USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 687 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 18 CYS SG : rot 157:sc= -8.66! USER MOD Set 1.2: A 77 TYR OH : rot -140:sc= -6.57! USER MOD Single : A 1 ALA N :NH3+ -134:sc= 0.0379 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 94:sc= -3.85! USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0246 K(o=-0.025,f=-1.6!) USER MOD Single : A 22 SER OG : rot -166:sc= -0.4! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-8.5!) USER MOD Single : A 35 HIS : no HD1:sc= -9.16! C(o=-9.2!,f=-9.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.059 X(o=0.059,f=0) USER MOD Single : A 64 THR OG1 : rot 35:sc= -0.146 USER MOD Single : A 65 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.61! C(o=-3.6!,f=-3.5!) USER MOD Single : A 82 THR OG1 : rot -160:sc= -7.18! USER MOD Single : A 87 ASN : amide:sc= -4.08! C(o=-4.1!,f=-6.8!) USER MOD Single : A 89 ASN : amide:sc= -1.35! C(o=-1.3!,f=-6.3!) USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= -0.0247 (180deg=-0.764) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.816 -11.190 -0.354 1.00 0.00 N ATOM 2 CA ALA A 1 -17.767 -10.576 -1.216 1.00 0.00 C ATOM 3 C ALA A 1 -16.404 -10.709 -0.544 1.00 0.00 C ATOM 4 O ALA A 1 -16.130 -11.661 0.159 1.00 0.00 O ATOM 5 CB ALA A 1 -18.093 -9.097 -1.451 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.436 -11.789 -0.935 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.365 -11.770 0.382 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.380 -10.440 0.094 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.741 -11.092 -2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.324 -8.651 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.061 -9.012 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.126 -8.575 -0.495 1.00 0.00 H new ATOM 13 N ASP A 2 -15.538 -9.766 -0.782 1.00 0.00 N ATOM 14 CA ASP A 2 -14.177 -9.833 -0.190 1.00 0.00 C ATOM 15 C ASP A 2 -13.932 -8.703 0.831 1.00 0.00 C ATOM 16 O ASP A 2 -12.879 -8.100 0.830 1.00 0.00 O ATOM 17 CB ASP A 2 -13.150 -9.732 -1.316 1.00 0.00 C ATOM 18 CG ASP A 2 -11.770 -9.757 -0.689 1.00 0.00 C ATOM 19 OD1 ASP A 2 -11.680 -10.196 0.442 1.00 0.00 O ATOM 20 OD2 ASP A 2 -10.829 -9.336 -1.341 1.00 0.00 O ATOM 0 H ASP A 2 -15.716 -8.948 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.082 -10.780 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.267 -10.560 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.295 -8.813 -1.884 1.00 0.00 H new ATOM 25 N PRO A 3 -14.871 -8.468 1.713 1.00 0.00 N ATOM 26 CA PRO A 3 -14.698 -7.457 2.766 1.00 0.00 C ATOM 27 C PRO A 3 -13.802 -8.040 3.865 1.00 0.00 C ATOM 28 O PRO A 3 -13.571 -7.428 4.889 1.00 0.00 O ATOM 29 CB PRO A 3 -16.115 -7.235 3.297 1.00 0.00 C ATOM 30 CG PRO A 3 -16.910 -8.511 2.938 1.00 0.00 C ATOM 31 CD PRO A 3 -16.176 -9.159 1.750 1.00 0.00 C ATOM 0 HA PRO A 3 -14.237 -6.533 2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.106 -7.071 4.375 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.568 -6.353 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.954 -9.193 3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -17.938 -8.266 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.055 -10.233 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.726 -9.022 0.819 1.00 0.00 H new ATOM 39 N GLU A 4 -13.329 -9.246 3.667 1.00 0.00 N ATOM 40 CA GLU A 4 -12.485 -9.904 4.699 1.00 0.00 C ATOM 41 C GLU A 4 -11.307 -10.644 4.059 1.00 0.00 C ATOM 42 O GLU A 4 -10.632 -11.418 4.708 1.00 0.00 O ATOM 43 CB GLU A 4 -13.348 -10.928 5.410 1.00 0.00 C ATOM 44 CG GLU A 4 -13.409 -10.606 6.904 1.00 0.00 C ATOM 45 CD GLU A 4 -14.510 -11.439 7.560 1.00 0.00 C ATOM 46 OE1 GLU A 4 -14.947 -12.398 6.944 1.00 0.00 O ATOM 47 OE2 GLU A 4 -14.900 -11.104 8.667 1.00 0.00 O ATOM 0 H GLU A 4 -13.495 -9.802 2.828 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.096 -9.146 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.353 -10.927 4.987 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.940 -11.928 5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -12.448 -10.820 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.606 -9.544 7.050 1.00 0.00 H new ATOM 54 N LYS A 5 -11.047 -10.430 2.802 1.00 0.00 N ATOM 55 CA LYS A 5 -9.913 -11.140 2.157 1.00 0.00 C ATOM 56 C LYS A 5 -9.292 -10.203 1.134 1.00 0.00 C ATOM 57 O LYS A 5 -8.895 -10.599 0.054 1.00 0.00 O ATOM 58 CB LYS A 5 -10.420 -12.410 1.473 1.00 0.00 C ATOM 59 CG LYS A 5 -10.319 -13.585 2.448 1.00 0.00 C ATOM 60 CD LYS A 5 -9.124 -14.464 2.068 1.00 0.00 C ATOM 61 CE LYS A 5 -8.705 -15.309 3.274 1.00 0.00 C ATOM 62 NZ LYS A 5 -9.421 -16.616 3.240 1.00 0.00 N ATOM 0 H LYS A 5 -11.569 -9.797 2.196 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.169 -11.426 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.453 -12.276 1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.832 -12.614 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.203 -13.216 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.237 -14.171 2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.387 -15.111 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.291 -13.842 1.740 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.627 -15.472 3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.935 -14.780 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.136 -17.189 4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.447 -16.451 3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.180 -17.121 2.363 1.00 0.00 H new ATOM 76 N SER A 6 -9.228 -8.954 1.475 1.00 0.00 N ATOM 77 CA SER A 6 -8.648 -7.957 0.542 1.00 0.00 C ATOM 78 C SER A 6 -7.396 -7.371 1.179 1.00 0.00 C ATOM 79 O SER A 6 -7.455 -6.717 2.200 1.00 0.00 O ATOM 80 CB SER A 6 -9.647 -6.833 0.301 1.00 0.00 C ATOM 81 OG SER A 6 -10.895 -7.382 -0.093 1.00 0.00 O ATOM 0 H SER A 6 -9.554 -8.577 2.365 1.00 0.00 H new ATOM 0 HA SER A 6 -8.409 -8.438 -0.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.769 -6.240 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.274 -6.161 -0.471 1.00 0.00 H new ATOM 0 HG SER A 6 -11.469 -7.487 0.694 1.00 0.00 H new ATOM 87 N TYR A 7 -6.258 -7.616 0.601 1.00 0.00 N ATOM 88 CA TYR A 7 -5.001 -7.080 1.207 1.00 0.00 C ATOM 89 C TYR A 7 -4.150 -6.342 0.166 1.00 0.00 C ATOM 90 O TYR A 7 -4.079 -6.724 -0.986 1.00 0.00 O ATOM 91 CB TYR A 7 -4.189 -8.240 1.791 1.00 0.00 C ATOM 92 CG TYR A 7 -4.000 -9.308 0.739 1.00 0.00 C ATOM 93 CD1 TYR A 7 -5.022 -10.230 0.481 1.00 0.00 C ATOM 94 CD2 TYR A 7 -2.797 -9.379 0.023 1.00 0.00 C ATOM 95 CE1 TYR A 7 -4.843 -11.219 -0.493 1.00 0.00 C ATOM 96 CE2 TYR A 7 -2.619 -10.369 -0.950 1.00 0.00 C ATOM 97 CZ TYR A 7 -3.642 -11.289 -1.209 1.00 0.00 C ATOM 98 OH TYR A 7 -3.464 -12.264 -2.170 1.00 0.00 O ATOM 0 H TYR A 7 -6.138 -8.157 -0.255 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.273 -6.373 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.220 -7.881 2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.702 -8.656 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.948 -10.178 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.007 -8.670 0.222 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.632 -11.929 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.692 -10.423 -1.501 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.575 -12.169 -2.572 1.00 0.00 H new ATOM 108 N ALA A 8 -3.482 -5.294 0.584 1.00 0.00 N ATOM 109 CA ALA A 8 -2.603 -4.523 -0.346 1.00 0.00 C ATOM 110 C ALA A 8 -1.178 -4.532 0.208 1.00 0.00 C ATOM 111 O ALA A 8 -0.950 -4.170 1.346 1.00 0.00 O ATOM 112 CB ALA A 8 -3.084 -3.073 -0.450 1.00 0.00 C ATOM 0 H ALA A 8 -3.510 -4.938 1.539 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.635 -4.981 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.435 -2.522 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.106 -3.055 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.054 -2.608 0.535 1.00 0.00 H new ATOM 118 N GLU A 9 -0.212 -4.948 -0.567 1.00 0.00 N ATOM 119 CA GLU A 9 1.182 -4.973 -0.038 1.00 0.00 C ATOM 120 C GLU A 9 2.172 -4.590 -1.136 1.00 0.00 C ATOM 121 O GLU A 9 2.032 -4.975 -2.285 1.00 0.00 O ATOM 122 CB GLU A 9 1.506 -6.380 0.467 1.00 0.00 C ATOM 123 CG GLU A 9 1.357 -7.378 -0.682 1.00 0.00 C ATOM 124 CD GLU A 9 2.092 -8.673 -0.334 1.00 0.00 C ATOM 125 OE1 GLU A 9 3.301 -8.621 -0.177 1.00 0.00 O ATOM 126 OE2 GLU A 9 1.435 -9.695 -0.232 1.00 0.00 O ATOM 0 H GLU A 9 -0.325 -5.267 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 9 1.264 -4.256 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.521 -6.412 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.837 -6.648 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.302 -7.584 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.762 -6.954 -1.601 1.00 0.00 H new ATOM 133 N GLY A 10 3.174 -3.829 -0.791 1.00 0.00 N ATOM 134 CA GLY A 10 4.180 -3.425 -1.806 1.00 0.00 C ATOM 135 C GLY A 10 5.448 -2.916 -1.121 1.00 0.00 C ATOM 136 O GLY A 10 5.481 -2.750 0.082 1.00 0.00 O ATOM 0 H GLY A 10 3.337 -3.471 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.420 -4.273 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.767 -2.646 -2.448 1.00 0.00 H new ATOM 140 N PRO A 11 6.443 -2.629 -1.927 1.00 0.00 N ATOM 141 CA PRO A 11 7.718 -2.069 -1.450 1.00 0.00 C ATOM 142 C PRO A 11 7.540 -0.561 -1.213 1.00 0.00 C ATOM 143 O PRO A 11 8.486 0.163 -0.979 1.00 0.00 O ATOM 144 CB PRO A 11 8.683 -2.331 -2.608 1.00 0.00 C ATOM 145 CG PRO A 11 7.809 -2.496 -3.875 1.00 0.00 C ATOM 146 CD PRO A 11 6.389 -2.847 -3.387 1.00 0.00 C ATOM 0 HA PRO A 11 8.072 -2.502 -0.515 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.384 -1.504 -2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.275 -3.228 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.801 -1.578 -4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.203 -3.283 -4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 11 5.638 -2.212 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 11 6.129 -3.878 -3.626 1.00 0.00 H new ATOM 154 N GLY A 12 6.317 -0.094 -1.277 1.00 0.00 N ATOM 155 CA GLY A 12 6.029 1.346 -1.066 1.00 0.00 C ATOM 156 C GLY A 12 5.148 1.477 0.170 1.00 0.00 C ATOM 157 O GLY A 12 4.487 0.545 0.531 1.00 0.00 O ATOM 0 H GLY A 12 5.495 -0.667 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.956 1.904 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.526 1.765 -1.938 1.00 0.00 H new ATOM 161 N LEU A 13 5.137 2.618 0.813 1.00 0.00 N ATOM 162 CA LEU A 13 4.279 2.811 2.032 1.00 0.00 C ATOM 163 C LEU A 13 5.045 2.433 3.290 1.00 0.00 C ATOM 164 O LEU A 13 4.589 2.644 4.395 1.00 0.00 O ATOM 165 CB LEU A 