USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 51 ASN : amide:sc= -8.15! C(o=-21!,f=-21!) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -7.05 K(o=-21,f=-25!) USER MOD Set 1.3: A 78 HIS : no HD1:sc= -6.28! C(o=-21!,f=-23!) USER MOD Set 2.1: A 57 SER OG : rot 180:sc= -0.0571 USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 153:sc= -0.092 (180deg=-0.543) USER MOD Single : A 5 THR OG1 : rot 55:sc= 0.151 USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00564) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= -0.583 (180deg=-1.34!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= 0.503 (180deg=-1.52!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -1.06 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -4.04! USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.0057) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.0371 (180deg=-0.22) USER MOD Single : A 87 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -14.510 18.538 -5.099 1.00 0.00 N ATOM 2 CA LEU A 1 -13.721 17.442 -5.723 1.00 0.00 C ATOM 3 C LEU A 1 -12.223 17.667 -5.539 1.00 0.00 C ATOM 4 O LEU A 1 -11.602 18.420 -6.289 1.00 0.00 O ATOM 5 CB LEU A 1 -14.065 17.382 -7.213 1.00 0.00 C ATOM 6 CG LEU A 1 -13.742 18.653 -8.005 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.516 18.441 -8.882 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.935 19.076 -8.849 1.00 0.00 C ATOM 0 H1 LEU A 1 -15.421 18.633 -5.591 1.00 0.00 H new ATOM 0 H2 LEU A 1 -14.679 18.317 -4.097 1.00 0.00 H new ATOM 0 H3 LEU A 1 -13.982 19.431 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 1 -13.974 16.499 -5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -13.527 16.547 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -15.129 17.168 -7.316 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.523 19.451 -7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.303 19.355 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -11.660 18.188 -8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -12.706 17.628 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -14.686 19.980 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -15.187 18.279 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.789 19.272 -8.200 1.00 0.00 H new ATOM 22 N PHE A 2 -11.648 17.008 -4.539 1.00 0.00 N ATOM 23 CA PHE A 2 -10.222 17.137 -4.260 1.00 0.00 C ATOM 24 C PHE A 2 -9.621 15.792 -3.854 1.00 0.00 C ATOM 25 O PHE A 2 -8.628 15.741 -3.126 1.00 0.00 O ATOM 26 CB PHE A 2 -9.986 18.185 -3.165 1.00 0.00 C ATOM 27 CG PHE A 2 -10.134 17.657 -1.762 1.00 0.00 C ATOM 28 CD1 PHE A 2 -11.305 17.034 -1.360 1.00 0.00 C ATOM 29 CD2 PHE A 2 -9.100 17.785 -0.849 1.00 0.00 C ATOM 30 CE1 PHE A 2 -11.441 16.548 -0.073 1.00 0.00 C ATOM 31 CE2 PHE A 2 -9.231 17.301 0.439 1.00 0.00 C ATOM 32 CZ PHE A 2 -10.402 16.681 0.828 1.00 0.00 C ATOM 0 H PHE A 2 -12.146 16.380 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.724 17.467 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.984 18.597 -3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.687 19.007 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.120 16.927 -2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.181 18.268 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.359 16.065 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -8.417 17.408 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.505 16.301 1.834 1.00 0.00 H new ATOM 42 N ILE A 3 -10.227 14.707 -4.327 1.00 0.00 N ATOM 43 CA ILE A 3 -9.750 13.367 -4.011 1.00 0.00 C ATOM 44 C ILE A 3 -8.484 13.038 -4.795 1.00 0.00 C ATOM 45 O ILE A 3 -8.359 13.392 -5.967 1.00 0.00 O ATOM 46 CB ILE A 3 -10.819 12.300 -4.315 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.167 12.709 -3.717 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.381 10.945 -3.778 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.117 12.941 -2.222 1.00 0.00 C ATOM 0 H ILE A 3 -11.049 14.731 -4.930 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.530 13.354 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.935 12.220 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.512 13.620 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.902 11.933 -3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.146 10.201 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.443 10.653 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.240 11.010 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.106 13.228 -1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.802 12.025 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.406 13.738 -2.001 1.00 0.00 H new ATOM 61 N ALA A 4 -7.545 12.364 -4.139 1.00 0.00 N ATOM 62 CA ALA A 4 -6.288 11.993 -4.775 1.00 0.00 C ATOM 63 C ALA A 4 -6.132 10.478 -4.843 1.00 0.00 C ATOM 64 O ALA A 4 -5.642 9.851 -3.904 1.00 0.00 O ATOM 65 CB ALA A 4 -5.116 12.612 -4.028 1.00 0.00 C ATOM 0 H ALA A 4 -7.631 12.064 -3.168 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.299 12.377 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.183 12.327 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.212 13.698 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.112 12.256 -2.998 1.00 0.00 H new ATOM 71 N THR A 5 -6.549 9.897 -5.964 1.00 0.00 N ATOM 72 CA THR A 5 -6.451 8.455 -6.160 1.00 0.00 C ATOM 73 C THR A 5 -5.219 8.109 -6.987 1.00 0.00 C ATOM 74 O THR A 5 -5.324 7.770 -8.166 1.00 0.00 O ATOM 75 CB THR A 5 -7.712 7.923 -6.846 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.025 8.695 -7.992 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.928 7.923 -5.946 1.00 0.00 C ATOM 0 H THR A 5 -6.958 10.403 -6.750 1.00 0.00 H new ATOM 0 HA THR A 5 -6.357 7.982 -5.182 1.00 0.00 H new ATOM 0 HB THR A 5 -7.480 6.893 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.249 8.724 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.786 7.534 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.737 7.294 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.138 8.941 -5.618 1.00 0.00 H new ATOM 85 N LEU A 6 -4.050 8.200 -6.361 1.00 0.00 N ATOM 86 CA LEU A 6 -2.796 7.899 -7.041 1.00 0.00 C ATOM 87 C LEU A 6 -2.601 6.395 -7.182 1.00 0.00 C ATOM 88 O LEU A 6 -3.116 5.613 -6.383 1.00 0.00 O ATOM 89 CB LEU A 6 -1.619 8.513 -6.277 1.00 0.00 C ATOM 90 CG LEU A 6 -0.571 9.206 -7.150 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.179 10.401 -7.867 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.622 9.636 -6.309 1.00 0.00 C ATOM 0 H LEU A 6 -3.945 8.479 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.838 8.334 -8.040 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.008 9.236 -5.560 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.129 7.727 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.224 8.496 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.419 10.881 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.001 10.066 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.554 11.114 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.358 10.127 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.291 10.329 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.073 8.760 -5.842 1.00 0.00 H new ATOM 104 N LYS A 7 -1.854 5.995 -8.205 1.00 0.00 N ATOM 105 CA LYS A 7 -1.592 4.582 -8.451 1.00 0.00 C ATOM 106 C LYS A 7 -0.302 4.396 -9.243 1.00 0.00 C ATOM 107 O LYS A 7 -0.332 4.119 -10.442 1.00 0.00 O ATOM 108 CB LYS A 7 -2.762 3.950 -9.204 1.00 0.00 C ATOM 109 CG LYS A 7 -3.139 4.691 -10.476 1.00 0.00 C ATOM 110 CD LYS A 7 -4.254 5.694 -10.229 1.00 0.00 C ATOM 111 CE LYS A 7 -5.046 5.971 -11.495 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.007 4.874 -11.799 1.00 0.00 N ATOM 0 H LYS A 7 -1.420 6.628 -8.876 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.478 4.086 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.508 2.920 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.629 3.912 -8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.264 5.208 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.454 3.975 -11.235 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.922 5.313 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.830 6.625 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.589 6.910 -11.386 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.360 6.095 -12.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.210 4.863 -12.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.593 3.962 -11.