 0.00 O ATOM 963 CB LEU A 60 -12.021 -3.114 -7.112 1.00 0.00 C ATOM 964 CG LEU A 60 -12.418 -1.828 -6.320 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.783 -1.967 -5.648 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.330 -1.454 -5.295 1.00 0.00 C ATOM 0 H LEU A 60 -13.676 -4.894 -6.590 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.650 -2.801 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.831 -3.912 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.081 -2.920 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.499 -1.016 -7.043 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.018 -1.049 -5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.545 -2.148 -6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.761 -2.803 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.631 -0.555 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.199 -2.273 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.390 -1.269 -5.814 1.00 0.00 H new ATOM 978 N GLU A 61 -11.812 -5.480 -9.126 1.00 0.00 N ATOM 979 CA GLU A 61 -11.078 -6.283 -10.128 1.00 0.00 C ATOM 980 C GLU A 61 -11.912 -6.555 -11.405 1.00 0.00 C ATOM 981 O GLU A 61 -11.355 -6.762 -12.487 1.00 0.00 O ATOM 982 CB GLU A 61 -10.638 -7.615 -9.477 1.00 0.00 C ATOM 983 CG GLU A 61 -11.804 -8.449 -8.912 1.00 0.00 C ATOM 984 CD GLU A 61 -11.359 -9.735 -8.200 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.156 -10.764 -8.879 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.181 -9.714 -6.961 1.00 0.00 O ATOM 0 H GLU A 61 -11.893 -5.946 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.207 -5.710 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.103 -8.211 -10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.935 -7.400 -8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.372 -7.835 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.479 -8.711 -9.727 1.00 0.00 H new ATOM 993 N GLU A 62 -13.246 -6.544 -11.256 1.00 0.00 N ATOM 994 CA GLU A 62 -14.195 -6.736 -12.369 1.00 0.00 C ATOM 995 C GLU A 62 -14.150 -5.533 -13.333 1.00 0.00 C ATOM 996 O GLU A 62 -14.304 -5.689 -14.547 1.00 0.00 O ATOM 997 CB GLU A 62 -15.630 -6.912 -11.811 1.00 0.00 C ATOM 998 CG GLU A 62 -15.797 -8.054 -10.786 1.00 0.00 C ATOM 999 CD GLU A 62 -15.617 -9.460 -11.385 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -14.495 -10.014 -11.330 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -16.607 -10.011 -11.922 1.00 0.00 O ATOM 0 H GLU A 62 -13.702 -6.401 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.910 -7.632 -12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.939 -5.977 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.308 -7.091 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.073 -7.917 -9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.788 -7.985 -10.338 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.940 -4.337 -12.761 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.874 -3.068 -13.517 1.00 0.00 C ATOM 1010 C TYR A 63 -12.419 -2.662 -13.823 1.00 0.00 C ATOM 1011 O TYR A 63 -12.197 -1.742 -14.623 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.574 -1.945 -12.715 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.074 -2.180 -12.504 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.643 -2.228 -11.238 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.918 -2.322 -13.599 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -17.996 -2.417 -11.078 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.268 -2.514 -13.448 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.805 -2.553 -12.185 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.158 -2.744 -12.015 1.00 0.00 O ATOM 0 H TYR A 63 -13.810 -4.218 -11.756 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.385 -3.218 -14.468 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.090 -1.849 -11.743 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.434 -0.998 -13.235 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.014 -2.115 -10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.500 -2.280 -14.594 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.423 -2.459 -10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.902 -2.633 -14.314 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.590 -2.821 -12.891 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.453 -3.360 -13.183 1.00 0.00 N ATOM 1030 CA ASN A 64 -10.014 -3.048 -13.269 1.00 0.00 C ATOM 1031 C ASN A 64 -9.739 -1.656 -12.663 1.00 0.00 C ATOM 1032 O ASN A 64 -9.318 -0.717 -13.351 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.472 -3.183 -14.727 1.00 0.00 C ATOM 1034 CG ASN A 64 -9.581 -4.619 -15.267 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -10.599 -5.007 -15.846 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -8.534 -5.409 -15.091 1.00 0.00 N ATOM 0 H ASN A 64 -11.656 -4.163 -12.587 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.466 -3.784 -12.681 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.026 -2.510 -15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.429 -2.867 -14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.555 -6.368 -15.438 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.706 -5.059 -14.608 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.041 -1.536 -11.361 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.833 -0.298 -10.586 1.00 0.00 C ATOM 1045 C ILE A 65 -8.383 -0.290 -10.058 1.00 0.00 C ATOM 1046 O ILE A 65 -8.094 -0.864 -9.009 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.871 -0.204 -9.396 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.347 -0.306 -9.916 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.678 1.079 -8.554 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.798 0.837 -10.796 1.00 0.00 C ATOM 0 H ILE A 65 -10.439 -2.298 -10.811 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.993 0.571 -11.224 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.677 -1.056 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.456 -1.237 -10.472 