13 2.977 2.001 1.897 1.00 0.00 C ATOM 166 CG LEU A 13 2.966 0.679 2.717 1.00 0.00 C ATOM 167 CD1 LEU A 13 1.818 0.718 3.718 1.00 0.00 C ATOM 168 CD2 LEU A 13 2.744 -0.518 1.786 1.00 0.00 C ATOM 0 H LEU A 13 5.689 3.433 0.546 1.00 0.00 H new ATOM 0 HA LEU A 13 4.012 3.865 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.140 2.622 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.815 1.765 0.845 1.00 0.00 H new ATOM 0 HG LEU A 13 3.923 0.578 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.807 -0.207 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.951 1.564 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.873 0.824 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.738 -1.438 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.788 -0.408 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.547 -0.561 1.051 1.00 0.00 H new ATOM 180 N ASP A 14 6.212 1.905 3.132 1.00 0.00 N ATOM 181 CA ASP A 14 7.017 1.544 4.327 1.00 0.00 C ATOM 182 C ASP A 14 7.427 2.830 5.025 1.00 0.00 C ATOM 183 O ASP A 14 7.790 2.844 6.185 1.00 0.00 O ATOM 184 CB ASP A 14 8.279 0.827 3.897 1.00 0.00 C ATOM 185 CG ASP A 14 7.970 -0.128 2.743 1.00 0.00 C ATOM 186 OD1 ASP A 14 7.320 -1.131 2.987 1.00 0.00 O ATOM 187 OD2 ASP A 14 8.392 0.158 1.635 1.00 0.00 O ATOM 0 H ASP A 14 6.649 1.705 2.232 1.00 0.00 H new ATOM 0 HA ASP A 14 6.431 0.901 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.032 1.552 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.696 0.272 4.737 1.00 0.00 H new ATOM 192 N GLY A 15 7.375 3.912 4.308 1.00 0.00 N ATOM 193 CA GLY A 15 7.767 5.222 4.905 1.00 0.00 C ATOM 194 C GLY A 15 9.274 5.424 4.804 1.00 0.00 C ATOM 195 O GLY A 15 9.880 5.251 3.765 1.00 0.00 O ATOM 0 H GLY A 15 7.078 3.951 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.250 6.032 4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.458 5.259 5.950 1.00 0.00 H new ATOM 199 N GLY A 16 9.874 5.788 5.900 1.00 0.00 N ATOM 200 CA GLY A 16 11.351 6.013 5.924 1.00 0.00 C ATOM 201 C GLY A 16 11.754 7.219 5.075 1.00 0.00 C ATOM 202 O GLY A 16 11.943 8.307 5.580 1.00 0.00 O ATOM 0 H GLY A 16 9.403 5.942 6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.679 6.166 6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.861 5.123 5.556 1.00 0.00 H new ATOM 206 N GLU A 17 11.932 7.030 3.797 1.00 0.00 N ATOM 207 CA GLU A 17 12.371 8.165 2.940 1.00 0.00 C ATOM 208 C GLU A 17 11.275 8.606 1.973 1.00 0.00 C ATOM 209 O GLU A 17 10.514 7.810 1.459 1.00 0.00 O ATOM 210 CB GLU A 17 13.568 7.728 2.117 1.00 0.00 C ATOM 211 CG GLU A 17 14.841 7.802 2.963 1.00 0.00 C ATOM 212 CD GLU A 17 15.427 6.399 3.131 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.652 5.471 3.290 1.00 0.00 O ATOM 214 OE2 GLU A 17 16.640 6.277 3.099 1.00 0.00 O ATOM 0 H GLU A 17 11.793 6.144 3.312 1.00 0.00 H new ATOM 0 HA GLU A 17 12.616 8.999 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.420 6.710 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.668 8.366 1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.570 8.457 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.617 8.233 3.939 1.00 0.00 H new ATOM 221 N CYS A 18 11.210 9.880 1.722 1.00 0.00 N ATOM 222 CA CYS A 18 10.176 10.422 0.777 1.00 0.00 C ATOM 223 C CYS A 18 10.729 10.380 -0.646 1.00 0.00 C ATOM 224 O CYS A 18 9.999 10.487 -1.611 1.00 0.00 O ATOM 225 CB CYS A 18 9.851 11.888 1.093 1.00 0.00 C ATOM 226 SG CYS A 18 8.403 11.991 2.183 1.00 0.00 S ATOM 0 H CYS A 18 11.829 10.581 2.129 1.00 0.00 H new ATOM 0 HA CYS A 18 9.277 9.814 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 18 10.708 12.363 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.658 12.432 0.169 1.00 0.00 H new ATOM 0 HG CYS A 18 8.423 13.121 2.825 1.00 0.00 H new ATOM 232 N PHE A 19 12.016 10.240 -0.785 1.00 0.00 N ATOM 233 CA PHE A 19 12.616 10.211 -2.146 1.00 0.00 C ATOM 234 C PHE A 19 12.648 8.782 -2.664 1.00 0.00 C ATOM 235 O PHE A 19 13.236 8.486 -3.686 1.00 0.00 O ATOM 236 CB PHE A 19 14.016 10.810 -2.094 1.00 0.00 C ATOM 237 CG PHE A 19 13.848 12.295 -1.953 1.00 0.00 C ATOM 238 CD1 PHE A 19 13.389 13.043 -3.043 1.00 0.00 C ATOM 239 CD2 PHE A 19 14.101 12.918 -0.729 1.00 0.00 C ATOM 240 CE1 PHE A 19 13.189 14.416 -2.909 1.00 0.00 C ATOM 241 CE2 PHE A 19 13.892 14.292 -0.594 1.00 0.00 C ATOM 242 CZ PHE A 19 13.437 15.038 -1.683 1.00 0.00 C ATOM 0 H PHE A 19 12.678 10.144 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 19 12.011 10.805 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.579 10.403 -1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.574 10.568 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 19 13.190 12.557 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.457 12.339 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 19 12.843 14.997 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.082 14.777 0.352 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.276 16.101 -1.577 1.00 0.00 H new ATOM 252 N GLN A 20 11.970 7.905 -1.989 1.00 0.00 N ATOM 253 CA GLN A 20 11.894 6.503 -2.452 1.00 0.00 C ATOM 254 C GLN A 20 10.557 6.374 -3.174 1.00 0.00 C ATOM 255 O GLN A 20 9.586 6.980 -2.764 1.00 0.00 O ATOM 256 CB GLN A 20 11.945 5.563 -1.237 1.00 0.00 C ATOM 257 CG GLN A 20 11.723 4.116 -1.682 1.00 0.00 C ATOM 258 CD GLN A 20 11.502 3.231 -0.453 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.009 3.687 0.560 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.850 1.973 -0.498 1.00 0.00 N ATOM 0 H GLN A 20 11.461 8.104 -1.128 1.00 0.00 H new ATOM 0 HA GLN A 20 12.722 6.240 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.909 5.654 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.182 5.850 -0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.860 4.057 -2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.585 3.762 -2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.264 1.588 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.708 1.375 0.316 1.00 0.00 H new ATOM 269 N PRO A 21 10.528 5.617 -4.229 1.00 0.00 N ATOM 270 CA PRO A 21 9.295 5.444 -5.008 1.00 0.00 C ATOM 271 C PRO A 21 8.272 4.688 -4.172 1.00 0.00 C ATOM 272 O PRO A 21 8.569 3.667 -3.587 1.00 0.00 O ATOM 273 CB PRO A 21 9.750 4.659 -6.242 1.00 0.00 C ATOM 274 CG PRO A 21 11.082 3.979 -5.850 1.00 0.00 C ATOM 275 CD PRO A 21 11.684 4.846 -4.729 1.00 0.00 C ATOM 0 HA PRO A 21 8.809 6.377 -5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.004 3.918 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.887 5.321 -7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.913 2.958 -5.507 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.757 3.921 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.128 4.234 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.470 5.500 -5.106 1.00 0.00 H new ATOM 283 N SER A 22 7.070 5.190 -4.084 1.00 0.00 N ATOM 284 CA SER A 22 6.063 4.497 -3.256 1.00 0.00 C ATOM 285 C SER A 22 5.086 3.777 -4.170 1.00 0.00 C ATOM 286 O SER A 22 4.326 4.394 -4.884 1.00 0.00 O ATOM 287 CB SER A 22 5.321 5.546 -2.465 1.00 0.00 C ATOM 288 OG SER A 22 5.230 5.129 -1.110 1.00 0.00 O ATOM 0 H SER A 22 6.751 6.041 -4.547 1.00 0.00 H new ATOM 0 HA SER A 22 6.536 3.776 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.840 6.503 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.324 5.695 -2.880 1.00 0.00 H new ATOM 0 HG SER A 22 4.574 5.685 -0.640 1.00 0.00 H new ATOM 294 N LYS A 23 5.105 2.474 -4.164 1.00 0.00 N ATOM 295 CA LYS A 23 4.179 1.726 -5.044 1.00 0.00 C ATOM 296 C LYS A 23 3.852 0.368 -4.435 1.00 0.00 C ATOM 297 O LYS A 23 4.717 -0.341 -3.964 1.00 0.00 O ATOM 298 CB LYS A 23 4.841 1.500 -6.397 1.00 0.00 C ATOM 299 CG LYS A 23 5.638 2.740 -6.810 1.00 0.00 C ATOM 300 CD LYS A 23 6.056 2.611 -8.278 1.00 0.00 C ATOM 301 CE LYS A 23 7.568 2.806 -8.404 1.00 0.00 C ATOM 302 NZ LYS A 23 8.112 1.851 -9.412 1.00 0.00 N ATOM 0 H LYS A 23 5.721 1.900 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 23 3.263 2.305 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.502 0.634 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.083 1.279 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.035 3.637 -6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.519 2.847 -6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.773 1.631 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.533 3.353 -8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.789 3.831 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.048 2.644 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.140 1.984 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.913 0.876 -9.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.663 2.026 -10.334 1.00 0.00 H new ATOM 316 N PHE A 24 2.605 -0.003 -4.455 1.00 0.00 N ATOM 317 CA PHE A 24 2.208 -1.326 -3.894 1.00 0.00 C ATOM 318 C PHE A 24 1.134 -1.950 -4.780 1.00 0.00 C ATOM 319 O PHE A 24 0.443 -1.265 -5.514 1.00 0.00 O ATOM 320 CB PHE A 24 1.664 -1.198 -2.461 1.00 0.00 C ATOM 321 CG PHE A 24 1.697 0.234 -2.011 1.00 0.00 C ATOM 322 CD1 PHE A 24 2.924 0.880 -1.870 1.00 0.00 C ATOM 323 CD2 PHE A 24 0.507 0.913 -1.738 1.00 0.00 C ATOM 324 CE1 PHE A 24 2.968 2.211 -1.456 1.00 0.00 C ATOM 325 CE2 PHE A 24 0.550 2.245 -1.324 1.00 0.00 C ATOM 326 CZ PHE A 24 1.784 2.893 -1.185 1.00 0.00 C ATOM 0 H PHE A 24 1.840 0.553 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 24 3.097 -1.957 -3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 24 0.642 -1.575 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.258 -1.812 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.841 0.350 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.442 0.409 -1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.918 2.712 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.366 2.775 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.818 3.925 -0.867 1.00 0.00 H new ATOM 336 N LYS A 25 0.982 -3.242 -4.713 1.00 0.00 N ATOM 337 CA LYS A 25 -0.053 -3.908 -5.550 1.00 0.00 C ATOM 338 C LYS A 25 -1.095 -4.520 -4.621 1.00 0.00 C ATOM 339 O LYS A 25 -0.774 -5.019 -3.558 1.00 0.00 O ATOM 340 CB LYS A 25 0.601 -5.003 -6.392 1.00 0.00 C ATOM 341 CG LYS A 25 1.737 -4.397 -7.217 1.00 0.00 C ATOM 342 CD LYS A 25 1.725 -4.996 -8.623 1.00 0.00 C ATOM 343 CE LYS A 25 2.346 -6.393 -8.590 1.00 0.00 C ATOM 344 NZ LYS A 25 2.914 -6.714 -9.929 1.00 0.00 N ATOM 0 H LYS A 25 1.528 -3.864 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.526 -3.187 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.986 -5.792 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.137 -5.461 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.623 -3.314 -7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.695 -4.593 -6.735 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.703 -5.050 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.282 -4.355 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.127 -6.438 -7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.593 -7.131 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.337 -7.664 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.158 -6.687 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.645 -6.015 -10.173 1.00 0.00 H new ATOM 358 N ILE A 26 -2.348 -4.460 -4.984 1.00 0.00 N ATOM 359 CA ILE A 26 -3.388 -5.012 -4.086 1.00 0.00 C ATOM 360 C ILE A 26 -4.022 -6.257 -4.691 1.00 0.00 C ATOM 361 O ILE A 26 -4.028 -6.453 -5.889 1.00 0.00 O ATOM 362 CB ILE A 26 -4.461 -3.957 -3.841 1.00 0.00 C ATOM 363 CG1 ILE A 26 -3.793 -2.600 -3.607 1.00 0.00 C ATOM 364 CG2 ILE A 26 -5.272 -4.349 -2.607 1.00 0.00 C ATOM 365 CD1 ILE A 26 -4.866 -1.535 -3.375 1.00 0.00 C ATOM 0 H ILE A 26 -2.689 -4.056 -5.856 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.920 -5.289 -3.141 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.120 -3.890 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.128 -2.654 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.180 -2.332 -4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.042 -3.599 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.742 -5.319 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.612 -4.409 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.390 -0.569 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.514 -1.474 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.461 -1.802 -2.501 1.00 0.00 H new ATOM 377 N HIS A 27 -4.552 -7.099 -3.853 1.00 0.00 N ATOM 378 CA HIS A 27 -5.193 -8.347 -4.341 1.00 0.00 C ATOM 379 C HIS A 27 -6.452 -8.640 -3.528 1.00 0.00 C ATOM 380 O HIS A 27 -6.408 -8.806 -2.320 1.00 0.00 O ATOM 381 CB HIS A 27 -4.215 -9.510 -4.185 1.00 0.00 C ATOM 382 CG HIS A 27 -2.844 -9.052 -4.578 1.00 0.00 C ATOM 383 ND1 HIS A 27 -2.190 -8.037 -3.902 1.00 0.00 N ATOM 384 CD2 HIS A 27 -1.993 -9.446 -5.580 1.00 0.00 C ATOM 385 CE1 HIS A 27 -1.002 -7.853 -4.499 1.00 0.00 C ATOM 386 NE2 HIS A 27 -0.828 -8.686 -5.528 1.00 0.00 N ATOM 0 H HIS A 27 -4.568 -6.974 -2.841 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.462 -8.224 -5.390 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.212 -9.864 -3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.525 -10.348 -4.809 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.196 -10.226 -6.299 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.274 -7.119 -4.185 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.017 -8.751 -6.143 1.00 0.00 H new ATOM 394 N ALA A 28 -7.575 -8.702 -4.186 1.00 0.00 N ATOM 395 CA ALA A 28 -8.851 -8.992 -3.472 1.00 0.00 C ATOM 396 C ALA A 28 -9.241 -10.460 -3.691 1.00 0.00 C ATOM 397 O ALA A 28 -8.955 -11.032 -4.723 1.00 0.00 O ATOM 398 CB ALA A 28 -9.952 -8.090 -4.030 1.00 0.00 C ATOM 0 H ALA A 28 -7.665 -8.564 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.723 -8.806 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.889 -8.297 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.677 -7.046 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.076 -8.284 -5.095 1.00 0.00 H new ATOM 404 N VAL A 29 -9.900 -11.073 -2.736 1.00 0.00 N ATOM 405 CA VAL A 29 -10.317 -12.496 -2.910 1.00 0.00 C ATOM 406 C VAL A 29 -11.783 -12.645 -2.482 1.00 0.00 C ATOM 407 O VAL A 29 -12.175 -12.252 -1.401 1.00 0.00 O ATOM 408 CB VAL A 29 -9.420 -13.407 -2.064 1.00 0.00 C ATOM 409 CG1 VAL A 29 -10.103 -14.763 -1.845 1.00 0.00 C ATOM 410 CG2 VAL A 29 -8.096 -13.625 -2.797 1.00 0.00 C ATOM 0 H VAL A 29 -10.165 -10.649 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.217 -12.785 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.241 -12.937 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.457 -15.403 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.051 -14.614 -1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.287 -15.238 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.452 -14.272 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.287 -14.093 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.603 -12.665 -2.951 1.00 0.00 H new ATOM 420 N ASP A 30 -12.588 -13.215 -3.335 1.00 0.00 N ATOM 421 CA ASP A 30 -14.036 -13.409 -3.024 1.00 0.00 C ATOM 422 C ASP A 30 -14.291 -14.926 -2.906 1.00 0.00 C ATOM 423 O ASP A 30 -13.347 -15.688 -2.844 1.00 0.00 O ATOM 424 CB ASP A 30 -14.850 -12.759 -4.155 1.00 0.00 C ATOM 425 CG ASP A 30 -15.912 -11.822 -3.585 1.00 0.00 C ATOM 426 OD1 ASP A 30 -15.534 -10.881 -2.915 1.00 0.00 O ATOM 427 OD2 ASP A 30 -17.080 -12.043 -3.855 1.00 0.00 O ATOM 0 H ASP A 30 -12.300 -13.561 -4.250 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.334 -12.943 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.185 -12.204 -4.816 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.326 -13.532 -4.758 1.00 0.00 H new ATOM 432 N PRO A 31 -15.535 -15.333 -2.835 1.00 0.00 N ATOM 433 CA PRO A 31 -15.885 -16.758 -2.673 1.00 0.00 C ATOM 434 C PRO A 31 -15.820 -17.548 -3.992 1.00 0.00 C ATOM 435 O PRO A 31 -16.568 -18.486 -4.185 1.00 0.00 O ATOM 436 CB PRO A 31 -17.320 -16.712 -2.143 1.00 0.00 C ATOM 437 CG PRO A 31 -17.900 -15.339 -2.560 1.00 0.00 C ATOM 438 CD PRO A 31 -16.702 -14.434 -2.907 1.00 0.00 C ATOM 0 HA PRO A 31 -15.185 -17.270 -2.013 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -17.913 -17.526 -2.559 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.337 -16.827 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.565 -15.445 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.489 -14.907 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.807 -13.997 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.611 -13.607 -2.203 1.00 0.00 H new ATOM 446 N ASP A 32 -14.940 -17.207 -4.900 1.00 0.00 N ATOM 447 CA ASP A 32 -14.873 -17.990 -6.170 1.00 0.00 C ATOM 448 C ASP A 32 -13.410 -18.241 -6.556 1.00 0.00 C ATOM 449 O ASP A 32 -13.109 -18.569 -7.686 1.00 0.00 O ATOM 450 CB ASP A 32 -15.568 -17.208 -7.286 1.00 0.00 C ATOM 451 CG ASP A 32 -15.365 -15.708 -7.062 1.00 0.00 C ATOM 452 OD1 ASP A 32 -14.412 -15.353 -6.389 1.00 0.00 O ATOM 453 OD2 ASP A 32 -16.168 -14.940 -7.567 1.00 0.00 O ATOM 0 H ASP A 32 -14.277 -16.436 -4.820 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.373 -18.948 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.163 -17.500 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.632 -17.443 -7.301 1.00 0.00 H new ATOM 458 N GLY A 33 -12.493 -18.064 -5.641 1.00 0.00 N ATOM 459 CA GLY A 33 -11.060 -18.265 -5.983 1.00 0.00 C ATOM 460 C GLY A 33 -10.692 -17.155 -6.950 1.00 0.00 C ATOM 461 O GLY A 33 -9.916 -17.329 -7.868 1.00 0.00 O ATOM 0 H GLY A 33 -12.677 -17.790 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.438 -18.224 -5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.902 -19.244 -6.436 1.00 0.00 H new ATOM 465 N VAL A 34 -11.295 -16.017 -6.757 1.00 0.00 N ATOM 466 CA VAL A 34 -11.057 -14.872 -7.663 1.00 0.00 C ATOM 467 C VAL A 34 -11.162 -13.574 -6.866 1.00 0.00 C ATOM 468 O VAL A 34 -11.592 -13.565 -5.730 1.00 0.00 O ATOM 469 CB VAL A 34 -12.140 -14.877 -8.750 1.00 0.00 C ATOM 470 CG1 VAL A 34 -11.543 -14.377 -10.061 1.00 0.00 C ATOM 471 CG2 VAL A 34 -12.680 -16.297 -8.949 1.00 0.00 C ATOM 0 H VAL A 34 -11.951 -15.834 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.068 -14.949 -8.114 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.957 -14.224 -8.442 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -12.311 -14.380 -10.835 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -11.167 -13.363 -9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -10.724 -15.031 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -13.448 -16.289 -9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.867 -16.956 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -13.110 -16.657 -8.014 1.00 0.00 H new ATOM 481 N HIS A 35 -10.798 -12.473 -7.457 1.00 0.00 N ATOM 482 CA HIS A 35 -10.912 -11.180 -6.733 1.00 0.00 C ATOM 483 C HIS A 35 -12.331 -10.668 -6.929 1.00 0.00 C ATOM 484 O HIS A 35 -12.561 -9.582 -7.417 1.00 0.00 O ATOM 485 CB HIS A 35 -9.903 -10.182 -7.297 1.00 0.00 C ATOM 486 CG HIS A 35 -8.619 -10.902 -7.600 1.00 0.00 C ATOM 487 ND1 HIS A 35 -7.486 -10.763 -6.816 1.00 0.00 N ATOM 488 CD2 HIS A 35 -8.275 -11.772 -8.605 1.00 0.00 C ATOM 489 CE1 HIS A 35 -6.523 -11.532 -7.358 1.00 0.00 C ATOM 490 NE2 HIS A 35 -6.952 -12.168 -8.451 1.00 0.00 N ATOM 0 H HIS A 35 -10.428 -12.412 -8.406 1.00 0.00 H new ATOM 0 HA HIS A 35 -10.701 -11.309 -5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.297 -9.719 -8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.725 -9.381 -6.580 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.933 -12.099 -9.396 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.524 -11.623 -6.957 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.423 -12.807 -9.045 1.00 0.00 H new ATOM 498 N ARG A 36 -13.282 -11.474 -6.563 1.00 0.00 N ATOM 499 CA ARG A 36 -14.706 -11.101 -6.727 1.00 0.00 C ATOM 500 C ARG A 36 -14.991 -10.934 -8.215 1.00 0.00 C ATOM 501 O ARG A 36 -15.267 -9.847 -8.683 1.00 0.00 O ATOM 502 CB ARG A 36 -14.998 -9.791 -6.000 1.00 0.00 C ATOM 503 CG ARG A 36 -16.511 -9.635 -5.863 1.00 0.00 C ATOM 504 CD ARG A 36 -16.859 -8.168 -5.599 1.00 0.00 C ATOM 505 NE ARG A 36 -18.002 -7.767 -6.468 1.00 0.00 N ATOM 506 CZ ARG A 36 -18.819 -6.824 -6.081 1.00 0.00 C ATOM 507 NH1 ARG A 36 -19.275 -6.812 -4.858 1.00 0.00 N ATOM 508 NH2 ARG A 36 -19.182 -5.892 -6.921 1.00 0.00 N ATOM 0 H ARG A 36 -13.128 -12.393 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.340 -11.880 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.527 -9.791 -5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.580 -8.950 -6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -17.005 -9.978 -6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -16.878 -10.258 -5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.119 -8.027 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.995 -7.535 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.146 -8.229 -7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.994 -7.540 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.913 -6.074 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.828 -5.901 -7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.820 -5.155 -6.621 1.00 0.00 H new ATOM 522 N THR A 37 -14.909 -11.996 -8.967 1.00 0.00 N ATOM 523 CA THR A 37 -15.156 -11.875 -10.430 1.00 0.00 C ATOM 524 C THR A 37 -14.380 -10.660 -10.956 1.00 0.00 