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.890 5.030 -11.272 1.00 0.00 H new ATOM 126 N GLY A 8 0.831 4.551 -8.564 1.00 0.00 N ATOM 127 CA GLY A 8 2.116 4.395 -9.220 1.00 0.00 C ATOM 128 C GLY A 8 2.374 2.967 -9.659 1.00 0.00 C ATOM 129 O GLY A 8 2.627 2.093 -8.829 1.00 0.00 O ATOM 0 H GLY A 8 0.882 4.782 -7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.159 5.052 -10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.908 4.712 -8.541 1.00 0.00 H new ATOM 133 N ILE A 9 2.308 2.729 -10.964 1.00 0.00 N ATOM 134 CA ILE A 9 2.534 1.394 -11.510 1.00 0.00 C ATOM 135 C ILE A 9 4.010 1.013 -11.454 1.00 0.00 C ATOM 136 O ILE A 9 4.734 1.139 -12.441 1.00 0.00 O ATOM 137 CB ILE A 9 2.042 1.285 -12.967 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.527 2.480 -13.790 1.00 0.00 C ATOM 139 CG2 ILE A 9 0.524 1.189 -13.007 1.00 0.00 C ATOM 140 CD1 ILE A 9 2.429 2.264 -15.285 1.00 0.00 C ATOM 0 H ILE A 9 2.100 3.442 -11.664 1.00 0.00 H new ATOM 0 HA ILE A 9 1.961 0.705 -10.890 1.00 0.00 H new ATOM 0 HB ILE A 9 2.458 0.378 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.942 3.359 -13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.563 2.694 -13.529 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.191 1.113 -14.042 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.201 0.306 -12.456 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.091 2.080 -12.552 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.790 3.151 -15.805 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.037 1.405 -15.569 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.390 2.080 -15.559 1.00 0.00 H new ATOM 152 N PHE A 10 4.446 0.543 -10.291 1.00 0.00 N ATOM 153 CA PHE A 10 5.832 0.135 -10.096 1.00 0.00 C ATOM 154 C PHE A 10 6.127 -1.145 -10.878 1.00 0.00 C ATOM 155 O PHE A 10 5.325 -2.078 -10.879 1.00 0.00 O ATOM 156 CB PHE A 10 6.102 -0.069 -8.601 1.00 0.00 C ATOM 157 CG PHE A 10 6.670 1.142 -7.905 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.573 2.406 -8.473 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.302 1.016 -6.676 1.00 0.00 C ATOM 160 CE1 PHE A 10 7.094 3.514 -7.831 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.825 2.122 -6.030 1.00 0.00 C ATOM 162 CZ PHE A 10 7.721 3.372 -6.609 1.00 0.00 C ATOM 0 H PHE A 10 3.857 0.435 -9.466 1.00 0.00 H new ATOM 0 HA PHE A 10 6.491 0.918 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.171 -0.353 -8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.794 -0.902 -8.478 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.084 2.525 -9.429 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.387 0.042 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.011 4.490 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.314 2.008 -5.074 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.129 4.237 -6.107 1.00 0.00 H new ATOM 172 N THR A 11 7.269 -1.178 -11.565 1.00 0.00 N ATOM 173 CA THR A 11 7.633 -2.344 -12.368 1.00 0.00 C ATOM 174 C THR A 11 9.100 -2.709 -12.243 1.00 0.00 C ATOM 175 O THR A 11 9.971 -1.851 -12.084 1.00 0.00 O ATOM 176 CB THR A 11 7.283 -2.100 -13.837 1.00 0.00 C ATOM 177 OG1 THR A 11 7.927 -0.934 -14.319 1.00 0.00 O ATOM 178 CG2 THR A 11 5.797 -1.936 -14.080 1.00 0.00 C ATOM 0 H THR A 11 7.951 -0.420 -11.582 1.00 0.00 H new ATOM 0 HA THR A 11 7.058 -3.186 -11.982 1.00 0.00 H new ATOM 0 HB THR A 11 7.626 -2.989 -14.366 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.692 -0.796 -15.260 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.619 -1.766 -15.142 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.275 -2.839 -13.764 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.427 -1.085 -13.509 1.00 0.00 H new ATOM 186 N LEU A 12 9.347 -4.015 -12.325 1.00 0.00 N ATOM 187 CA LEU A 12 10.686 -4.573 -12.238 1.00 0.00 C ATOM 188 C LEU A 12 11.515 -3.886 -11.154 1.00 0.00 C ATOM 189 O LEU A 12 10.981 -3.201 -10.284 1.00 0.00 O ATOM 190 CB LEU A 12 11.384 -4.483 -13.601 1.00 0.00 C ATOM 191 CG LEU A 12 11.667 -3.064 -14.105 1.00 0.00 C ATOM 192 CD1 LEU A 12 13.035 -2.994 -14.767 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.583 -2.617 -15.075 1.00 0.00 C ATOM 0 H LEU A 12 8.617 -4.716 -12.454 1.00 0.00 H new ATOM 0 HA LEU A 12 10.596 -5.622 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.328 -5.024 -13.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.768 -4.996 -14.340 1.00 0.00 H new ATOM 0 HG LEU A 12 11.665 -2.389 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 12 13.218 -1.978 -15.118 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.803 -3.272 -14.045 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.066 -3.681 -15.612 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.800 -1.607 -15.423 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.555 -3.296 -15.927 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.617 -2.627 -14.571 1.00 0.00 H new ATOM 205 N LYS A 13 12.818 -4.094 -11.216 1.00 0.00 N ATOM 206 CA LYS A 13 13.743 -3.515 -10.247 1.00 0.00 C ATOM 207 C LYS A 13 13.838 -2.001 -10.408 1.00 0.00 C ATOM 208 O LYS A 13 14.230 -1.294 -9.479 1.00 0.00 O ATOM 209 CB LYS A 13 15.130 -4.148 -10.387 1.00 0.00 C ATOM 210 CG LYS A 13 15.205 -5.571 -9.859 1.00 0.00 C ATOM 211 CD LYS A 13 14.843 -5.641 -8.381 1.00 0.00 C ATOM 212 CE LYS A 13 13.728 -6.644 -8.123 1.00 0.00 C ATOM 213 NZ LYS A 13 12.596 -6.481 -9.076 1.00 0.00 N ATOM 0 H LYS A 13 13.267 -4.664 -11.933 1.00 0.00 H new ATOM 0 HA LYS A 13 13.356 -3.726 -9.250 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.418 -4.144 -11.438 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.856 -3.533 -9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.529 -6.208 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.212 -5.962 -10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.724 -5.919 -7.803 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.533 -4.655 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.126 -7.656 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.363 -6.525 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.765 -6.995 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.364 -5.472 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.867 -6.863 -10.005 1.00 0.00 H new ATOM 227 N ASP A 14 13.468 -1.506 -11.586 1.00 0.00 N ATOM 228 CA ASP A 14 13.501 -0.072 -11.858 1.00 0.00 C ATOM 229 C ASP A 14 12.200 0.600 -11.412 1.00 0.00 C ATOM 230 O ASP A 14 11.918 1.739 -11.783 1.00 0.00 O ATOM 231 CB ASP A 14 13.741 0.179 -13.350 1.00 0.00 C ATOM 232 CG ASP A 14 15.115 0.762 -13.623 1.00 0.00 C ATOM 233 OD1 ASP A 14 15.655 1.457 -12.737 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.653 0.523 -14.726 1.00 0.00 O ATOM 0 H ASP A 14 13.142 -2.076 -12.367 1.00 0.00 H new ATOM 0 HA ASP A 14 14.322 0.363 -11.289 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.632 -0.758 -13.896 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.978 0.859 -13.729 1.00 0.00 H new ATOM 239 N LEU A 15 11.411 -0.118 -10.611 1.00 0.00 N ATOM 240 CA LEU A 15 10.143 0.393 -10.108 1.00 0.00 C ATOM 241 C LEU A 15 10.299 1.555 -9.106 1.00 0.00 C ATOM 242 O LEU A 15 9.336 2.286 -8.879 1.00 0.00 O ATOM 243 CB LEU A 15 9.323 -0.749 -9.482 1.00 0.00 C ATOM 244 CG LEU A 15 9.567 -1.041 -7.995 1.00 0.00 C ATOM 245 CD1 LEU A 15 8.610 -2.119 -7.504 1.00 0.00 C ATOM 246 CD2 LEU A 15 11.006 -1.470 -7.750 1.00 0.00 C ATOM 0 H LEU A 15 11.634 -1.062 -10.297 1.00 0.00 H new ATOM 0 HA LEU A 15 9.613 0.803 -10.967 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.266 -0.520 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.525 -1.660 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 15 9.385 -0.122 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.795 -2.316 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.582 -1.781 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.767 -3.033 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.150 -1.670 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.219 -2.373 -8.322 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.681 -0.674 -8.064 1.00 0.00 H new ATOM 258 N PRO A 16 11.485 1.766 -8.482 1.00 0.00 N ATOM 259 CA PRO A 16 11.668 2.860 -7.524 1.00 0.00 C ATOM 260 C PRO A 16 11.884 4.207 -8.209 1.00 0.00 C ATOM 261 O PRO A 16 12.861 4.907 -7.939 1.00 0.00 O ATOM 262 CB PRO A 16 12.921 2.459 -6.731 1.00 0.00 C ATOM 263 CG PRO A 16 13.367 1.142 -7.281 1.00 0.00 C ATOM 264 CD PRO A 16 12.724 0.995 -8.630 1.00 0.00 C ATOM 0 HA PRO A 16 10.783 2.993 -6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.704 3.209 -6.838 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.698 2.380 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.453 1.106 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.071 0.327 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.355 1.392 -9.425 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.525 -0.049 -8.872 1.00 0.00 H new ATOM 272 N GLU A 17 10.967 4.567 -9.093 1.00 0.00 N ATOM 273 CA GLU A 17 11.057 5.833 -9.813 1.00 0.00 C ATOM 274 C GLU A 17 10.717 6.998 -8.897 1.00 0.00 C ATOM 275 O GLU A 17 9.597 7.509 -8.910 1.00 0.00 O ATOM 276 CB GLU A 17 10.119 5.829 -11.015 1.00 0.00 C ATOM 277 CG GLU A 17 10.353 6.986 -11.973 1.00 0.00 C ATOM 278 CD GLU A 17 10.461 6.534 -13.416 1.00 0.00 C ATOM 279 OE1 GLU A 17 11.462 5.868 -13.756 1.00 0.00 O ATOM 280 OE2 GLU A 17 9.547 6.847 -14.208 1.00 0.00 O ATOM 0 H GLU A 17 10.151 4.003 -9.331 1.00 0.00 H new ATOM 0 HA GLU A 17 12.082 5.951 -10.163 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.239 4.890 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.089 5.864 -10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.536 7.701 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.267 7.508 -11.690 1.00 0.00 H new ATOM 287 N GLU A 18 11.693 7.410 -8.103 1.00 0.00 N ATOM 288 CA GLU A 18 11.508 8.518 -7.172 1.00 0.00 C ATOM 289 C GLU A 18 12.788 8.820 -6.404 1.00 0.00 C ATOM 290 O GLU A 18 13.052 9.966 -6.039 1.00 0.00 O ATOM 291 CB GLU A 18 10.374 8.210 -6.192 1.00 0.00 C ATOM 292 CG GLU A 18 9.684 9.451 -5.648 1.00 0.00 C ATOM 293 CD GLU A 18 9.299 9.311 -4.189 1.00 0.00 C ATOM 294 OE1 GLU A 18 10.210 9.177 -3.344 1.00 0.00 O ATOM 295 OE2 