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.015 -0.368 -9.057 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.413 1.100 -7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.674 1.088 -8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.811 1.955 -9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.831 0.674 -11.104 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.728 1.773 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.161 0.890 -11.679 1.00 0.00 H new ATOM 1062 N THR A 66 -7.474 0.301 -10.843 1.00 0.00 N ATOM 1063 CA THR A 66 -6.018 0.307 -10.569 1.00 0.00 C ATOM 1064 C THR A 66 -5.570 1.647 -9.911 1.00 0.00 C ATOM 1065 O THR A 66 -6.365 2.582 -9.865 1.00 0.00 O ATOM 1066 CB THR A 66 -5.256 0.022 -11.916 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.814 0.813 -12.987 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.311 -1.471 -12.285 1.00 0.00 C ATOM 0 H THR A 66 -7.724 0.797 -11.699 1.00 0.00 H new ATOM 0 HA THR A 66 -5.773 -0.476 -9.851 1.00 0.00 H new ATOM 0 HB THR A 66 -4.212 0.300 -11.771 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.329 0.627 -13.818 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.776 -1.635 -13.220 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.846 -2.059 -11.493 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.350 -1.779 -12.403 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.296 1.778 -9.371 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.867 3.012 -8.671 1.00 0.00 C ATOM 1078 C PRO A 67 -3.790 4.225 -9.632 1.00 0.00 C ATOM 1079 O PRO A 67 -3.297 4.104 -10.760 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.465 2.677 -8.078 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.209 1.222 -8.372 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.189 0.789 -9.441 1.00 0.00 C ATOM 0 HA PRO A 67 -4.582 3.299 -7.900 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.695 3.304 -8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.444 2.865 -7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.184 1.075 -8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.336 0.622 -7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.723 0.787 -10.426 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.551 -0.223 -9.258 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.301 5.378 -9.176 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.208 6.624 -9.926 1.00 0.00 C ATOM 1092 C GLY A 68 -5.407 6.899 -10.815 1.00 0.00 C ATOM 1093 O GLY A 68 -5.472 7.967 -11.428 1.00 0.00 O ATOM 0 H GLY A 68 -4.786 5.466 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.091 7.450 -9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.309 6.599 -10.542 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.360 5.950 -10.898 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.562 6.119 -11.731 1.00 0.00 C ATOM 1099 C VAL A 69 -8.564 7.072 -11.054 1.00 0.00 C ATOM 1100 O VAL A 69 -8.637 7.148 -9.813 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.248 4.752 -12.077 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.249 3.796 -12.771 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.905 4.093 -10.839 1.00 0.00 C ATOM 0 H VAL A 69 -6.319 5.061 -10.399 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.236 6.560 -12.673 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.056 4.963 -12.778 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.747 2.854 -13.002 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.890 4.252 -13.694 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.405 3.607 -12.107 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.366 3.149 -11.131 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.145 3.906 -10.080 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.667 4.759 -10.434 1.00 0.00 H new ATOM 1113 N THR A 70 -9.316 7.809 -11.883 1.00 0.00 N ATOM 1114 CA THR A 70 -10.286 8.796 -11.419 1.00 0.00 C ATOM 1115 C THR A 70 -11.714 8.253 -11.606 1.00 0.00 C ATOM 1116 O THR A 70 -12.213 8.114 -12.732 1.00 0.00 O ATOM 1117 CB THR A 70 -10.125 10.153 -12.178 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.748 10.560 -12.151 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.994 11.263 -11.556 1.00 0.00 C ATOM 0 H THR A 70 -9.264 7.733 -12.899 1.00 0.00 H new ATOM 0 HA THR A 70 -10.103 8.980 -10.360 1.00 0.00 H new ATOM 0 HB THR A 70 -10.455 9.999 -13.205 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.649 11.410 -12.629 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.853 12.190 -12.112 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.043 10.970 -11.598 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.701 11.415 -10.517 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.314 7.875 -10.482 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.756 7.630 -10.363 1.00 0.00 C ATOM 1129 C LEU A 71 -14.479 8.986 -10.282 1.00 0.00 C ATOM 1130 O LEU A 71 -13.847 10.025 -10.065 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.063 6.768 -9.097 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.793 5.219 -9.182 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.436 4.863 -9.825 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.900 4.588 -7.779 1.00 0.00 C ATOM 0 H LEU A 71 -11.807 7.726 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.108 7.077 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.475 7.166 -8.270 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.112 6.912 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.559 4.806 -9.839 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.318 3.780 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.401 5.256 -10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.629 5.302 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.712 3.516 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.164 5.045 -7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.900 4.756 -7.380 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.797 8.963 -10.472 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.660 