C ATOM 525 O THR A 37 -14.885 -9.554 -10.959 1.00 0.00 O ATOM 526 CB THR A 37 -16.653 -11.672 -10.681 1.00 0.00 C ATOM 527 OG1 THR A 37 -17.396 -12.520 -9.817 1.00 0.00 O ATOM 528 CG2 THR A 37 -16.979 -12.011 -12.137 1.00 0.00 C ATOM 0 H THR A 37 -14.684 -12.934 -8.636 1.00 0.00 H new ATOM 0 HA THR A 37 -14.828 -12.780 -10.941 1.00 0.00 H new ATOM 0 HB THR A 37 -16.917 -10.633 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.354 -12.390 -9.975 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.045 -11.866 -12.314 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.409 -11.359 -12.799 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.716 -13.050 -12.336 1.00 0.00 H new ATOM 536 N ASP A 38 -13.152 -10.847 -11.383 1.00 0.00 N ATOM 537 CA ASP A 38 -12.346 -9.695 -11.887 1.00 0.00 C ATOM 538 C ASP A 38 -13.231 -8.757 -12.709 1.00 0.00 C ATOM 539 O ASP A 38 -14.182 -9.177 -13.337 1.00 0.00 O ATOM 540 CB ASP A 38 -11.211 -10.221 -12.769 1.00 0.00 C ATOM 541 CG ASP A 38 -9.952 -9.383 -12.541 1.00 0.00 C ATOM 542 OD1 ASP A 38 -10.090 -8.222 -12.196 1.00 0.00 O ATOM 543 OD2 ASP A 38 -8.871 -9.919 -12.719 1.00 0.00 O ATOM 0 H ASP A 38 -12.676 -11.749 -11.403 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.934 -9.147 -11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.011 -11.267 -12.536 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.503 -10.179 -13.818 1.00 0.00 H new ATOM 548 N GLY A 39 -12.924 -7.488 -12.713 1.00 0.00 N ATOM 549 CA GLY A 39 -13.747 -6.526 -13.500 1.00 0.00 C ATOM 550 C GLY A 39 -14.834 -5.904 -12.611 1.00 0.00 C ATOM 551 O GLY A 39 -15.140 -4.733 -12.728 1.00 0.00 O ATOM 0 H GLY A 39 -12.140 -7.077 -12.206 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.110 -5.742 -13.910 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.207 -7.037 -14.345 1.00 0.00 H new ATOM 555 N GLY A 40 -15.433 -6.670 -11.734 1.00 0.00 N ATOM 556 CA GLY A 40 -16.504 -6.101 -10.866 1.00 0.00 C ATOM 557 C GLY A 40 -16.051 -6.081 -9.402 1.00 0.00 C ATOM 558 O GLY A 40 -16.731 -6.582 -8.529 1.00 0.00 O ATOM 0 H GLY A 40 -15.227 -7.658 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.746 -5.090 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.413 -6.694 -10.964 1.00 0.00 H new ATOM 562 N ASP A 41 -14.917 -5.497 -9.120 1.00 0.00 N ATOM 563 CA ASP A 41 -14.443 -5.440 -7.706 1.00 0.00 C ATOM 564 C ASP A 41 -14.583 -4.010 -7.187 1.00 0.00 C ATOM 565 O ASP A 41 -13.872 -3.122 -7.610 1.00 0.00 O ATOM 566 CB ASP A 41 -12.968 -5.857 -7.632 1.00 0.00 C ATOM 567 CG ASP A 41 -12.783 -7.206 -8.324 1.00 0.00 C ATOM 568 OD1 ASP A 41 -13.783 -7.808 -8.680 1.00 0.00 O ATOM 569 OD2 ASP A 41 -11.647 -7.615 -8.487 1.00 0.00 O ATOM 0 H ASP A 41 -14.300 -5.059 -9.804 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.042 -6.119 -7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.342 -5.103 -8.109 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.650 -5.924 -6.592 1.00 0.00 H new ATOM 574 N GLY A 42 -15.483 -3.778 -6.265 1.00 0.00 N ATOM 575 CA GLY A 42 -15.637 -2.401 -5.714 1.00 0.00 C ATOM 576 C GLY A 42 -14.332 -2.034 -5.017 1.00 0.00 C ATOM 577 O GLY A 42 -14.221 -2.088 -3.809 1.00 0.00 O ATOM 0 H GLY A 42 -16.113 -4.478 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.857 -1.692 -6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.470 -2.360 -5.012 1.00 0.00 H new ATOM 581 N PHE A 43 -13.328 -1.703 -5.776 1.00 0.00 N ATOM 582 CA PHE A 43 -12.012 -1.383 -5.171 1.00 0.00 C ATOM 583 C PHE A 43 -11.732 0.115 -5.214 1.00 0.00 C ATOM 584 O PHE A 43 -11.706 0.729 -6.261 1.00 0.00 O ATOM 585 CB PHE A 43 -10.918 -2.103 -5.954 1.00 0.00 C ATOM 586 CG PHE A 43 -9.986 -2.798 -4.998 1.00 0.00 C ATOM 587 CD1 PHE A 43 -9.101 -2.049 -4.212 1.00 0.00 C ATOM 588 CD2 PHE A 43 -10.000 -4.192 -4.902 1.00 0.00 C ATOM 589 CE1 PHE A 43 -8.233 -2.699 -3.330 1.00 0.00 C ATOM 590 CE2 PHE A 43 -9.131 -4.840 -4.022 1.00 0.00 C ATOM 591 CZ PHE A 43 -8.248 -4.096 -3.235 1.00 0.00 C ATOM 0 H PHE A 43 -13.364 -1.641 -6.793 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.027 -1.706 -4.130 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.362 -2.828 -6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.364 -1.390 -6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.089 -0.972 -4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.683 -4.768 -5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.551 -2.124 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.141 -5.918 -3.949 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.577 -4.598 -2.554 1.00 0.00 H new ATOM 601 N VAL A 44 -11.475 0.689 -4.078 1.00 0.00 N ATOM 602 CA VAL A 44 -11.135 2.133 -4.029 1.00 0.00 C ATOM 603 C VAL A 44 -9.924 2.291 -3.106 1.00 0.00 C ATOM 604 O VAL A 44 -10.006 2.074 -1.913 1.00 0.00 O ATOM 605 CB VAL A 44 -12.335 2.952 -3.504 1.00 0.00 C ATOM 606 CG1 VAL A 44 -13.206 2.087 -2.592 1.00 0.00 C ATOM 607 CG2 VAL A 44 -11.845 4.177 -2.717 1.00 0.00 C ATOM 0 H VAL A 44 -11.486 0.217 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.900 2.505 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.921 3.284 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.048 2.675 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.578 1.228 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.614 1.740 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.703 4.743 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.243 3.848 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.241 4.810 -3.368 1.00 0.00 H new ATOM 617 N VAL A 45 -8.805 2.670 -3.651 1.00 0.00 N ATOM 618 CA VAL A 45 -7.593 2.844 -2.810 1.00 0.00 C ATOM 619 C VAL A 45 -7.099 4.269 -2.959 1.00 0.00 C ATOM 620 O VAL A 45 -7.290 4.900 -3.979 1.00 0.00 O ATOM 621 CB VAL A 45 -6.506 1.868 -3.254 1.00 0.00 C ATOM 622 CG1 VAL A 45 -5.285 2.014 -2.343 1.00 0.00 C ATOM 623 CG2 VAL A 45 -7.039 0.437 -3.168 1.00 0.00 C ATOM 0 H VAL A 45 -8.678 2.867 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.835 2.643 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.219 2.087 -4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.509 1.317 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.905 3.034 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.571 1.795 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.263 -0.260 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.326 0.217 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.908 0.333 -3.818 1.00 0.00 H new ATOM 633 N THR A 46 -6.475 4.795 -1.954 1.00 0.00 N ATOM 634 CA THR A 46 -5.993 6.188 -2.062 1.00 0.00 C ATOM 635 C THR A 46 -4.898 6.463 -1.039 1.00 0.00 C ATOM 636 O THR A 46 -5.022 6.159 0.135 1.00 0.00 O ATOM 637 CB THR A 46 -7.159 7.151 -1.829 1.00 0.00 C ATOM 638 OG1 THR A 46 -8.324 6.411 -1.494 1.00 0.00 O ATOM 639 CG2 THR A 46 -7.414 7.960 -3.102 1.00 0.00 C ATOM 0 H THR A 46 -6.279 4.326 -1.070 1.00 0.00 H new ATOM 0 HA THR A 46 -5.582 6.336 -3.061 1.00 0.00 H new ATOM 0 HB THR A 46 -6.913 7.829 -1.012 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.071 7.027 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.245 8.646 -2.937 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.519 8.528 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 46 -7.660 7.283 -3.920 1.00 0.00 H new ATOM 647 N ILE A 47 -3.845 7.076 -1.485 1.00 0.00 N ATOM 648 CA ILE A 47 -2.733 7.446 -0.578 1.00 0.00 C ATOM 649 C ILE A 47 -2.518 8.941 -0.690 1.00 0.00 C ATOM 650 O ILE A 47 -2.831 9.552 -1.692 1.00 0.00 O ATOM 651 CB ILE A 47 -1.426 6.751 -0.980 1.00 0.00 C ATOM 652 CG1 ILE A 47 -1.367 5.337 -0.377 1.00 0.00 C ATOM 653 CG2 ILE A 47 -0.232 7.592 -0.479 1.00 0.00 C ATOM 654 CD1 ILE A 47 0.075 5.036 0.039 1.00 0.00 C ATOM 0 H ILE A 47 -3.706 7.342 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.994 7.142 0.436 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.381 6.664 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.031 5.267 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.711 4.602 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.701 7.104 -0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.272 8.585 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.280 7.682 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.129 4.035 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.725 5.092 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.400 5.766 0.780 1.00 0.00 H new ATOM 666 N GLU A 48 -1.947 9.532 0.307 1.00 0.00 N ATOM 667 CA GLU A 48 -1.679 10.984 0.201 1.00 0.00 C ATOM 668 C GLU A 48 -0.738 11.443 1.314 1.00 0.00 C ATOM 669 O GLU A 48 -0.695 10.887 2.395 1.00 0.00 O ATOM 670 CB GLU A 48 -2.992 11.769 0.278 1.00 0.00 C ATOM 671 CG GLU A 48 -4.022 10.986 1.100 1.00 0.00 C ATOM 672 CD GLU A 48 -4.733 11.934 2.066 1.00 0.00 C ATOM 673 OE1 GLU A 48 -4.065 12.785 2.630 1.00 0.00 O ATOM 674 OE2 GLU A 48 -5.934 11.792 2.228 1.00 0.00 O ATOM 0 H GLU A 48 -1.657 9.086 1.177 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.201 11.174 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.817 12.744 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.377 11.950 -0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.748 10.513 0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.529 10.188 1.655 1.00 0.00 H new ATOM 681 N GLY A 49 0.011 12.469 1.033 1.00 0.00 N ATOM 682 CA GLY A 49 0.969 13.027 2.024 1.00 0.00 C ATOM 683 C GLY A 49 1.186 14.505 1.692 1.00 0.00 C ATOM 684 O GLY A 49 0.466 15.065 0.892 1.00 0.00 O ATOM 0 H GLY A 49 -0.001 12.956 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.578 12.917 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.914 12.485 1.987 1.00 0.00 H new ATOM 688 N PRO A 50 2.167 15.097 2.310 1.00 0.00 N ATOM 689 CA PRO A 50 2.492 16.515 2.082 1.00 0.00 C ATOM 690 C PRO A 50 3.233 16.681 0.749 1.00 0.00 C ATOM 691 O PRO A 50 4.422 16.929 0.721 1.00 0.00 O ATOM 692 CB PRO A 50 3.398 16.868 3.265 1.00 0.00 C ATOM 693 CG PRO A 50 3.990 15.531 3.774 1.00 0.00 C ATOM 694 CD PRO A 50 3.044 14.418 3.283 1.00 0.00 C ATOM 0 HA PRO A 50 1.613 17.157 2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.189 17.552 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.833 17.367 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.998 15.381 3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.061 15.528 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.596 13.601 2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.471 13.990 4.105 1.00 0.00 H new ATOM 702 N ALA A 51 2.544 16.543 -0.356 1.00 0.00 N ATOM 703 CA ALA A 51 3.228 16.691 -1.675 1.00 0.00 C ATOM 704 C ALA A 51 2.192 16.942 -2.777 1.00 0.00 C ATOM 705 O ALA A 51 1.005 