GLU A 18 8.087 9.336 -3.889 1.00 0.00 O ATOM 0 H GLU A 18 12.624 6.994 -8.083 1.00 0.00 H new ATOM 0 HA GLU A 18 11.247 9.399 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.635 7.583 -6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.773 7.632 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.344 10.310 -5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.790 9.653 -6.238 1.00 0.00 H new ATOM 302 N PHE A 19 13.573 7.784 -6.158 1.00 0.00 N ATOM 303 CA PHE A 19 14.825 7.933 -5.427 1.00 0.00 C ATOM 304 C PHE A 19 15.694 6.683 -5.560 1.00 0.00 C ATOM 305 O PHE A 19 16.641 6.656 -6.347 1.00 0.00 O ATOM 306 CB PHE A 19 14.536 8.225 -3.951 1.00 0.00 C ATOM 307 CG PHE A 19 15.760 8.243 -3.080 1.00 0.00 C ATOM 308 CD1 PHE A 19 16.895 8.936 -3.468 1.00 0.00 C ATOM 309 CD2 PHE A 19 15.774 7.566 -1.871 1.00 0.00 C ATOM 310 CE1 PHE A 19 18.022 8.954 -2.668 1.00 0.00 C ATOM 311 CE2 PHE A 19 16.897 7.579 -1.066 1.00 0.00 C ATOM 312 CZ PHE A 19 18.023 8.274 -1.465 1.00 0.00 C ATOM 0 H PHE A 19 13.367 6.830 -6.453 1.00 0.00 H new ATOM 0 HA PHE A 19 15.375 8.770 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.034 9.189 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.844 7.473 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.899 9.469 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.897 7.022 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.900 9.498 -2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 19 16.895 7.047 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.902 8.286 -0.838 1.00 0.00 H new ATOM 322 N ARG A 20 15.371 5.654 -4.782 1.00 0.00 N ATOM 323 CA ARG A 20 16.128 4.407 -4.812 1.00 0.00 C ATOM 324 C ARG A 20 15.235 3.217 -4.465 1.00 0.00 C ATOM 325 O ARG A 20 14.081 3.390 -4.073 1.00 0.00 O ATOM 326 CB ARG A 20 17.306 4.482 -3.837 1.00 0.00 C ATOM 327 CG ARG A 20 18.645 4.702 -4.521 1.00 0.00 C ATOM 328 CD ARG A 20 19.746 3.872 -3.881 1.00 0.00 C ATOM 329 NE ARG A 20 19.701 3.930 -2.422 1.00 0.00 N ATOM 330 CZ ARG A 20 20.341 3.075 -1.627 1.00 0.00 C ATOM 331 NH1 ARG A 20 21.071 2.095 -2.146 1.00 0.00 N ATOM 332 NH2 ARG A 20 20.249 3.199 -0.311 1.00 0.00 N ATOM 0 H ARG A 20 14.592 5.659 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 20 16.510 4.264 -5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.131 5.292 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.349 3.558 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.561 4.444 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.910 5.758 -4.471 1.00 0.00 H new ATOM 0 HD2 ARG A 20 19.653 2.835 -4.205 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.716 4.228 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 20 19.147 4.668 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 20 21.144 1.994 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.559 1.443 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.688 3.949 0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.739 2.544 0.298 1.00 0.00 H new ATOM 346 N PRO A 21 15.763 1.987 -4.606 1.00 0.00 N ATOM 347 CA PRO A 21 15.012 0.764 -4.306 1.00 0.00 C ATOM 348 C PRO A 21 14.256 0.847 -2.983 1.00 0.00 C ATOM 349 O PRO A 21 14.799 0.529 -1.925 1.00 0.00 O ATOM 350 CB PRO A 21 16.105 -0.300 -4.233 1.00 0.00 C ATOM 351 CG PRO A 21 17.158 0.188 -5.166 1.00 0.00 C ATOM 352 CD PRO A 21 17.135 1.690 -5.069 1.00 0.00 C ATOM 0 HA PRO A 21 14.243 0.563 -5.052 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.490 -0.405 -3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.729 -1.278 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.136 -0.206 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.958 -0.140 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 21 17.883 2.058 -4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 21 17.343 2.157 -6.031 1.00 0.00 H new ATOM 360 N PHE A 22 12.998 1.270 -3.053 1.00 0.00 N ATOM 361 CA PHE A 22 12.168 1.387 -1.862 1.00 0.00 C ATOM 362 C PHE A 22 11.501 0.055 -1.540 1.00 0.00 C ATOM 363 O PHE A 22 11.923 -0.653 -0.629 1.00 0.00 O ATOM 364 CB PHE A 22 11.109 2.475 -2.052 1.00 0.00 C ATOM 365 CG PHE A 22 10.261 2.702 -0.833 1.00 0.00 C ATOM 366 CD1 PHE A 22 10.847 2.871 0.412 1.00 0.00 C ATOM 367 CD2 PHE A 22 8.880 2.743 -0.932 1.00 0.00 C ATOM 368 CE1 PHE A 22 10.070 3.079 1.536 1.00 0.00 C ATOM 369 CE2 PHE A 22 8.098 2.950 0.189 1.00 0.00 C ATOM 370 CZ PHE A 22 8.694 3.118 1.425 1.00 0.00 C ATOM 0 H PHE A 22 12.533 1.537 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 22 12.809 1.666 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.603 3.409 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 22 10.465 2.202 -2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.923 2.840 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.409 2.612 -1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.538 3.211 2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.022 2.980 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.085 3.279 2.302 1.00 0.00 H new ATOM 380 N VAL A 23 10.468 -0.293 -2.301 1.00 0.00 N ATOM 381 CA VAL A 23 9.760 -1.551 -2.090 1.00 0.00 C ATOM 382 C VAL A 23 10.680 -2.747 -2.311 1.00 0.00 C ATOM 383 O VAL A 23 10.351 -3.871 -1.928 1.00 0.00 O ATOM 384 CB VAL A 23 8.541 -1.677 -3.024 1.00 0.00 C ATOM 385 CG1 VAL A 23 7.522 -0.588 -2.723 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.975 -1.625 -4.482 1.00 0.00 C ATOM 0 H VAL A 23 10.104 0.275 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 23 9.416 -1.547 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 23 8.069 -2.643 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.668 -0.693 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.186 -0.679 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.980 0.390 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.100 -1.716 -5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.474 -0.676 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.662 -2.446 -4.687 1.00 0.00 H new ATOM 396 N ASP A 24 11.837 -2.504 -2.926 1.00 0.00 N ATOM 397 CA ASP A 24 12.802 -3.565 -3.189 1.00 0.00 C ATOM 398 C ASP A 24 13.025 -4.421 -1.946 1.00 0.00 C ATOM 399 O ASP A 24 13.345 -5.606 -2.050 1.00 0.00 O ATOM 400 CB ASP A 24 14.130 -2.970 -3.656 1.00 0.00 C ATOM 401 CG ASP A 24 14.819 -3.834 -4.696 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.668 -5.073 -4.634 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.508 -3.272 -5.573 1.00 0.00 O ATOM 0 H ASP A 24 12.127 -1.581 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 24 12.398 -4.200 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.954 -1.978 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.790 -2.844 -2.798 1.00 0.00 H new ATOM 408 N TYR A 25 12.847 -3.821 -0.769 1.00 0.00 N ATOM 409 CA TYR A 25 13.026 -4.547 0.481 1.00 0.00 C ATOM 410 C TYR A 25 12.029 -5.691 0.577 1.00 0.00 C ATOM 411 O TYR A 25 12.334 -6.746 1.127 1.00 0.00 O ATOM 412 CB TYR A 25 12.895 -3.608 1.691 1.00 0.00 C ATOM 413 CG TYR A 25 11.494 -3.076 1.930 1.00 0.00 C ATOM 414 CD1 TYR A 25 10.458 -3.916 2.322 1.00 0.00 C ATOM 415 CD2 TYR A 25 11.213 -1.725 1.767 1.00 0.00 C ATOM 416 CE1 TYR A 25 9.186 -3.426 2.544 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.943 -1.227 1.987 1.00 0.00 C ATOM 418 CZ TYR A 25 8.933 -2.082 2.374 1.00 0.00 C ATOM 419 OH TYR A 25 7.668 -1.589 2.596 1.00 0.00 O ATOM 0 H TYR A 25 12.581 -2.842 -0.658 1.00 0.00 H new ATOM 0 HA TYR A 25 14.033 -4.963 0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.225 -4.139 2.584 1.00 0.00 H new ATOM 0 HB3 TYR A 25 13.571 -2.764 1.554 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.651 -4.970 2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.001 -1.052 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.393 -4.093 2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.743 -0.174 1.857 1.00 0.00 H new ATOM 0 HH TYR A 25 7.660 -0.623 2.433 1.00 0.00 H new ATOM 429 N LYS A 26 10.839 -5.485 0.022 1.00 0.00 N ATOM 430 CA LYS A 26 9.814 -6.519 0.034 1.00 0.00 C ATOM 431 C LYS A 26 10.095 -7.536 -1.063 1.00 0.00 C ATOM 432 O LYS A 26 9.754 -8.713 -0.939 1.00 0.00 O ATOM 433 CB LYS A 26 8.425 -5.906 -0.151 1.00 0.00 C ATOM 434 CG LYS A 26 7.293 -6.829 0.267 1.00 0.00 C ATOM 435 CD LYS A 26 5.980 -6.074 0.399 1.00 0.00 C ATOM 436 CE LYS A 26 5.045 -6.753 1.387 1.00 0.00 C ATOM 437 NZ LYS A 26 3.616 -6.593 1.001 1.00 0.00 N ATOM 0 H LYS A 26 10.563 -4.618 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 26 9.836 -7.023 1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.364 -4.984 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.293 -5.634 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.183 -7.627 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.540 -7.302 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.177 -5.053 0.726 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.497 -6.009 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.288 -7.814 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.201 -6.334 2.