10.145 -10.365 1.00 0.00 C ATOM 1148 C GLU A 72 -17.943 9.762 -9.624 1.00 0.00 C ATOM 1149 O GLU A 72 -18.193 8.578 -9.365 1.00 0.00 O ATOM 1150 CB GLU A 72 -17.004 10.740 -11.764 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.801 11.301 -12.559 1.00 0.00 C ATOM 1152 CD GLU A 72 -16.219 12.020 -13.855 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.396 13.261 -13.835 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.392 11.347 -14.894 1.00 0.00 O ATOM 0 H GLU A 72 -16.306 8.111 -10.708 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.123 10.914 -9.810 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.484 9.965 -12.362 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.734 11.538 -11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.247 11.995 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.123 10.484 -12.806 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.738 10.775 -9.268 1.00 0.00 N ATOM 1162 CA LEU A 73 -20.059 10.595 -8.656 1.00 0.00 C ATOM 1163 C LEU A 73 -21.105 11.347 -9.481 1.00 0.00 C ATOM 1164 O LEU A 73 -21.101 12.579 -9.533 1.00 0.00 O ATOM 1165 CB LEU A 73 -20.069 11.067 -7.173 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.235 10.199 -6.175 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.331 10.743 -4.729 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.653 8.705 -6.246 1.00 0.00 C ATOM 0 H LEU A 73 -18.481 11.753 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.303 9.533 -8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.695 12.090 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -21.102 11.092 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.190 10.266 -6.477 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.739 10.114 -4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.950 11.764 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.372 10.734 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.056 8.126 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.709 8.610 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.488 8.329 -7.256 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.946 10.579 -10.186 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.125 11.094 -10.907 1.00 0.00 C ATOM 1182 C LYS A 74 -24.366 10.779 -10.062 1.00 0.00 C ATOM 1183 O LYS A 74 -24.459 9.689 -9.498 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.230 10.447 -12.327 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.356 11.102 -13.441 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.844 11.157 -13.109 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.979 11.627 -14.290 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.243 13.037 -14.667 1.00 0.00 N ATOM 0 H LYS A 74 -21.828 9.570 -10.275 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.040 12.171 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.954 9.396 -12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.272 10.480 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.493 10.547 -14.369 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.715 12.116 -13.620 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.689 11.828 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.512 10.167 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.926 11.515 -14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.165 10.984 -15.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.634 13.302 -15.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.241 13.142 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.040 13.657 -13.857 1.00 0.00 H new ATOM 1202 N THR A 75 -25.306 11.728 -9.986 1.00 0.00 N ATOM 1203 CA THR A 75 -26.475 11.636 -9.095 1.00 0.00 C ATOM 1204 C THR A 75 -27.386 10.433 -9.436 1.00 0.00 C ATOM 1205 O THR A 75 -27.897 10.317 -10.552 1.00 0.00 O ATOM 1206 CB THR A 75 -27.295 12.965 -9.121 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.608 13.324 -10.482 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.531 14.118 -8.443 1.00 0.00 C ATOM 0 H THR A 75 -25.280 12.584 -10.540 1.00 0.00 H new ATOM 0 HA THR A 75 -26.092 11.474 -8.088 1.00 0.00 H new ATOM 0 HB THR A 75 -28.216 12.797 -8.563 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.668 12.513 -11.029 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.133 15.026 -8.481 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.330 13.859 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.589 14.286 -8.964 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.518 9.528 -8.461 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.424 8.373 -8.506 1.00 0.00 C ATOM 1218 C ARG A 76 -29.827 8.812 -8.068 1.00 0.00 C ATOM 1219 O ARG A 76 -30.015 9.248 -6.924 1.00 0.00 O ATOM 1220 CB ARG A 76 -27.874 7.269 -7.567 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.731 6.001 -7.393 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.038 4.986 -6.460 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.866 3.799 -6.183 1.00 0.00 N ATOM 1224 CZ ARG A 76 -28.613 2.885 -5.228 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -27.592 3.038 -4.389 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -29.396 1.826 -5.108 1.00 0.00 N ATOM 0 H ARG A 76 -26.983 9.579 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.487 7.977 -9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.895 6.967 -7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -27.719 7.710 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.705 6.270 -6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.909 5.543 -8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -27.098 4.669 -6.912 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -27.790 5.477 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.695 3.659 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -26.988 3.857 -4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -27.413 2.337 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -30.189 1.704 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -29.207 1.131 -4.385 1.00 0.00 H new