16.960 -2.518 1.00 0.00 O ATOM 706 CB ALA A 51 4.006 15.409 -1.980 1.00 0.00 C ATOM 0 H ALA A 51 1.546 16.336 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 51 3.913 17.538 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.509 15.509 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.747 15.239 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.317 14.565 -2.016 1.00 0.00 H new ATOM 712 N PRO A 52 2.677 17.132 -3.981 1.00 0.00 N ATOM 713 CA PRO A 52 1.820 17.387 -5.155 1.00 0.00 C ATOM 714 C PRO A 52 1.190 16.080 -5.646 1.00 0.00 C ATOM 715 O PRO A 52 0.003 16.009 -5.903 1.00 0.00 O ATOM 716 CB PRO A 52 2.794 17.954 -6.193 1.00 0.00 C ATOM 717 CG PRO A 52 4.205 17.474 -5.778 1.00 0.00 C ATOM 718 CD PRO A 52 4.125 17.105 -4.285 1.00 0.00 C ATOM 0 HA PRO A 52 0.991 18.063 -4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.543 17.602 -7.194 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.746 19.043 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.512 16.614 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.945 18.257 -5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.554 16.121 -4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.675 17.817 -3.669 1.00 0.00 H new ATOM 726 N VAL A 53 1.971 15.043 -5.759 1.00 0.00 N ATOM 727 CA VAL A 53 1.419 13.735 -6.211 1.00 0.00 C ATOM 728 C VAL A 53 0.946 12.969 -4.975 1.00 0.00 C ATOM 729 O VAL A 53 1.593 12.045 -4.522 1.00 0.00 O ATOM 730 CB VAL A 53 2.518 12.936 -6.913 1.00 0.00 C ATOM 731 CG1 VAL A 53 2.762 13.521 -8.305 1.00 0.00 C ATOM 732 CG2 VAL A 53 3.807 13.021 -6.091 1.00 0.00 C ATOM 0 H VAL A 53 2.971 15.044 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 53 0.592 13.889 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 53 2.211 11.894 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.545 12.952 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.843 13.466 -8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.072 14.562 -8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.593 12.453 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.114 14.063 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.633 12.608 -5.098 1.00 0.00 H new ATOM 742 N ASP A 54 -0.157 13.368 -4.399 1.00 0.00 N ATOM 743 CA ASP A 54 -0.638 12.684 -3.169 1.00 0.00 C ATOM 744 C ASP A 54 -1.586 11.514 -3.517 1.00 0.00 C ATOM 745 O ASP A 54 -1.236 10.374 -3.286 1.00 0.00 O ATOM 746 CB ASP A 54 -1.320 13.722 -2.272 1.00 0.00 C ATOM 747 CG ASP A 54 -0.254 14.501 -1.493 1.00 0.00 C ATOM 748 OD1 ASP A 54 0.808 13.945 -1.259 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.513 15.643 -1.147 1.00 0.00 O ATOM 0 H ASP A 54 -0.742 14.136 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 54 0.205 12.248 -2.634 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.916 14.405 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.003 13.229 -1.581 1.00 0.00 H new ATOM 754 N PRO A 55 -2.751 11.804 -4.060 1.00 0.00 N ATOM 755 CA PRO A 55 -3.726 10.752 -4.432 1.00 0.00 C ATOM 756 C PRO A 55 -3.294 10.036 -5.718 1.00 0.00 C ATOM 757 O PRO A 55 -3.403 10.576 -6.801 1.00 0.00 O ATOM 758 CB PRO A 55 -5.022 11.528 -4.673 1.00 0.00 C ATOM 759 CG PRO A 55 -4.600 12.980 -4.990 1.00 0.00 C ATOM 760 CD PRO A 55 -3.214 13.178 -4.354 1.00 0.00 C ATOM 0 HA PRO A 55 -3.821 9.981 -3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.586 11.097 -5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.666 11.492 -3.795 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.561 13.147 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.319 13.691 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.533 13.691 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.274 13.781 -3.448 1.00 0.00 H new ATOM 768 N VAL A 56 -2.795 8.830 -5.616 1.00 0.00 N ATOM 769 CA VAL A 56 -2.357 8.112 -6.834 1.00 0.00 C ATOM 770 C VAL A 56 -2.796 6.649 -6.784 1.00 0.00 C ATOM 771 O VAL A 56 -2.101 5.809 -6.248 1.00 0.00 O ATOM 772 CB VAL A 56 -0.849 8.136 -6.881 1.00 0.00 C ATOM 773 CG1 VAL A 56 -0.386 7.835 -8.310 1.00 0.00 C ATOM 774 CG2 VAL A 56 -0.342 9.515 -6.454 1.00 0.00 C ATOM 0 H VAL A 56 -2.675 8.319 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.797 8.595 -7.706 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.449 7.384 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.703 7.851 -8.351 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.746 6.851 -8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.785 8.589 -8.988 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.747 9.529 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.737 10.273 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.675 9.727 -5.438 1.00 0.00 H new ATOM 784 N MET A 57 -3.919 6.323 -7.347 1.00 0.00 N ATOM 785 CA MET A 57 -4.347 4.897 -7.325 1.00 0.00 C ATOM 786 C MET A 57 -4.969 4.502 -8.670 1.00 0.00 C ATOM 787 O MET A 57 -5.695 5.260 -9.283 1.00 0.00 O ATOM 788 CB MET A 57 -5.333 4.674 -6.169 1.00 0.00 C ATOM 789 CG MET A 57 -6.697 5.283 -6.505 1.00 0.00 C ATOM 790 SD MET A 57 -6.774 6.977 -5.872 1.00 0.00 S ATOM 791 CE MET A 57 -8.212 7.511 -6.831 1.00 0.00 C ATOM 0 H MET A 57 -4.554 6.969 -7.816 1.00 0.00 H new ATOM 0 HA MET A 57 -3.476 4.261 -7.166 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.442 3.607 -5.976 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.941 5.124 -5.257 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.853 5.279 -7.584 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.494 4.683 -6.065 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.443 8.549 -6.593 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.993 7.422 -7.895 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.068 6.883 -6.583 1.00 0.00 H new ATOM 801 N VAL A 58 -4.665 3.319 -9.143 1.00 0.00 N ATOM 802 CA VAL A 58 -5.215 2.866 -10.453 1.00 0.00 C ATOM 803 C VAL A 58 -5.700 1.415 -10.343 1.00 0.00 C ATOM 804 O VAL A 58 -5.251 0.657 -9.501 1.00 0.00 O ATOM 805 CB VAL A 58 -4.133 2.928 -11.533 1.00 0.00 C ATOM 806 CG1 VAL A 58 -4.754 3.394 -12.851 1.00 0.00 C ATOM 807 CG2 VAL A 58 -3.027 3.904 -11.122 1.00 0.00 C ATOM 0 H VAL A 58 -4.057 2.647 -8.675 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.044 3.522 -10.719 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.702 1.934 -11.657 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.983 3.438 -13.621 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.531 2.693 -13.155 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.191 4.384 -12.718 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.264 3.938 -11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.451 4.899 -10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.577 3.571 -10.187 1.00 0.00 H new ATOM 817 N ASP A 59 -6.601 1.022 -11.205 1.00 0.00 N ATOM 818 CA ASP A 59 -7.116 -0.375 -11.181 1.00 0.00 C ATOM 819 C ASP A 59 -6.727 -1.073 -12.489 1.00 0.00 C ATOM 820 O ASP A 59 -7.006 -0.586 -13.567 1.00 0.00 O ATOM 821 CB ASP A 59 -8.644 -0.354 -11.042 1.00 0.00 C ATOM 822 CG ASP A 59 -9.220 -1.718 -11.433 1.00 0.00 C ATOM 823 OD1 ASP A 59 -8.616 -2.718 -11.081 1.00 0.00 O ATOM 824 OD2 ASP A 59 -10.257 -1.737 -12.077 1.00 0.00 O ATOM 0 H ASP A 59 -7.004 1.616 -11.930 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.686 -0.913 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.922 -0.113 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.065 0.425 -11.678 1.00 0.00 H new ATOM 829 N ASN A 60 -6.072 -2.200 -12.406 1.00 0.00 N ATOM 830 CA ASN A 60 -5.656 -2.910 -13.654 1.00 0.00 C ATOM 831 C ASN A 60 -6.754 -3.868 -14.124 1.00 0.00 C ATOM 832 O ASN A 60 -6.686 -4.404 -15.213 1.00 0.00 O ATOM 833 CB ASN A 60 -4.371 -3.694 -13.387 1.00 0.00 C ATOM 834 CG ASN A 60 -3.237 -3.118 -14.237 1.00 0.00 C ATOM 835 OD1 ASN A 60 -3.182 -3.341 -15.430 1.00 0.00 O ATOM 836 ND2 ASN A 60 -2.323 -2.379 -13.669 1.00 0.00 N ATOM 0 H ASN A 60 -5.807 -2.659 -11.534 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.484 -2.171 -14.436 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.112 -3.639 -12.330 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.519 -4.747 -13.624 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.563 -1.989 -14.227 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.369 -2.191 -12.667 1.00 0.00 H new ATOM 843 N GLY A 61 -7.767 -4.085 -13.335 1.00 0.00 N ATOM 844 CA GLY A 61 -8.854 -4.999 -13.772 1.00 0.00 C ATOM 845 C GLY A 61 -8.390 -6.454 -13.668 1.00 0.00 C ATOM 846 O GLY A 61 -9.065 -7.361 -14.114 1.00 0.00 O ATOM 0 H GLY A 61 -7.889 -3.671 -12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.739 -4.846 -13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.139 -4.773 -14.799 1.00 0.00 H new ATOM 850 N ASP A 62 -7.248 -6.687 -13.082 1.00 0.00 N ATOM 851 CA ASP A 62 -6.755 -8.087 -12.954 1.00 0.00 C ATOM 852 C ASP A 62 -7.027 -8.593 -11.538 1.00 0.00 C ATOM 853 O ASP A 62 -6.324 -9.442 -11.025 1.00 0.00 O ATOM 854 CB ASP A 62 -5.250 -8.128 -13.230 1.00 0.00 C ATOM 855 CG ASP A 62 -4.570 -6.944 -12.541 1.00 0.00 C ATOM 856 OD1 ASP A 62 -5.227 -6.287 -11.751 1.00 0.00 O ATOM 857 OD2 ASP A 62 -3.403 -6.714 -12.815 1.00 0.00 O ATOM 0 H ASP A 62 -6.637 -5.972 -12.688 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.272 -8.721 -13.674 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.829 -9.065 -12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.066 -8.092 -14.304 1.00 0.00 H new ATOM 862 N GLY A 63 -8.044 -8.081 -10.898 1.00 0.00 N ATOM 863 CA GLY A 63 -8.353 -8.536 -9.513 1.00 0.00 C ATOM 864 C GLY A 63 -7.336 -7.934 -8.540 1.00 0.00 C ATOM 865 O GLY A 63 -7.363 -8.192 -7.344 1.00 0.00 O ATOM 0 H GLY A 63 -8.672 -7.370 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.362 -8.232 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.322 -9.624 -9.461 1.00 0.00 H new ATOM 869 N THR A 64 -6.438 -7.132 -9.046 1.00 0.00 N ATOM 870 CA THR A 64 -5.413 -6.503 -8.174 1.00 0.00 C ATOM 871 C THR A 64 -5.313 -5.018 -8.511 1.00 0.00 C ATOM 872 O THR A 64 -5.526 -4.615 -9.637 1.00 0.00 O ATOM 873 CB THR A 64 -4.059 -7.160 -8.422 1.00 0.00 C ATOM 874 OG1 THR A 64 -3.836 -7.271 -9.822 1.00 0.00 O ATOM 875 CG2 THR A 64 -4.034 -8.550 -7.788 1.00 0.00 C ATOM 0 H THR A 64 -6.373 -6.886 -10.034 1.00 0.00 H new ATOM 0 HA THR A 64 -5.696 -6.631 -7.129 1.00 0.00 H new ATOM 0 HB THR A 64 -3.275 -6.549 -7.975 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.220 -6.493 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.065 -9.015 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.201 -8.463 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.819 -9.165 -8.229 1.00 0.00 H new ATOM 883 N TYR A 65 -4.999 -4.199 -7.548 1.00 0.00 N ATOM 884 CA TYR A 65 -4.899 -2.743 -7.832 1.00 0.00 C ATOM 885 C TYR A 65 -3.490 -2.239 -7.542 1.00 0.00 C ATOM 886 O TYR A 65 -2.766 -2.803 -6.746 1.00 0.00 O ATOM 887 CB TYR A 65 -5.920 -2.006 -6.977 1.00 0.00 C ATOM 888 CG TYR A 65 -7.280 -2.456 -7.426 1.00 0.00 C ATOM 889 CD1 TYR A 65 -7.682 -3.778 -7.210 1.00 0.00 C ATOM 890 CD2 TYR A 65 -8.123 -1.567 -8.093 1.00 0.00 C ATOM 891 CE1 TYR A 65 -8.929 -4.209 -7.657 1.00 0.00 C ATOM 892 CE2 TYR A 65 -9.367 -1.997 -8.546 1.00 0.00 C ATOM 893 CZ TYR A 65 -9.775 -3.317 -8.329 1.00 0.00 C ATOM 894 OH TYR A 65 -11.006 -3.737 -8.783 1.00 0.00 O ATOM 0 H TYR A 65 -4.809 -4.472 -6.584 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.107 -2.559 -8.886 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.770 -2.229 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.813 -0.928 -7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.026 -4.465 -6.697 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.811 -0.546 -8.258 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.243 -5.228 -7.486 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.018 -1.310 -9.066 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.463 -2.992 -9.225 1.00 0.00 H new ATOM 904 N ASP A 66 -3.088 -1.183 -8.196 1.00 0.00 N ATOM 905 CA ASP A 66 -1.720 -0.649 -7.970 1.00 0.00 C ATOM 906 C ASP A 66 -1.814 0.822 -7.580 1.00 0.00 C ATOM 907 O ASP A 66 -2.435 1.616 -8.257 1.00 0.00 O ATOM 908 CB ASP A 66 -0.900 -0.787 -9.255 1.00 0.00 C ATOM 909 CG ASP A 66 -1.333 -2.048 -10.004 1.00 0.00 C ATOM 910 OD1 ASP A 66 -2.486 -2.115 -10.397 1.00 0.00 O ATOM 911 OD2 ASP A 66 -0.504 -2.928 -10.171 1.00 0.00 O ATOM 0 H ASP A 66 -3.649 -0.669 -8.876 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.235 -1.209 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.043 0.090 -9.886 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.162 -0.839 -9.017 1.00 0.00 H new ATOM 916 N VAL A 67 -1.204 1.194 -6.493 1.00 0.00 N ATOM 917 CA VAL A 67 -1.262 2.612 -6.068 1.00 0.00 C ATOM 918 C VAL A 67 0.179 3.138 -5.961 1.00 0.00 C ATOM 919 O VAL A 67 1.088 2.385 -5.665 1.00 0.00 O ATOM 920 CB VAL A 67 -1.999 2.691 -4.726 1.00 0.00 C ATOM 921 CG1 VAL A 67 -3.170 1.708 -4.736 1.00 0.00 C ATOM 922 CG2 VAL A 67 -1.070 2.316 -3.595 1.00 0.00 C ATOM 0 H VAL A 67 -0.669 0.577 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.803 3.227 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.356 3.711 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.697 1.761 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.854 1.966 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.794 0.696 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.607 2.376 -2.648 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.709 1.298 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.223 3.002 -3.577 1.00 0.00 H new ATOM 932 N GLU A 68 0.420 4.402 -6.237 1.00 0.00 N ATOM 933 CA GLU A 68 1.837 4.891 -6.180 1.00 0.00 C ATOM 934 C GLU A 68 1.937 6.400 -5.944 1.00 0.00 C ATOM 935 O GLU A 68 1.466 7.190 -6.720 1.00 0.00 O ATOM 936 CB GLU A 68 2.513 4.612 -7.521 1.00 0.00 C ATOM 937 CG GLU A 68 1.936 3.336 -8.143 1.00 0.00 C ATOM 938 CD GLU A 68 2.612 3.069 -9.488 1.00 0.00 C ATOM 939 OE1 GLU A 68 2.186 3.655 -10.470 1.00 0.00 O ATOM 940 OE2 GLU A 68 3.542 2.280 -9.514 1.00 0.00 O ATOM 0 H GLU A 68 -0.281 5.097 -6.492 1.00 0.00 H new ATOM 0 HA GLU A 68 2.313 4.370 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.363 5.455 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.588 4.504 -7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.091 2.491 -7.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.860 3.441 -8.280 1.00 0.00 H new ATOM 947 N PHE A 69 2.640 6.802 -4.931 1.00 0.00 N ATOM 948 CA PHE A 69 2.847 8.266 -4.699 1.00 0.00 C ATOM 949 C PHE A 69 4.353 8.495 -4.476 1.00 0.00 C ATOM 950 O PHE A 69 5.079 7.584 -4.101 1.00 0.00 O ATOM 951 CB PHE A 69 2.034 8.779 -3.493 1.00 0.00 C ATOM 952 CG PHE A 69 2.583 8.218 -2.222 1.00 0.00 C ATOM 953 CD1 PHE A 69 2.529 6.844 -1.983 1.00 0.00 C ATOM 954 CD2 PHE A 69 3.132 9.080 -1.272 1.00 0.00 C ATOM 955 CE1 PHE A 69 3.028 6.334 -0.785 1.00 0.00 C ATOM 956 CE2 PHE A 69 3.630 8.569 -0.077 1.00 0.00 C ATOM 957 CZ PHE A 69 3.573 7.190 0.162 1.00 0.00 C ATOM 0 H PHE A 69 3.084 6.187 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 69 2.495 8.824 -5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.065 9.868 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 69 0.988 8.493 -3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.104 6.180 -2.721 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.170 10.142 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.990 5.272 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.058 9.231 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.956 6.790 1.089 1.00 0.00 H new ATOM 967 N GLU A 70 4.850 9.679 -4.736 1.00 0.00 N ATOM 968 CA GLU A 70 6.316 9.918 -4.557 1.00 0.00 C ATOM 969 C GLU A 70 6.584 11.394 -4.202 1.00 0.00 C ATOM 970 O GLU A 70 6.669 12.231 -5.078 1.00 0.00 O ATOM 971 CB GLU A 70 7.032 9.571 -5.865 1.00 0.00 C ATOM 972 CG GLU A 70 8.489 10.033 -5.795 1.00 0.00 C ATOM 973 CD GLU A 70 9.326 9.214 -6.780 1.00 0.00 C ATOM 974 OE1 GLU A 70 9.306 7.999 -6.677 1.00 0.00 O ATOM 975 OE2 GLU A 70 9.970 9.817 -7.623 1.00 0.00 O ATOM 0 H GLU A 70 4.312 10.482 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 70 6.686 9.294 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.990 8.496 -6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.529 10.050 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.558 11.094 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.874 9.910 -4.783 1.00 0.00 H new ATOM 982 N PRO A 71 6.709 11.663 -2.923 1.00 0.00 N ATOM 983 CA PRO A 71 6.970 13.029 -2.405 1.00 0.00 C ATOM 984 C PRO A 71 8.461 13.403 -2.515 1.00 0.00 C ATOM 985 O PRO A 71 9.268 12.640 -3.008 1.00 0.00 O ATOM 986 CB PRO A 71 6.555 12.930 -0.934 1.00 0.00 C ATOM 987 CG PRO A 71 6.636 11.430 -0.556 1.00 0.00 C ATOM 988 CD PRO A 71 6.589 10.635 -1.873 1.00 0.00 C ATOM 0 HA PRO A 71 6.432 13.796 -2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.215 13.525 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.545 13.313 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.555 11.218 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.807 11.150 0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.402 9.911 -1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.658 10.076 -1.968 1.00 0.00 H new ATOM 996 N LYS A 72 8.824 14.581 -2.053 1.00 0.00 N ATOM 997 CA LYS A 72 10.260 15.020 -2.123 1.00 0.00 C ATOM 998 C LYS A 72 10.653 15.796 -0.855 1.00 0.00 C ATOM 999 O LYS A 72 11.470 16.690 -0.907 1.00 0.00 O ATOM 1000 CB LYS A 72 10.455 15.940 -3.324 1.00 0.00 C ATOM 1001 CG LYS A 72 9.190 16.772 -3.550 1.00 0.00 C ATOM 1002 CD LYS A 72 9.526 17.988 -4.416 1.00 0.00 C ATOM 1003 CE LYS A 72 9.787 19.199 -3.518 1.00 0.00 C ATOM 1004 NZ LYS A 72 8.996 20.362 -4.012 1.00 0.00 N ATOM 0 H LYS A 72 8.188 15.257 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 72 10.883 14.131 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.308 16.597 -3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.677 15.350 -4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.426 16.166 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.779 17.096 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.404 17.780 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.703 18.199 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.511 18.969 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.850 19.442 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.172 21.186 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.280 20.586 -4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.983 20.127 -3.991 1.00 0.00 H new ATOM 1018 N GLU A 73 10.091 15.481 0.280 1.00 0.00 N ATOM 1019 CA GLU A 73 10.467 16.215 1.510 1.00 0.00 C ATOM 1020 C GLU A 73 10.239 15.296 2.708 1.00 0.00 C ATOM 1021 O GLU A 73 10.088 14.101 2.565 1.00 0.00 O ATOM 1022 CB GLU A 73 9.601 17.473 1.633 1.00 0.00 C ATOM 1023 CG GLU A 73 8.130 17.072 1.783 1.00 0.00 C ATOM 1024 CD GLU A 73 7.411 18.094 2.664 1.00 0.00 C ATOM 1025 OE1 GLU A 73 7.982 19.146 2.906 1.00 0.00 O ATOM 1026 OE2 GLU A 73 6.300 17.810 3.082 1.00 0.00 O ATOM 0 H GLU A 73 9.391 14.749 0.404 1.00 0.00 H new ATOM 0 HA GLU A 73 11.515 16.514 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.917 18.062 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.729 18.102 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.654 17.021 0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.056 16.079 2.225 1.00 0.00 H new ATOM 1033 N ALA A 74 10.176 15.845 3.876 1.00 0.00 N ATOM 1034 CA ALA A 74 9.911 15.010 5.077 1.00 0.00 C ATOM 1035 C ALA A 74 8.395 14.969 5.250 1.00 0.00 C ATOM 1036 O ALA A 74 7.754 15.992 5.392 1.00 0.00 O ATOM 1037 CB ALA A 74 10.583 15.634 6.302 1.00 0.00 C ATOM 0 H ALA A 74 10.296 16.841 4.058 1.00 0.00 H new ATOM 0 HA ALA A 74 10.312 14.003 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.385 15.018 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.659 15.694 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.185 16.635 6.465 1.00 0.00 H new ATOM 1043 N GLY A 75 7.804 13.811 5.170 1.00 0.00 N ATOM 1044 CA GLY A 75 6.319 13.741 5.254 1.00 0.00 C ATOM 1045 C GLY A 75 5.860 12.338 5.640 1.00 0.00 C ATOM 1046 O GLY A 75 6.594 11.379 5.548 1.00 0.00 O ATOM 0 H GLY A 75 8.280 12.917 5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.958 14.461 5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.883 14.019 4.294 1.00 0.00 H new ATOM 1050 N ASP A 76 4.641 12.219 6.073 1.00 0.00 N ATOM 1051 CA ASP A 76 4.101 10.893 6.470 1.00 0.00 C ATOM 1052 C ASP A 76 3.027 10.504 5.465 1.00 0.00 C ATOM 1053 O ASP A 76 2.491 11.336 4.761 1.00 0.00 O ATOM 1054 CB ASP A 76 3.490 10.979 7.870 1.00 0.00 C ATOM 1055 CG ASP A 76 2.404 12.057 7.890 1.00 0.00 C ATOM 1056 OD1 ASP A 76 1.842 12.324 6.841 1.00 0.00 O ATOM 1057 OD2 ASP A 76 2.152 12.597 8.955 1.00 0.00 O ATOM 0 H ASP A 76 3.986 12.995 6.170 1.00 0.00 H new ATOM 0 HA ASP A 76 4.897 10.149 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.066 10.016 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.263 11.214 8.602 1.00 0.00 H new ATOM 1062 N TYR A 77 2.741 9.243 5.358 1.00 0.00 N ATOM 1063 CA TYR A 77 1.737 8.807 4.355 1.00 0.00 C ATOM 1064 C TYR A 77 0.497 8.278 5.032 1.00 0.00 C ATOM 1065 O TYR A 77 0.553 7.492 5.952 1.00 0.00 O ATOM 1066 CB TYR A 77 2.272 7.652 3.517 1.00 0.00 C ATOM 1067 CG TYR