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.012 -7.070 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.376 -5.582 0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.460 -7.015 0.063 1.00 0.00 H new ATOM 451 N ALA A 27 10.736 -7.075 -2.130 1.00 0.00 N ATOM 452 CA ALA A 27 11.087 -7.942 -3.242 1.00 0.00 C ATOM 453 C ALA A 27 12.305 -8.791 -2.889 1.00 0.00 C ATOM 454 O ALA A 27 12.531 -9.844 -3.483 1.00 0.00 O ATOM 455 CB ALA A 27 11.354 -7.118 -4.491 1.00 0.00 C ATOM 0 H ALA A 27 11.023 -6.103 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 27 10.248 -8.609 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.616 -7.781 -5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.460 -6.551 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.178 -6.430 -4.304 1.00 0.00 H new ATOM 461 N GLY A 28 13.086 -8.325 -1.914 1.00 0.00 N ATOM 462 CA GLY A 28 14.266 -9.057 -1.499 1.00 0.00 C ATOM 463 C GLY A 28 14.479 -9.005 0.003 1.00 0.00 C ATOM 464 O GLY A 28 15.616 -8.941 0.471 1.00 0.00 O ATOM 0 H GLY A 28 12.920 -7.455 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.176 -10.096 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.141 -8.646 -2.002 1.00 0.00 H new ATOM 468 N LEU A 29 13.382 -9.025 0.760 1.00 0.00 N ATOM 469 CA LEU A 29 13.453 -8.974 2.219 1.00 0.00 C ATOM 470 C LEU A 29 14.469 -9.966 2.777 1.00 0.00 C ATOM 471 O LEU A 29 14.991 -9.779 3.877 1.00 0.00 O ATOM 472 CB LEU A 29 12.075 -9.241 2.827 1.00 0.00 C ATOM 473 CG LEU A 29 11.519 -10.645 2.586 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.578 -11.046 3.711 1.00 0.00 C ATOM 475 CD2 LEU A 29 10.805 -10.711 1.244 1.00 0.00 C ATOM 0 H LEU A 29 12.434 -9.076 0.387 1.00 0.00 H new ATOM 0 HA LEU A 29 13.783 -7.972 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.130 -9.069 3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.370 -8.514 2.423 1.00 0.00 H new ATOM 0 HG LEU A 29 12.352 -11.348 2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.192 -12.048 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.118 -11.037 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.748 -10.341 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.415 -11.717 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.981 -9.997 1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.506 -10.466 0.446 1.00 0.00 H new ATOM 487 N GLU A 30 14.744 -11.014 2.020 1.00 0.00 N ATOM 488 CA GLU A 30 15.698 -12.032 2.448 1.00 0.00 C ATOM 489 C GLU A 30 16.252 -12.813 1.258 1.00 0.00 C ATOM 490 O GLU A 30 15.953 -13.994 1.087 1.00 0.00 O ATOM 491 CB GLU A 30 15.039 -12.991 3.441 1.00 0.00 C ATOM 492 CG GLU A 30 15.972 -13.457 4.548 1.00 0.00 C ATOM 493 CD GLU A 30 15.328 -13.392 5.918 1.00 0.00 C ATOM 494 OE1 GLU A 30 14.226 -13.956 6.083 1.00 0.00 O ATOM 495 OE2 GLU A 30 15.925 -12.777 6.827 1.00 0.00 O ATOM 0 H GLU A 30 14.323 -11.186 1.107 1.00 0.00 H new ATOM 0 HA GLU A 30 16.530 -11.524 2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.175 -12.500 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.667 -13.861 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 16.286 -14.481 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 30 16.871 -12.841 4.544 1.00 0.00 H new ATOM 502 N LYS A 31 17.059 -12.142 0.438 1.00 0.00 N ATOM 503 CA LYS A 31 17.661 -12.763 -0.741 1.00 0.00 C ATOM 504 C LYS A 31 16.615 -13.520 -1.546 1.00 0.00 C ATOM 505 O LYS A 31 16.849 -14.636 -2.008 1.00 0.00 O ATOM 506 CB LYS A 31 18.810 -13.697 -0.340 1.00 0.00 C ATOM 507 CG LYS A 31 18.365 -14.947 0.405 1.00 0.00 C ATOM 508 CD LYS A 31 19.338 -16.097 0.198 1.00 0.00 C ATOM 509 CE LYS A 31 18.611 -17.385 -0.154 1.00 0.00 C ATOM 510 NZ LYS A 31 17.626 -17.182 -1.251 1.00 0.00 N ATOM 0 H LYS A 31 17.312 -11.163 0.570 1.00 0.00 H new ATOM 0 HA LYS A 31 18.068 -11.970 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.351 -13.996 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 31 19.511 -13.145 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 31 18.282 -14.727 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.373 -15.242 0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.038 -15.844 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 31 19.926 -16.245 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 31 19.336 -18.142 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.098 -17.766 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.666 -17.361 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.689 -16.204 -1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.833 -17.839 -2.030 1.00 0.00 H new ATOM 524 N LYS A 32 15.458 -12.893 -1.705 1.00 0.00 N ATOM 525 CA LYS A 32 14.356 -13.492 -2.454 1.00 0.00 C ATOM 526 C LYS A 32 14.612 -13.460 -3.965 1.00 0.00 C ATOM 527 O LYS A 32 13.751 -13.858 -4.749 1.00 0.00 O ATOM 528 CB LYS A 32 13.044 -12.770 -2.136 1.00 0.00 C ATOM 529 CG LYS A 32 11.812 -13.489 -2.665 1.00 0.00 C ATOM 530 CD LYS A 32 10.529 -12.900 -2.094 1.00 0.00 C ATOM 531 CE LYS A 32 9.575 -12.458 -3.194 1.00 0.00 C ATOM 532 NZ LYS A 32 8.432 -13.400 -3.350 1.00 0.00 N ATOM 0 H LYS A 32 15.255 -11.968 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 32 14.282 -14.535 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.953 -12.657 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.079 -11.766 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.791 -13.423 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.871 -14.547 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.038 -13.640 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.771 -12.048 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.196 -11.462 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.117 -12.385 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.806 -13.063 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.792 -14.345 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.899 -13.450 -2.458 1.00 0.00 H new ATOM 546 N LYS A 33 15.795 -12.990 -4.370 1.00 0.00 N ATOM 547 CA LYS A 33 16.155 -12.913 -5.785 1.00 0.00 C ATOM 548 C LYS A 33 15.468 -11.733 -6.463 1.00 0.00 C ATOM 549 O LYS A 33 14.263 -11.531 -6.312 1.00 0.00 O ATOM 550 CB LYS A 33 15.795 -14.215 -6.509 1.00 0.00 C ATOM 551 CG LYS A 33 16.129 -15.466 -5.712 1.00 0.00 C ATOM 552 CD LYS A 33 16.204 -16.693 -6.606 1.00 0.00 C ATOM 553 CE LYS A 33 14.825 -17.277 -6.870 1.00 0.00 C ATOM 554 NZ LYS A 33 14.291 -16.865 -8.196 1.00 0.00 N ATOM 0 H LYS A 33 16.520 -12.657 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 33 17.233 -12.765 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.729 -14.212 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.323 -14.249 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.081 -15.329 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.373 -15.621 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.674 -16.426 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.836 -17.447 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.876 -18.365 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.139 -16.955 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.350 -17.284 -8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.217 -15.828 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.932 -17.194 -8.946 1.00 0.00 H new ATOM 568 N LEU A 34 16.244 -10.955 -7.211 1.00 0.00 N ATOM 569 CA LEU A 34 15.717 -9.792 -7.914 1.00 0.00 C ATOM 570 C LEU A 34 15.475 -10.109 -9.388 1.00 0.00 C ATOM 571 O LEU A 34 16.418 -10.263 -10.163 1.00 0.00 O ATOM 572 CB LEU A 34 16.683 -8.612 -7.787 1.00 0.00 C ATOM 573 CG LEU A 34 16.992 -8.177 -6.352 1.00 0.00 C ATOM 574 CD1 LEU A 34 15.707 -7.958 -5.569 1.00 0.00 C ATOM 575 CD2 LEU A 34 17.870 -9.209 -5.660 1.00 0.00 C ATOM 0 H LEU A 34 17.243 -11.110 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 34 14.764 -9.524 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.619 -8.874 -8.280 1.00 0.00 H new ATOM 0 HB3 LEU A 34 16.266 -7.761 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 34 17.534 -7.232 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.949 -7.649 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 34 15.114 -7.182 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.136 -8.886 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.080 -8.884 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.353 -10.168 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.807 -9.315 -6.207 1.00 0.00 H new ATOM 587 N SER A 35 14.203 -10.203 -9.765 1.00 0.00 N ATOM 588 CA SER A 35 13.836 -10.501 -11.145 1.00 0.00 C ATOM 589 C SER A 35 13.704 -9.219 -11.962 1.00 0.00 C ATOM 590 O SER A 35 13.805 -8.114 -11.428 1.00 0.00 O ATOM 591 CB SER A 35 12.523 -11.287 -11.186 1.00 0.00 C ATOM 592 OG SER A 35 12.721 -12.579 -11.734 1.00 0.00 O ATOM 0 H SER A 35 13.411 -10.077 -9.135 1.00 0.00 H new ATOM 0 HA SER A 35 14.628 -11.108 -11.584 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.116 -11.374 -10.179 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.789 -10.744 -11.781 1.00 0.00 H new ATOM 0 HG SER A 35 11.869 -13.062 -11.748 1.00 0.00 H new ATOM 598 N ASP A 36 13.481 -9.379 -13.263 1.00 0.00 N ATOM 599 CA ASP A 36 13.336 -8.239 -14.162 1.00 0.00 C ATOM 600 C ASP A 36 11.891 -8.088 -14.628 1.00 0.00 C ATOM 601 O ASP A 36 11.451 -6.990 -14.969 1.00 0.00 O ATOM 602 CB ASP A 36 14.257 -8.402 -15.372 1.00 0.00 C ATOM 603 CG ASP A 36 14.656 -7.072 -15.980 1.00 0.00 C ATOM 604 OD1 ASP A 36 13.829 -6.477 -16.702 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.797 -6.627 -15.735 1.00 0.00 O ATOM 0 H ASP A 36 13.397 -10.288 -13.718 1.00 0.00 H new ATOM 0 HA ASP A 36 13.616 -7.339 -13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.154 -8.944 -15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.756 -9.008 -16.127 1.00 0.00 H new ATOM 610 N ASP A 37 11.158 -9.197 -14.643 1.00 0.00 N ATOM 611 CA ASP A 37 9.763 -9.183 -15.069 1.00 0.00 C ATOM 612 C ASP A 37 8.831 -8.851 -13.906 1.00 0.00 C ATOM 613 O ASP A 37 7.665 -8.512 -14.114 1.00 0.00 O ATOM 614 CB ASP A 37 9.380 -10.535 -15.675 1.00 0.00 C ATOM 615 CG ASP A 37 8.365 -10.400 -16.793 1.00 0.00 C ATOM 616 OD1 ASP A 37 7.425 -9.591 -16.648 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.511 -11.102 -17.816 1.00 0.00 O ATOM 0 H ASP A 37 11.506 -10.115 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 37 9.653 -8.406 -15.825 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.275 -11.025 -16.058 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.973 -11.178 -14.894 1.00 0.00 H new ATOM 622 N ASP A 38 9.346 -8.948 -12.682 1.00 0.00 N ATOM 623 CA ASP A 38 8.551 -8.653 -11.492 1.00 0.00 C ATOM 624 C ASP A 38 7.912 -7.272 -11.592 1.00 0.00 C ATOM 625 O ASP A 38 8.387 -6.409 -12.327 1.00 0.00 O ATOM 626 CB ASP A 38 9.424 -8.738 -10.238 1.00 0.00 C ATOM 627 CG ASP A 38 9.096 -9.948 -9.387 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.223 -11.082 -9.894 1.00 0.00 O ATOM 629 OD2 ASP A 38 8.709 -9.762 -8.213 1.00 0.00 O ATOM 0 H ASP A 38 10.308 -9.228 -12.489 1.00 0.00 H new ATOM 0 HA ASP A 38 7.755 -9.395 -11.423 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.473 -8.777 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.292 -7.833 -9.645 1.00 0.00 H new ATOM 634 N GLU A 39 6.830 -7.073 -10.847 1.00 0.00 N ATOM 635 CA GLU A 39 6.124 -5.798 -10.851 1.00 0.00 C ATOM 636 C GLU A 39 5.424 -5.565 -9.516 1.00 0.00 C ATOM 637 O GLU A 39 4.990 -6.511 -8.859 1.00 0.00 O ATOM 638 CB GLU A 39 5.102 -5.760 -11.991 1.00 0.00 C ATOM 639 CG GLU A 39 5.690 -5.316 -13.322 1.00 0.00 C ATOM 640 CD GLU A 39 5.608 -6.390 -14.388 1.00 0.00 C ATOM 641 OE1 GLU A 39 4.688 -7.232 -14.313 1.00 0.00 O ATOM 642 OE2 GLU A 39 6.464 -6.392 -15.298 1.00 0.00 O ATOM 0 H GLU A 39 6.423 -7.779 -10.233 1.00 0.00 H new ATOM 0 HA GLU A 39 6.855 -5.004 -11.003 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.665 -6.752 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.291 -5.085 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.164 -4.426 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.733 -5.033 -13.177 1.00 0.00 H new ATOM 649 N ILE A 40 5.319 -4.300 -9.120 1.00 0.00 N ATOM 650 CA ILE A 40 4.670 -3.944 -7.862 1.00 0.00 C ATOM 651 C ILE A 40 3.668 -2.811 -8.064 1.00 0.00 C ATOM 652 O ILE A 40 3.857 -1.946 -8.918 1.00 0.00 O ATOM 653 CB ILE A 40 5.697 -3.517 -6.796 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.863 -4.505 -6.753 1.00 0.00 C ATOM 655 CG2 ILE A 40 5.033 -3.411 -5.432 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.459 -5.899 -6.319 1.00 0.00 C ATOM 0 H ILE A 40 5.674 -3.505 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 40 4.148 -4.835 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 40 6.089 -2.536 -7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.320 -4.559 -7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.624 -4.127 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.772 -3.108 -4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.235 -2.670 -5.472 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.615 -4.379 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.336 -6.546 -6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.029 -5.858 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.720 -6.297 -7.015 1.00 0.00 H new ATOM 668 N ALA A 41 2.601 -2.824 -7.271 1.00 0.00 N ATOM 669 CA ALA A 41 1.570 -1.797 -7.365 1.00 0.00 C ATOM 670 C ALA A 41 1.453 -1.012 -6.062 1.00 0.00 C ATOM 671 O ALA A 41 1.089 -1.564 -5.024 1.00 0.00 O ATOM 672 CB ALA A 41 0.232 -2.426 -7.726 1.00 0.00 C ATOM 0 H ALA A 41 2.428 -3.533 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 41 1.858 -1.100 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.529 -1.649 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.316 -2.935 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.051 -3.146 -6.958 1.00 0.00 H new ATOM 678 N ILE A 42 1.760 0.279 -6.126 1.00 0.00 N ATOM 679 CA ILE A 42 1.685 1.142 -4.954 1.00 0.00 C ATOM 680 C ILE A 42 0.517 2.115 -5.067 1.00 0.00 C ATOM 681 O ILE A 42 0.599 3.119 -5.774 1.00 0.00 O ATOM 682 CB ILE A 42 2.990 1.941 -4.758 1.00 0.00 C ATOM 683 CG1 ILE A 42 4.199 1.003 -4.796 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.948 2.711 -3.447 1.00 0.00 C ATOM 685 CD1 ILE A 42 4.249 0.034 -3.636 1.00 0.00 C ATOM 0 H ILE A 42 2.063 0.751 -6.978 1.00 0.00 H new ATOM 0 HA ILE A 42 1.534 0.494 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 42 3.086 2.658 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.182 0.440 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.111 1.599 -4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.876 3.270 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.106 3.403 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.832 2.012 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.132 -0.599 -3.728 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.297 0.590 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.354 -0.588 -3.643 1.00 0.00 H new ATOM 697 N ILE A 43 -0.571 1.810 -4.367 1.00 0.00 N ATOM 698 CA ILE A 43 -1.759 2.656 -4.392 1.00 0.00 C ATOM 699 C ILE A 43 -1.800 3.583 -3.183 1.00 0.00 C ATOM 700 O ILE A 43 -1.411 3.198 -2.080 1.00 0.00 O ATOM 701 CB ILE A 43 -3.050 1.814 -4.420 1.00 0.00 C ATOM 702 CG1 ILE A 43 -2.911 0.651 -5.404 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.240 2.685 -4.789 1.00 0.00 C ATOM 704 CD1 ILE A 43 -2.588 1.088 -6.816 1.00 0.00 C ATOM 0 H ILE A 43 -0.655 0.983 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.702 3.252 -5.303 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.217 1.402 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.128 -0.020 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.840 0.080 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.145 2.077 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.351 3.481 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.079 3.122 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.504 0.211 -7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.383 1.735 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.644 1.633 -6.821 1.00 0.00 H new ATOM 716 N SER A 44 -2.274 4.807 -3.399 1.00 0.00 N ATOM 717 CA SER A 44 -2.367 5.790 -2.326 1.00 0.00 C ATOM 718 C SER A 44 -3.662 6.590 -2.425 1.00 0.00 C ATOM 719 O SER A 44 -4.170 6.840 -3.518 1.00 0.00 O ATOM 720 CB SER A 44 -1.167 6.737 -2.367 1.00 0.00 C ATOM 721 OG SER A 44 -0.686 6.896 -3.690 1.00 0.00 O ATOM 0 H SER A 44 -2.599 5.141 -4.306 1.00 0.00 H new ATOM 0 HA SER A 44 -2.366 5.252 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.452 7.708 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.371 6.348 -1.732 1.00 0.00 H new ATOM 0 HG SER A 44 0.080 7.507 -3.688 1.00 0.00 H new ATOM 727 N ILE A 45 -4.188 6.991 -1.272 1.00 0.00 N ATOM 728 CA ILE A 45 -5.423 7.766 -1.217 1.00 0.00 C ATOM 729 C ILE A 45 -5.484 8.590 0.064 1.00 0.00 C ATOM 730 O ILE A 45 -4.726 8.347 1.004 1.00 0.00 O ATOM 731 CB ILE A 45 -6.677 6.866 -1.302 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.378 5.468 -0.752 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.166 6.777 -2.738 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.546 4.509 -0.842 1.00 0.00 C ATOM 0 H ILE A 45 -3.777 6.791 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.417 8.429 -2.082 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.463 7.313 -0.693 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.533 5.047 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.073 5.556 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.049 6.140 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.419 7.774 -3.099 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.381 6.353 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.255 3.542 -0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.387 4.905 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.838 4.389 -1.885 1.00 0.00 H new ATOM 746 N LYS A 46 -6.381 9.568 0.093 1.00 0.00 N ATOM 747 CA LYS A 46 -6.534 10.432 1.258 1.00 0.00 C ATOM 748 C LYS A 46 -7.120 9.665 2.439 1.00 0.00 C ATOM 749 O LYS A 46 -8.250 9.918 2.860 1.00 0.00 O ATOM 750 CB LYS A 46 -7.423 11.631 0.916 1.00 0.00 C ATOM 751 CG LYS A 46 -7.563 12.633 2.052 1.00 0.00 C ATOM 752 CD LYS A 46 -6.212 13.169 2.502 1.00 0.00 C ATOM 753 CE LYS A 46 -5.546 13.996 1.412 1.00 0.00 C ATOM 754 NZ LYS A 46 -5.559 15.451 1.733 1.00 0.00 N ATOM 0 H LYS A 46 -7.014 9.783 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.545 10.791 1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.012 12.139 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.413 11.270 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.194 13.462 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.065 12.159 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.342 13.780 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.563 12.337 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.517 13.662 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.059 13.829 0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.096 15.980 0.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.542 15.776 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.048 15.615 2.624 1.00 0.00 H new ATOM 768 N GLY A 47 -6.343 8.729 2.975 1.00 0.00 N ATOM 769 CA GLY A 47 -6.797 7.943 4.106 1.00 0.00 C ATOM 770 C GLY A 47 -6.226 8.437 5.422 1.00 0.00 C ATOM 771 O GLY A 47 -6.287 7.736 6.433 1.00 0.00 O ATOM 0 H GLY A 47 -5.405 8.501 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.886 7.973 4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.513 6.901 3.958 1.00 0.00 H new ATOM 775 N THR A 48 -5.666 9.648 5.412 1.00 0.00 N ATOM 776 CA THR A 48 -5.077 10.241 6.612 1.00 0.00 C ATOM 777 C THR A 48 -3.717 9.622 6.935 1.00 0.00 C ATOM 778 O THR A 48 -3.096 9.970 7.940 1.00 0.00 O ATOM 779 CB THR A 48 -6.019 10.077 7.808 1.00 0.00 C ATOM 780 OG1 THR A 48 -7.372 10.143 7.395 1.00 0.00 O ATOM 781 CG2 THR A 48 -5.814 11.125 8.881 1.00 0.00 C ATOM 0 H THR A 48 -5.608 10.238 4.582 1.00 0.00 H new ATOM 0 HA THR A 48 -4.929 11.302 6.413 1.00 0.00 H new ATOM 0 HB THR A 48 -5.782 9.100 8.228 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.957 10.034 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.513 10.950 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.793 11.065 9.258 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.988 12.115 8.460 1.00 0.00 H new ATOM 789 N GLN A 49 -3.254 8.706 6.083 1.00 0.00 N ATOM 790 CA GLN A 49 -1.967 8.050 6.291 1.00 0.00 C ATOM 791 C GLN A 49 -1.684 7.041 5.178 1.00 0.00 C ATOM 792 O GLN A 49 -1.557 5.843 5.432 1.00 0.00 O ATOM 793 CB GLN A 49 -1.944 7.346 7.652 1.00 0.00 C ATOM 794 CG GLN A 49 -0.650 6.599 7.935 1.00 0.00 C ATOM 795 CD GLN A 49 0.158 7.233 9.050 1.00 0.00 C ATOM 796 OE1 GLN A 49 0.029 6.857 10.216 1.00 0.00 O ATOM 797 NE2 GLN A 49 0.993 8.202 8.699 1.00 0.00 N ATOM 0 H GLN A 49 -3.751 8.404 5.245 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.190 8.814 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.104 8.086 8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.776 6.644 7.701 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.881 5.567 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.047 6.567 7.027 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.068 8.481 7.721 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.560 8.668 9.407 1.00 0.00 H new ATOM 806 N SER A 50 -1.589 7.533 3.945 1.00 0.00 N ATOM 807 CA SER A 50 -1.324 6.670 2.799 1.00 0.00 C ATOM 808 C SER A 50 -2.485 5.706 2.573 1.00 0.00 C ATOM 809 O SER A 50 -3.579 5.908 3.098 1.00 0.00 O ATOM 810 CB SER A 50 -0.023 5.889 3.007 1.00 0.00 C ATOM 811 OG SER A 50 1.001 6.728 3.514 1.00 0.00 O ATOM 0 H SER A 50 -1.691 8.522 3.715 1.00 0.00 H new ATOM 0 HA SER A 50 -1.218 7.299 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.197 5.064 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.297 5.451 2.062 1.00 0.00 H new ATOM 0 HG SER A 50 1.820 6.205 3.639 1.00 0.00 H new ATOM 817 N ASN A 51 -2.245 4.659 1.787 1.00 0.00 N ATOM 818 CA ASN A 51 -3.280 3.675 1.498 1.00 0.00 C ATOM 819 C ASN A 51 -2.775 2.249 1.727 1.00 0.00 C ATOM 820 O ASN A 51 -2.655 1.805 2.869 1.00 0.00 O ATOM 821 CB ASN A 51 -3.787 3.852 0.067 1.00 0.00 C ATOM 822 CG ASN A 51 -4.915 2.897 -0.270 1.00 0.00 C ATOM 823 OD1 ASN A 51 -5.516 2.290 0.617 1.00 0.00 O ATOM 824 ND2 ASN A 51 -5.207 2.756 -1.557 1.00 0.00 N ATOM 0 H ASN A 51 -1.347 4.472 1.342 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.109 3.840 2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.130 4.878 -0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.963 3.696 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.955 2.125 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.683 3.279 -2.259 1.00 0.00 H new ATOM 831 N HIS A 52 -2.489 1.531 0.644 1.00 0.00 N ATOM 832 CA HIS A 52 -2.010 0.159 0.744 1.00 0.00 C ATOM 833 C HIS A 52 -1.128 -0.204 -0.446 1.00 0.00 C ATOM 834 O HIS A 52 -1.045 0.543 -1.421 1.00 0.00 O ATOM 835 CB HIS A 52 -3.194 -0.806 0.831 1.00 0.00 C ATOM 836 CG HIS A 52 -4.131 -0.714 -0.333 1.00 0.00 C ATOM 837 ND1 HIS A 52 -5.440 -0.298 -0.212 1.00 0.00 N ATOM 838 CD2 HIS A 52 -3.945 -0.986 -1.647 1.00 0.00 C ATOM 839 CE1 HIS A 52 -6.018 -0.319 -1.400 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.133 -0.732 -2.287 1.00 0.00 N ATOM 0 H HIS A 52 -2.581 1.878 -0.311 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.410 0.075 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.816 -1.826 0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.748 -0.606 1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.032 -1.337 -2.106 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.041 -0.045 -1.609 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.304 -0.844 -3.286 1.00 0.00 H new ATOM 849 N VAL A 53 -0.473 -1.357 -0.355 1.00 0.00 N ATOM 850 CA VAL A 53 0.404 -1.826 -1.422 1.00 0.00 C ATOM 851 C VAL A 53 0.007 -3.223 -1.887 1.00 0.00 C ATOM 852 O VAL A 53 -0.521 -4.020 -1.111 1.00 0.00 O ATOM 853 CB VAL A 53 1.876 -1.847 -0.969 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.794 -2.148 -2.145 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.254 -0.528 -0.314 1.00 0.00 C ATOM 0 H VAL A 53 -0.533 -1.984 0.447 1.00 0.00 H new ATOM 0 HA VAL A 53 0.296 -1.126 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 53 1.997 -2.640 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.830 -2.159 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.540 -3.121 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.671 -1.380 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.298 -0.563 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.116 0.285 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.620 -0.359 0.556 1.00 0.00 H new ATOM 865 N LEU A 54 0.264 -3.513 -3.158 1.00 0.00 N ATOM 866 CA LEU A 54 -0.067 -4.815 -3.728 1.00 0.00 C ATOM 867 C LEU A 54 1.115 -5.386 -4.505 1.00 0.00 C ATOM 868 O LEU A 54 1.907 -4.642 -5.084 1.00 0.00 O ATOM 869 CB LEU A 54 -1.289 -4.698 -4.643 1.00 0.00 C ATOM 870 CG LEU A 54 -2.480 -5.572 -4.247 1.00 0.00 C ATOM 871 CD1 LEU A 54 -2.063 -7.031 -4.154 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.069 -5.098 -2.927 1.00 0.00 C ATOM 0 H LEU A 54 0.700 -2.864 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.300 -5.495 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.612 -3.657 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.990 -4.957 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.246 -5.484 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.923 -7.638 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.686 -7.364 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.280 -7.139 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.916 -5.730 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.310 -5.158 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.404 -4.066 -3.028 1.00 0.00 H new ATOM 884 N PHE A 55 1.230 -6.710 -4.513 1.00 0.00 N ATOM 885 CA PHE A 55 2.317 -7.377 -5.219 1.00 0.00 C ATOM 886 C PHE A 55 1.838 -7.938 -6.555 1.00 0.00 C ATOM 887 O PHE A 55 1.092 -8.917 -6.598 1.00 0.00 O ATOM 888 CB PHE A 55 2.898 -8.503 -4.361 1.00 0.00 C ATOM 889 CG PHE A 55 4.102 -9.163 -4.970 1.00 0.00 C ATOM 890 CD1 PHE A 55 5.318 -8.500 -5.025 1.00 0.00 C ATOM 891 CD2 PHE A 55 4.017 -10.446 -5.488 1.00 0.00 C ATOM 892 CE1 PHE A 55 6.427 -9.107 -5.583 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.123 -11.056 -6.047 1.00 0.00 C ATOM 894 CZ PHE A 55 6.330 -10.385 -6.096 1.00 0.00 C ATOM 0 H PHE A 55 0.584 -7.341 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 55 3.095 -6.638 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.169 -8.102 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.127 -9.255 -4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.400 -7.499 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.076 -10.974 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.370 -8.581 -5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.044 -12.057 -6.446 1.00 0.00 H new ATOM 0 HZ PHE A 55 7.195 -10.859 -6.535 1.00 0.00 H new ATOM 904 N LEU A 56 2.273 -7.310 -7.642 1.00 0.00 N ATOM 905 CA LEU A 56 1.892 -7.744 -8.982 1.00 0.00 C ATOM 906 C LEU A 56 2.828 -8.839 -9.485 1.00 0.00 C ATOM 907 O LEU A 56 3.865 -8.554 -10.084 1.00 0.00 O ATOM 908 CB LEU A 56 1.907 -6.555 -9.948 1.00 0.00 C ATOM 909 CG LEU A 56 0.812 -5.511 -9.715 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.273 -4.139 -10.179 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.470 -5.914 -10.430 1.00 0.00 C ATOM 0 H LEU A 56 2.890 -6.498 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 56 0.882 -8.151 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.877 -6.063 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.815 -6.934 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 56 0.608 -5.460 -8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.481 -3.411 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.163 -3.847 -9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.506 -4.174 -11.243 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.237 -5.160 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.280 -5.994 -11.500 