A 77 3.711 7.856 3.179 1.00 0.00 C ATOM 1068 CD1 TYR A 77 4.179 9.130 2.878 1.00 0.00 C ATOM 1069 CD2 TYR A 77 4.565 6.754 3.122 1.00 0.00 C ATOM 1070 CE1 TYR A 77 5.513 9.310 2.510 1.00 0.00 C ATOM 1071 CE2 TYR A 77 5.898 6.928 2.761 1.00 0.00 C ATOM 1072 CZ TYR A 77 6.377 8.208 2.450 1.00 0.00 C ATOM 1073 OH TYR A 77 7.696 8.382 2.086 1.00 0.00 O ATOM 0 H TYR A 77 3.155 8.498 5.917 1.00 0.00 H new ATOM 0 HA TYR A 77 1.517 9.680 3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.152 6.716 4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.689 7.563 2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.512 9.978 2.929 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.192 5.768 3.358 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.879 10.298 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.563 6.078 2.721 1.00 0.00 H new ATOM 0 HH TYR A 77 7.975 7.644 1.504 1.00 0.00 H new ATOM 1083 N VAL A 78 -0.621 8.660 4.520 1.00 0.00 N ATOM 1084 CA VAL A 78 -1.896 8.145 5.050 1.00 0.00 C ATOM 1085 C VAL A 78 -2.456 7.239 3.972 1.00 0.00 C ATOM 1086 O VAL A 78 -2.458 7.582 2.795 1.00 0.00 O ATOM 1087 CB VAL A 78 -2.855 9.287 5.348 1.00 0.00 C ATOM 1088 CG1 VAL A 78 -2.738 10.343 4.253 1.00 0.00 C ATOM 1089 CG2 VAL A 78 -4.284 8.745 5.406 1.00 0.00 C ATOM 0 H VAL A 78 -0.709 9.317 3.745 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.751 7.607 5.987 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.606 9.740 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.424 11.163 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.717 10.723 4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.989 9.898 3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.974 9.561 5.620 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.541 8.294 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.356 7.993 6.192 1.00 0.00 H new ATOM 1099 N ILE A 79 -2.866 6.068 4.343 1.00 0.00 N ATOM 1100 CA ILE A 79 -3.358 5.113 3.308 1.00 0.00 C ATOM 1101 C ILE A 79 -4.860 4.896 3.376 1.00 0.00 C ATOM 1102 O ILE A 79 -5.513 5.109 4.376 1.00 0.00 O ATOM 1103 CB ILE A 79 -2.647 3.757 3.454 1.00 0.00 C ATOM 1104 CG1 ILE A 79 -1.615 3.803 4.589 1.00 0.00 C ATOM 1105 CG2 ILE A 79 -1.934 3.411 2.146 1.00 0.00 C ATOM 1106 CD1 ILE A 79 -0.518 4.813 4.247 1.00 0.00 C ATOM 0 H ILE A 79 -2.885 5.727 5.304 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.130 5.559 2.340 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.395 2.999 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.101 4.082 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.180 2.815 4.738 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.430 2.450 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.664 3.353 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.199 4.183 1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.213 4.843 5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.025 4.515 3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.960 5.801 4.120 1.00 0.00 H new ATOM 1118 N ASN A 80 -5.397 4.456 2.279 1.00 0.00 N ATOM 1119 CA ASN A 80 -6.842 4.168 2.199 1.00 0.00 C ATOM 1120 C ASN A 80 -7.066 3.110 1.112 1.00 0.00 C ATOM 1121 O ASN A 80 -6.868 3.354 -0.059 1.00 0.00 O ATOM 1122 CB ASN A 80 -7.592 5.440 1.832 1.00 0.00 C ATOM 1123 CG ASN A 80 -6.997 6.631 2.586 1.00 0.00 C ATOM 1124 OD1 ASN A 80 -5.948 7.130 2.229 1.00 0.00 O ATOM 1125 ND2 ASN A 80 -7.628 7.112 3.624 1.00 0.00 N ATOM 0 H ASN A 80 -4.880 4.281 1.417 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.207 3.802 3.159 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.531 5.611 0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.648 5.334 2.078 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.240 7.906 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.509 6.694 3.924 1.00 0.00 H new ATOM 1132 N LEU A 81 -7.497 1.944 1.498 1.00 0.00 N ATOM 1133 CA LEU A 81 -7.765 0.862 0.508 1.00 0.00 C ATOM 1134 C LEU A 81 -9.042 0.168 0.955 1.00 0.00 C ATOM 1135 O LEU A 81 -9.168 -0.229 2.093 1.00 0.00 O ATOM 1136 CB LEU A 81 -6.571 -0.116 0.433 1.00 0.00 C ATOM 1137 CG LEU A 81 -6.927 -1.485 1.017 1.00 0.00 C ATOM 1138 CD1 LEU A 81 -7.844 -2.215 0.049 1.00 0.00 C ATOM 1139 CD2 LEU A 81 -5.660 -2.308 1.203 1.00 0.00 C ATOM 0 H LEU A 81 -7.678 1.690 2.469 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.890 1.264 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.260 -0.232 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.723 0.302 0.975 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.422 -1.350 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.102 -3.192 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.753 -1.633 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.335 -2.345 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.917 -3.282 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.169 -2.443 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.986 -1.789 1.884 1.00 0.00 H new ATOM 1151 N THR A 82 -10.003 0.069 0.089 1.00 0.00 N ATOM 1152 CA THR A 82 -11.305 -0.540 0.494 1.00 0.00 C ATOM 1153 C THR A 82 -11.857 -1.440 -0.606 1.00 0.00 C ATOM 1154 O THR A 82 -11.853 -1.093 -1.771 1.00 0.00 O ATOM 1155 CB THR A 82 -12.286 0.610 0.756 1.00 0.00 C ATOM 1156 OG1 THR A 82 -12.225 1.549 -0.311 1.00 0.00 O ATOM 1157 CG2 THR A 82 -11.913 1.315 2.058 1.00 0.00 C ATOM 0 H THR A 82 -9.950 0.381 -0.881 1.00 0.00 H new ATOM 0 HA THR A 82 -11.165 -1.154 1.384 1.00 0.00 H new ATOM 0 HB THR A 82 -13.295 0.205 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.589 2.408 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.611 2.132 2.242 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.960 0.604 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.901 1.713 1.979 1.00 0.00 H new ATOM 1165 N LEU A 83 -12.358 -2.591 -0.238 1.00 0.00 N ATOM 1166 CA LEU A 83 -12.939 -3.505 -1.279 1.00 0.00 C ATOM 1167 C LEU A 83 -14.265 -4.077 -0.777 1.00 0.00 C ATOM 1168 O LEU A 83 -14.341 -5.228 -0.413 1.00 0.00 O ATOM 1169 CB LEU A 83 -11.963 -4.657 -1.578 1.00 0.00 C ATOM 1170 CG LEU A 83 -12.422 -5.466 -2.813 1.00 0.00 C ATOM 1171 CD1 LEU A 83 -13.442 -6.524 -2.386 1.00 0.00 C ATOM 1172 CD2 LEU A 83 -13.073 -4.537 -3.847 1.00 0.00 C ATOM 0 H LEU A 83 -12.392 -2.938 0.721 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.109 -2.937 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.964 -4.256 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.896 -5.315 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.550 -5.946 -3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -13.764 -7.092 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.985 -7.198 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -14.305 -6.036 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.391 -5.120 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.939 -4.047 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.352 -3.783 -4.164 1.00 0.00 H new ATOM 1184 N ASP A 84 -15.298 -3.262 -0.758 1.00 0.00 N ATOM 1185 CA ASP A 84 -16.660 -3.695 -0.297 1.00 0.00 C ATOM 1186 C ASP A 84 -17.287 -2.556 0.499 1.00 0.00 C ATOM 1187 O ASP A 84 -18.485 -2.495 0.687 1.00 0.00 O ATOM 1188 CB ASP A 84 -16.619 -4.964 0.567 1.00 0.00 C ATOM 1189 CG ASP A 84 -16.616 -6.201 -0.337 1.00 0.00 C ATOM 1190 OD1 ASP A 84 -17.330 -6.190 -1.326 1.00 0.00 O ATOM 1191 OD2 ASP A 84 -15.899 -7.136 -0.024 1.00 0.00 O ATOM 0 H ASP A 84 -15.251 -2.286 -1.052 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.253 -3.933 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.729 -4.959 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.481 -4.990 1.234 1.00 0.00 H new ATOM 1196 N GLY A 85 -16.469 -1.663 0.993 1.00 0.00 N ATOM 1197 CA GLY A 85 -16.992 -0.540 1.806 1.00 0.00 C ATOM 1198 C GLY A 85 -16.159 -0.431 3.086 1.00 0.00 C ATOM 1199 O GLY A 85 -16.375 0.447 3.899 1.00 0.00 O ATOM 0 H GLY A 85 -15.457 -1.669 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.941 0.391 1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -18.041 -0.707 2.051 1.00 0.00 H new ATOM 1203 N ASP A 86 -15.196 -1.305 3.272 1.00 0.00 N ATOM 1204 CA ASP A 86 -14.355 -1.224 4.490 1.00 0.00 C ATOM 1205 C ASP A 86 -12.898 -1.139 4.039 1.00 0.00 C ATOM 1206 O ASP A 86 -12.589 -1.428 2.901 1.00 0.00 O ATOM 1207 CB ASP A 86 -14.561 -2.474 5.347 1.00 0.00 C ATOM 1208 CG ASP A 86 -14.426 -3.720 4.471 1.00 0.00 C ATOM 1209 OD1 ASP A 86 -13.342 -3.944 3.959 1.00 0.00 O ATOM 1210 OD2 ASP A 86 -15.408 -4.430 4.329 1.00 0.00 O ATOM 0 H ASP A 86 -14.964 -2.064 2.631 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.624 -0.351 5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.827 -2.501 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.546 -2.450 5.814 1.00 0.00 H new ATOM 1215 N ASN A 87 -11.995 -0.747 4.892 1.00 0.00 N ATOM 1216 CA ASN A 87 -10.581 -0.655 4.448 1.00 0.00 C ATOM 1217 C ASN A 87 -9.785 -1.797 5.055 1.00 0.00 C ATOM 1218 O ASN A 87 -10.177 -2.386 6.042 1.00 0.00 O ATOM 1219 CB ASN A 87 -9.981 0.685 4.887 1.00 0.00 C ATOM 1220 CG ASN A 87 -11.090 1.733 5.014 1.00 0.00 C ATOM 1221 OD1 ASN A 87 -12.023 1.558 5.771 1.00 0.00 O ATOM 1222 ND2 ASN A 87 -11.026 2.823 4.300 1.00 0.00 N ATOM 0 H ASN A 87 -12.172 -0.490 5.863 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.541 -0.722 3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.467 0.569 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.237 1.016 4.162 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.759 3.528 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.242 2.971 3.664 1.00 0.00 H new ATOM 1229 N VAL A 88 -8.671 -2.122 4.470 1.00 0.00 N ATOM 1230 CA VAL A 88 -7.866 -3.241 5.023 1.00 0.00 C ATOM 1231 C VAL A 88 -7.347 -2.836 6.415 1.00 0.00 C ATOM 1232 O VAL A 88 -7.475 -1.696 6.817 1.00 0.00 O ATOM 1233 CB VAL A 88 -6.698 -3.544 4.085 1.00 0.00 C ATOM 1234 CG1 VAL A 88 -5.788 -4.599 4.715 1.00 0.00 C ATOM 1235 CG2 VAL A 88 -7.252 -4.079 2.763 1.00 0.00 C ATOM 0 H VAL A 88 -8.286 -1.668 3.642 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.479 -4.138 5.113 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.124 -2.634 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.957 -4.811 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.401 -4.226 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.356 -5.513 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.427 -4.299 2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.821 -4.990 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.903 -3.330 2.312 1.00 0.00 H new ATOM 1245 N ASN A 89 -6.798 -3.756 7.172 1.00 0.00 N ATOM 1246 CA ASN A 89 -6.326 -3.403 8.549 1.00 0.00 C ATOM 1247 C ASN A 89 -4.926 -2.780 8.525 1.00 0.00 C ATOM 1248 O ASN A 89 -4.178 -2.887 9.475 1.00 0.00 O ATOM 1249 CB ASN A 89 -6.306 -4.661 9.420 1.00 0.00 C ATOM 1250 CG ASN A 89 -5.270 -5.648 8.879 1.00 0.00 C ATOM 1251 OD1 ASN A 89 -4.513 -5.324 7.986 1.00 0.00 O ATOM 1252 ND2 ASN A 89 -5.205 -6.849 9.387 1.00 0.00 N ATOM 0 H ASN A 89 -6.657 -4.729 6.899 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.016 -2.668 8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.068 -4.397 10.450 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.293 -5.124 9.429 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.518 -7.516 9.034 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.841 -7.121 10.137 1.00 0.00 H new ATOM 1259 N GLY A 90 -4.570 -2.117 7.464 1.00 0.00 N ATOM 1260 CA GLY A 90 -3.220 -1.478 7.408 1.00 0.00 C ATOM 1261 C GLY A 90 -3.278 -0.225 6.529 1.00 0.00 C ATOM 1262 O GLY A 90 -2.277 0.230 6.015 1.00 0.00 O ATOM 0 H GLY A 90 -5.149 -1.988 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -2.890 -1.214 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.490 -2.182 7.007 1.00 0.00 H new ATOM 1266 N PHE A 91 -4.449 0.314 6.323 1.00 0.00 N ATOM 1267 CA PHE A 91 -4.569 1.510 5.441 1.00 0.00 C ATOM 1268 C PHE A 91 -5.030 2.774 6.166 1.00 0.00 C ATOM 1269 O PHE A 91 -4.506 3.828 5.879 1.00 0.00 O ATOM 1270 CB PHE A 91 -5.515 1.191 4.315 1.00 0.00 C ATOM 1271 CG PHE A 91 -4.670 0.677 3.200 1.00 0.00 C ATOM 1272 CD1 PHE A 91 -4.182 -0.624 3.255 1.00 0.00 C ATOM 1273 CD2 PHE A 91 -4.342 1.511 2.137 1.00 0.00 C ATOM 1274 CE1 PHE A 91 -3.370 -1.100 2.233 1.00 0.00 C ATOM 1275 CE2 PHE A 91 -3.533 1.042 1.108 1.00 0.00 C ATOM 1276 CZ PHE A 91 -3.045 -0.270 1.153 1.00 0.00 C ATOM 0 H PHE A 91 -5.325 -0.020 6.725 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.569 1.730 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.250 0.447 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.069 2.078 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.433 -1.262 4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.716 2.524 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.990 -2.110 2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.282 1.686 0.278 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.419 -0.641 0.355 1.00 0.00 H new ATOM 1286 N PRO A 92 -5.945 2.687 7.102 1.00 0.00 N ATOM 1287 CA PRO A 92 -6.380 3.884 7.821 1.00 0.00 C ATOM 1288 C PRO A 92 -5.263 4.311 8.766 1.00 0.00 C ATOM 1289 O PRO A 92 -5.442 5.143 9.635 1.00 0.00 O ATOM 1290 CB PRO A 92 -7.647 3.443 8.557 1.00 0.00 C ATOM 1291 CG PRO A 92 -7.575 1.905 8.655 1.00 0.00 C ATOM 1292 CD PRO A 92 -6.595 1.443 7.559 1.00 0.00 C ATOM 0 HA PRO A 92 -6.591 4.745 7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.698 3.894 9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -8.540 3.757 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.229 1.595 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.559 1.460 8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.866 0.734 7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.118 0.944 6.743 1.00 0.00 H new ATOM 1300 N LYS A 93 -4.091 3.755 8.577 1.00 0.00 N ATOM 1301 CA LYS A 93 -2.942 4.121 9.417 1.00 0.00 C ATOM 1302 C LYS A 93 -2.083 5.097 8.633 1.00 0.00 C ATOM 1303 O LYS A 93 -2.368 5.424 7.486 1.00 0.00 O ATOM 1304 CB LYS A 93 -2.142 2.857 9.743 1.00 0.00 C ATOM 1305 CG LYS A 93 -1.209 3.126 10.925 1.00 0.00 C ATOM 1306 CD LYS A 93 -1.107 1.867 11.790 1.00 0.00 C ATOM 1307 CE LYS A 93 -0.967 2.268 13.259 1.00 0.00 C ATOM 1308 NZ LYS A 93 0.063 3.337 13.385 1.00 0.00 N ATOM 0 H LYS A 93 -3.894 3.055 7.862 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.269 4.581 10.350 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -2.820 2.038 9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.562 2.548 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.221 3.414 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.587 3.959 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.993 1.247 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.249 1.269 11.482 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.923 2.622 13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.684 1.403 13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.513 3.277 14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.784 3.214 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.388 4.268 13.277 1.00 0.00 H new ATOM 1322 N THR A 94 -1.047 5.579 9.234 1.00 0.00 N ATOM 1323 CA THR A 94 -0.189 6.545 8.530 1.00 0.00 C ATOM 1324 C THR A 94 1.265 6.131 8.645 1.00 0.00 C ATOM 1325 O THR A 94 1.761 5.838 9.715 1.00 0.00 O ATOM 1326 CB THR A 94 -0.379 7.924 9.154 1.00 0.00 C ATOM 1327 OG1 THR A 94 -1.765 8.230 9.198 1.00 0.00 O ATOM 1328 CG2 THR A 94 0.356 8.963 8.315 1.00 0.00 C ATOM 0 H THR A 94 -0.758 5.345 10.184 1.00 0.00 H new ATOM 0 HA THR A 94 -0.464 6.573 7.476 1.00 0.00 H new ATOM 0 HB THR A 94 0.024 7.932 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.892 9.115 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.222 9.950 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.418 8.720 8.284 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.046 8.963 7.302 1.00 0.00 H new ATOM 1336 N VAL A 95 1.961 6.131 7.551 1.00 0.00 N ATOM 1337 CA VAL A 95 3.399 5.765 7.613 1.00 0.00 C ATOM 1338 C VAL A 95 4.201 7.065 7.662 1.00 0.00 C ATOM 1339 O VAL A 95 3.715 8.108 7.273 1.00 0.00 O ATOM 1340 CB VAL A 95 3.790 4.899 6.407 1.00 0.00 C ATOM 1341 CG1 VAL A 95 5.287 4.978 6.150 1.00 0.00 C ATOM 1342 CG2 VAL A 95 3.452 3.443 6.702 1.00 0.00 C ATOM 0 H VAL A 95 1.604 6.365 6.625 1.00 0.00 H new ATOM 0 HA VAL A 95 3.610 5.170 8.501 1.00 0.00 H new ATOM 0 HB VAL A 95 3.245 5.264 5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.542 4.357 5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.567 6.012 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.826 4.622 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.728 2.825 5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.003 3.113 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.382 3.348 6.887 1.00 0.00 H new ATOM 1352 N THR A 96 5.389 7.044 8.199 1.00 0.00 N ATOM 1353 CA THR A 96 6.136 8.327 8.325 1.00 0.00 C ATOM 1354 C THR A 96 7.469 8.329 7.569 1.00 0.00 C ATOM 1355 O THR A 96 8.156 7.333 7.453 1.00 0.00 O ATOM 1356 CB THR A 96 6.412 8.594 9.805 1.00 0.00 C ATOM 1357 OG1 THR A 96 5.189 8.545 10.527 1.00 0.00 O ATOM 1358 CG2 THR A 96 7.046 9.976 9.964 1.00 0.00 C ATOM 0 H THR A 96 5.867 6.214 8.549 1.00 0.00 H new ATOM 0 HA THR A 96 5.513 9.104 7.882 1.00 0.00 H new ATOM 0 HB THR A 96 7.094 7.837 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.363 8.714 11.477 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.243 10.167 11.019 1.00 0.00 H new ATOM 0 HG22 THR A 96 7.983 10.013 9.408 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.365 10.735 9.579 1.00 0.00 H new ATOM 1366 N VAL A 97 7.835 9.493 7.106 1.00 0.00 N ATOM 1367 CA VAL A 97 9.127 9.705 6.395 1.00 0.00 C ATOM 1368 C VAL A 97 9.701 11.035 6.888 1.00 0.00 C ATOM 1369 O VAL A 97 9.004 12.029 6.960 1.00 0.00 O ATOM 1370 CB VAL A 97 8.908 9.747 4.876 1.00 0.00 C ATOM 1371 CG1 VAL A 97 10.016 10.548 4.223 1.00 0.00 C ATOM 1372 CG2 VAL A 97 8.985 8.337 4.308 1.00 0.00 C ATOM 0 H VAL A 97 7.269 10.337 7.196 1.00 0.00 H new ATOM 0 HA VAL A 97 9.816 8.886 6.601 1.00 0.00 H new ATOM 0 HB VAL A 97 7.934 10.195 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.858 10.576 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.011 11.564 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.977 10.081 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.829 8.370 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.966 7.912 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.215 7.717 4.767 1.00 0.00 H new ATOM 1382 N LYS A 98 10.951 11.063 7.259 1.00 0.00 N ATOM 1383 CA LYS A 98 11.524 12.337 7.784 1.00 0.00 C ATOM 1384 C LYS A 98 12.754 12.803 6.984 1.00 0.00 C ATOM 1385 O LYS A 98 12.723 13.869 6.402 1.00 0.00 O ATOM 1386 CB LYS A 98 11.910 12.152 9.253 1.00 0.00 C ATOM 1387 CG LYS A 98 11.011 13.021 10.135 1.00 0.00 C ATOM 1388 CD LYS A 98 11.800 14.235 10.630 1.00 0.00 C ATOM 1389 CE LYS A 98 11.203 14.731 11.948 1.00 0.00 C ATOM 1390 NZ LYS A 98 10.292 15.879 11.680 1.00 0.00 N ATOM 0 H LYS A 98 11.594 10.272 7.223 1.00 0.00 H new ATOM 0 HA LYS A 98 10.759 13.107 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.810 11.104 9.536 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.955 12.424 9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.137 13.347 9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.646 12.441 10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.847 13.968 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.771 15.029 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.656 13.925 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.999 15.035 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.886 16.216 12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.827 16.649 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.526 15.574 11.046 1.00 0.00 H new ATOM 1404 N PRO A 99 13.816 12.032 7.004 1.00 0.00 N ATOM 1405 CA PRO A 99 15.062 12.416 6.315 1.00 0.00 C ATOM 1406 C PRO A 99 14.977 12.240 4.795 1.00 0.00 C ATOM 1407 O PRO A 99 15.399 11.238 4.257 1.00 0.00 O ATOM 1408 CB PRO A 99 16.111 11.475 6.910 1.00 0.00 C ATOM 1409 CG PRO A 99 15.340 10.259 7.466 1.00 0.00 C ATOM 1410 CD PRO A 99 13.890 10.724 7.693 1.00 0.00 C ATOM 0 HA PRO A 99 15.291 13.472 6.460 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.830 11.165 6.151 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.675 11.972 7.700 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.374 9.425 6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.786 9.911 8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.175 10.014 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.664 10.820 8.755 1.00 0.00 H new ATOM 1418 N ALA A 100 14.470 13.227 4.100 1.00 0.00 N ATOM 1419 CA ALA A 100 14.405 13.140 2.609 1.00 0.00 C ATOM 1420 C ALA A 100 15.511 14.033 2.023 1.00 0.00 C ATOM 1421 O ALA A 100 15.353 15.236 1.954 1.00 0.00 O ATOM 1422 CB ALA A 100 13.045 13.639 2.109 1.00 0.00 C ATOM 0 H ALA A 100 14.099 14.089 4.500 1.00 0.00 H new ATOM 0 HA ALA A 100 14.539 12.104 2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.010 13.571 1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.252 13.025 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.904 14.676 2.412 1.00 0.00 H new TER 1428 ALA A 100