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.812 -6.876 -10.049 1.00 0.00 H new ATOM 923 N SER A 57 2.454 -10.091 -9.239 1.00 0.00 N ATOM 924 CA SER A 57 3.260 -11.228 -9.666 1.00 0.00 C ATOM 925 C SER A 57 3.290 -11.334 -11.187 1.00 0.00 C ATOM 926 O SER A 57 4.357 -11.441 -11.792 1.00 0.00 O ATOM 927 CB SER A 57 2.712 -12.524 -9.064 1.00 0.00 C ATOM 928 OG SER A 57 1.351 -12.711 -9.409 1.00 0.00 O ATOM 0 H SER A 57 1.597 -10.343 -8.746 1.00 0.00 H new ATOM 0 HA SER A 57 4.279 -11.072 -9.310 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.300 -13.370 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.815 -12.497 -7.979 1.00 0.00 H new ATOM 0 HG SER A 57 1.025 -13.546 -9.014 1.00 0.00 H new ATOM 934 N SER A 58 2.111 -11.303 -11.800 1.00 0.00 N ATOM 935 CA SER A 58 2.002 -11.394 -13.251 1.00 0.00 C ATOM 936 C SER A 58 0.774 -10.642 -13.751 1.00 0.00 C ATOM 937 O SER A 58 -0.358 -11.091 -13.573 1.00 0.00 O ATOM 938 CB SER A 58 1.930 -12.857 -13.689 1.00 0.00 C ATOM 939 OG SER A 58 1.393 -13.673 -12.663 1.00 0.00 O ATOM 0 H SER A 58 1.218 -11.216 -11.314 1.00 0.00 H new ATOM 0 HA SER A 58 2.890 -10.936 -13.686 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.314 -12.941 -14.584 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.927 -13.210 -13.954 1.00 0.00 H new ATOM 0 HG SER A 58 1.357 -14.603 -12.970 1.00 0.00 H new ATOM 945 N TYR A 59 1.004 -9.491 -14.377 1.00 0.00 N ATOM 946 CA TYR A 59 -0.086 -8.677 -14.901 1.00 0.00 C ATOM 947 C TYR A 59 -0.858 -9.430 -15.980 1.00 0.00 C ATOM 948 O TYR A 59 -0.278 -10.181 -16.762 1.00 0.00 O ATOM 949 CB TYR A 59 0.449 -7.359 -15.467 1.00 0.00 C ATOM 950 CG TYR A 59 -0.633 -6.457 -16.017 1.00 0.00 C ATOM 951 CD1 TYR A 59 -1.546 -5.841 -15.169 1.00 0.00 C ATOM 952 CD2 TYR A 59 -0.744 -6.224 -17.382 1.00 0.00 C ATOM 953 CE1 TYR A 59 -2.538 -5.019 -15.666 1.00 0.00 C ATOM 954 CE2 TYR A 59 -1.734 -5.403 -17.887 1.00 0.00 C ATOM 955 CZ TYR A 59 -2.628 -4.803 -17.027 1.00 0.00 C ATOM 956 OH TYR A 59 -3.614 -3.984 -17.528 1.00 0.00 O ATOM 0 H TYR A 59 1.934 -9.102 -14.533 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.765 -8.458 -14.077 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.990 -6.829 -14.683 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.167 -7.577 -16.258 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.478 -6.008 -14.104 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.045 -6.692 -18.059 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.240 -4.548 -14.994 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.807 -5.232 -18.951 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.536 -3.938 -18.504 1.00 0.00 H new ATOM 966 N ASN A 60 -2.170 -9.219 -16.016 1.00 0.00 N ATOM 967 CA ASN A 60 -3.025 -9.873 -16.998 1.00 0.00 C ATOM 968 C ASN A 60 -3.145 -9.024 -18.262 1.00 0.00 C ATOM 969 O ASN A 60 -2.317 -8.149 -18.510 1.00 0.00 O ATOM 970 CB ASN A 60 -4.409 -10.138 -16.399 1.00 0.00 C ATOM 971 CG ASN A 60 -4.333 -10.739 -15.008 1.00 0.00 C ATOM 972 OD1 ASN A 60 -4.649 -10.081 -14.016 1.00 0.00 O ATOM 973 ND2 ASN A 60 -3.913 -11.995 -14.929 1.00 0.00 N ATOM 0 H ASN A 60 -2.664 -8.599 -15.375 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.572 -10.826 -17.270 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.969 -9.204 -16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.962 -10.812 -17.053 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.842 -12.453 -14.020 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.661 -12.503 -15.777 1.00 0.00 H new ATOM 980 N SER A 61 -4.173 -9.286 -19.063 1.00 0.00 N ATOM 981 CA SER A 61 -4.384 -8.541 -20.298 1.00 0.00 C ATOM 982 C SER A 61 -5.842 -8.113 -20.438 1.00 0.00 C ATOM 983 O SER A 61 -6.131 -6.969 -20.792 1.00 0.00 O ATOM 984 CB SER A 61 -3.971 -9.388 -21.505 1.00 0.00 C ATOM 985 OG SER A 61 -4.155 -8.674 -22.715 1.00 0.00 O ATOM 0 H SER A 61 -4.871 -10.007 -18.879 1.00 0.00 H new ATOM 0 HA SER A 61 -3.765 -7.644 -20.261 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.926 -9.681 -21.407 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.559 -10.306 -21.528 1.00 0.00 H new ATOM 0 HG SER A 61 -3.883 -9.235 -23.471 1.00 0.00 H new ATOM 991 N VAL A 62 -6.756 -9.038 -20.159 1.00 0.00 N ATOM 992 CA VAL A 62 -8.186 -8.757 -20.255 1.00 0.00 C ATOM 993 C VAL A 62 -8.561 -7.510 -19.462 1.00 0.00 C ATOM 994 O VAL A 62 -7.759 -6.993 -18.682 1.00 0.00 O ATOM 995 CB VAL A 62 -9.024 -9.944 -19.748 1.00 0.00 C ATOM 996 CG1 VAL A 62 -8.949 -11.110 -20.724 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.564 -10.369 -18.364 1.00 0.00 C ATOM 0 H VAL A 62 -6.532 -9.989 -19.865 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.403 -8.589 -21.310 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.064 -9.626 -19.679 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -9.548 -11.939 -20.347 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.333 -10.797 -21.695 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.912 -11.430 -20.830 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -9.168 -11.209 -18.022 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.517 -10.668 -18.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.677 -9.535 -17.671 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.782 -7.029 -19.667 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.262 -5.841 -18.970 1.00 0.00 C ATOM 1009 C ASP A 63 -10.225 -6.035 -17.457 1.00 0.00 C ATOM 1010 O ASP A 63 -10.218 -5.067 -16.700 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.685 -5.501 -19.415 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.061 -4.065 -19.106 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.650 -3.165 -19.869 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -12.765 -3.839 -18.099 1.00 0.00 O ATOM 0 H ASP A 63 -10.457 -7.443 -20.310 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.599 -5.015 -19.226 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.779 -5.675 -20.487 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.387 -6.172 -18.920 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.198 -7.293 -17.020 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.159 -7.605 -15.596 1.00 0.00 C ATOM 1021 C GLU A 64 -9.001 -6.886 -14.909 1.00 0.00 C ATOM 1022 O GLU A 64 -9.032 -6.650 -13.701 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.031 -9.115 -15.386 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.334 -9.559 -13.964 1.00 0.00 C ATOM 1025 CD GLU A 64 -9.764 -10.927 -13.645 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -8.597 -11.183 -14.010 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -10.483 -11.741 -13.029 1.00 0.00 O ATOM 0 H GLU A 64 -10.202 -8.109 -17.631 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.092 -7.260 -15.151 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.708 -9.627 -16.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.019 -9.425 -15.647 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.927 -8.828 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.414 -9.576 -13.815 1.00 0.00 H new ATOM 1034 N ILE A 65 -7.979 -6.541 -15.687 1.00 0.00 N ATOM 1035 CA ILE A 65 -6.810 -5.851 -15.156 1.00 0.00 C ATOM 1036 C ILE A 65 -7.201 -4.558 -14.442 1.00 0.00 C ATOM 1037 O ILE A 65 -6.670 -4.242 -13.378 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.799 -5.524 -16.272 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.482 -4.749 -17.400 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.170 -6.801 -16.808 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -6.314 -3.249 -17.293 1.00 0.00 C ATOM 0 H ILE A 65 -7.938 -6.729 -16.689 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.346 -6.527 -14.438 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.010 -4.900 -15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.079 -5.084 -18.356 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.546 -4.988 -17.401 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.458 -6.553 -17.596 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.652 -7.318 -16.000 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.948 -7.448 -17.213 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.824 -2.765 -18.126 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.743 -2.901 -16.353 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.254 -2.999 -17.322 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.131 -3.815 -15.035 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.586 -2.555 -14.454 1.00 0.00 C ATOM 1055 C ARG A 66 -9.585 -2.795 -13.323 1.00 0.00 C ATOM 1056 O ARG A 66 -9.568 -2.098 -12.309 1.00 0.00 O ATOM 1057 CB ARG A 66 -9.208 -1.660 -15.534 1.00 0.00 C ATOM 1058 CG ARG A 66 -10.657 -1.995 -15.863 1.00 0.00 C ATOM 1059 CD ARG A 66 -11.134 -1.258 -17.105 1.00 0.00 C ATOM 1060 NE ARG A 66 -12.314 -0.440 -16.836 1.00 0.00 N ATOM 1061 CZ ARG A 66 -12.760 0.511 -17.654 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -12.127 0.768 -18.793 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -13.841 1.208 -17.332 1.00 0.00 N ATOM 0 H ARG A 66 -8.583 -4.062 -15.915 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.717 -2.048 -14.034 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.152 -0.622 -15.206 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.613 -1.740 -16.444 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.757 -3.070 -16.016 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.293 -1.733 -15.017 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.331 -0.624 -17.481 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.364 -1.980 -17.889 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.827 -0.607 -15.970 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.294 0.235 -19.045 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.474 1.498 -19.416 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.330 1.015 -16.458 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.183 1.937 -17.958 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.458 -3.781 -13.506 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.465 -4.105 -12.500 1.00 0.00 C ATOM 1079 C LYS A 67 -10.817 -4.454 -11.164 1.00 0.00 C ATOM 1080 O LYS A 67 -11.196 -3.922 -10.120 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.336 -5.271 -12.973 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.709 -5.309 -12.323 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.609 -6.340 -12.984 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.033 -5.827 -13.125 1.00 0.00 C ATOM 1085 NZ LYS A 67 -16.228 -5.070 -14.394 1.00 0.00 N ATOM 0 H LYS A 67 -10.489 -4.368 -14.339 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.091 -3.223 -12.360 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.457 -5.207 -14.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.819 -6.208 -12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.605 -5.541 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.172 -4.324 -12.389 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.213 -6.593 -13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.608 -7.257 -12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.726 -6.667 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.273 -5.184 -12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.212 -4.737 -14.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.584 -4.253 -14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.024 -5.691 -15.203 1.00 0.00 H new ATOM 1099 N GLU A 68 -9.840 -5.353 -11.201 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.144 -5.776 -9.993 1.00 0.00 C ATOM 1101 C GLU A 68 -8.454 -4.596 -9.315 1.00 0.00 C ATOM 1102 O GLU A 68 -8.626 -4.370 -8.117 1.00 0.00 O ATOM 1103 CB GLU A 68 -8.119 -6.861 -10.323 1.00 0.00 C ATOM 1104 CG GLU A 68 -7.783 -7.759 -9.144 1.00 0.00 C ATOM 1105 CD GLU A 68 -8.892 -8.744 -8.828 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -10.034 -8.296 -8.591 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -8.619 -9.962 -8.815 1.00 0.00 O ATOM 0 H GLU A 68 -9.512 -5.803 -12.056 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.884 -6.182 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.501 -7.474 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.204 -6.388 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.866 -8.307 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.588 -7.143 -8.266 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.669 -3.850 -10.085 1.00 0.00 N ATOM 1115 CA LEU A 69 -6.950 -2.697 -9.552 1.00 0.00 C ATOM 1116 C LEU A 69 -7.913 -1.587 -9.142 1.00 0.00 C ATOM 1117 O LEU A 69 -7.934 -1.171 -7.982 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.949 -2.171 -10.583 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.553 -1.876 -10.035 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -3.885 -3.156 -9.563 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.702 -1.187 -11.091 1.00 0.00 C ATOM 0 H LEU A 69 -7.514 -4.022 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.408 -3.022 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.860 -2.902 -11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.350 -1.259 -11.024 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.652 -1.206 -9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.892 -2.927 -9.176 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.485 -3.611 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.797 -3.850 -10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.711 -0.984 -10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.611 -1.834 -11.964 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.174 -0.249 -11.383 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.709 -1.108 -10.095 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.674 -0.045 -9.822 1.00 0.00 C ATOM 1135 C GLU A 70 -10.483 -0.357 -8.567 1.00 0.00 C ATOM 1136 O GLU A 70 -10.858 0.543 -7.817 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.611 0.142 -11.016 1.00 0.00 C ATOM 1138 CG GLU A 70 -11.356 1.469 -11.003 1.00 0.00 C ATOM 1139 CD GLU A 70 -11.324 2.170 -12.348 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.213 2.461 -12.839 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -12.409 2.428 -12.909 1.00 0.00 O ATOM 0 H GLU A 70 -8.705 -1.438 -11.060 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.122 0.880 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.032 0.069 -11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.336 -0.672 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.392 1.297 -10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.917 2.120 -10.247 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.736 -1.643 -8.341 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.486 -2.078 -7.172 1.00 0.00 C ATOM 1150 C GLU A 71 -10.731 -1.722 -5.895 1.00 0.00 C ATOM 1151 O GLU A 71 -11.316 -1.230 -4.930 1.00 0.00 O ATOM 1152 CB GLU A 71 -11.734 -3.587 -7.232 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.098 -3.960 -7.790 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.480 -5.396 -7.484 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -12.890 -5.982 -6.552 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -14.368 -5.934 -8.178 1.00 0.00 O ATOM 0 H GLU A 71 -10.432 -2.400 -8.953 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.447 -1.564 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.961 -4.049 -7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.635 -4.003 -6.229 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.852 -3.291 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.098 -3.810 -8.870 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.424 -1.970 -5.903 1.00 0.00 N ATOM 1164 CA ALA A 72 -8.582 -1.672 -4.752 1.00 0.00 C ATOM 1165 C ALA A 72 -8.256 -0.183 -4.680 1.00 0.00 C ATOM 1166 O ALA A 72 -7.965 0.346 -3.607 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.302 -2.493 -4.809 1.00 0.00 C ATOM 0 H ALA A 72 -8.926 -2.377 -6.695 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.133 -1.940 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.682 -2.261 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.550 -3.554 -4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.756 -2.253 -5.721 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.310 0.491 -5.827 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.020 1.913 -5.867 1.00 0.00 C ATOM 1175 C GLY A 73 -8.908 2.710 -4.931 1.00 0.00 C ATOM 1176 O GLY A 73 -8.430 3.293 -3.958 1.00 0.00 O ATOM 0 H GLY A 73 -8.549 0.077 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.976 2.076 -5.600 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.149 2.279 -6.886 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.204 2.732 -5.224 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.164 3.460 -4.400 1.00 0.00 C ATOM 1182 C ALA A 74 -12.591 3.010 -4.695 1.00 0.00 C ATOM 1183 O ALA A 74 -13.538 3.783 -4.550 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.024 4.959 -4.622 1.00 0.00 C ATOM 0 H ALA A 74 -10.615 2.254 -6.026 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.949 3.239 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.747 5.488 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.016 5.274 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.209 5.190 -5.671 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.738 1.755 -5.110 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.049 1.201 -5.427 1.00 0.00 C ATOM 1192 C LYS A 75 -14.575 0.351 -4.279 1.00 0.00 C ATOM 1193 O LYS A 75 -15.432 0.782 -3.508 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.975 0.373 -6.713 1.00 0.00 C ATOM 1195 CG LYS A 75 -14.798 0.950 -7.855 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.778 -0.073 -8.410 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.127 -0.962 -9.459 1.00 0.00 C ATOM 1198 NZ LYS A 75 -15.944 -1.050 -10.700 1.00 0.00 N ATOM 0 H LYS A 75 -11.964 1.102 -5.234 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.742 2.029 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.934 0.298 -7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.319 -0.640 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.344 1.826 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.133 1.287 -8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.160 -0.690 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.633 0.442 -8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.139 -0.572 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.983 -1.961 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.465 -1.665 -11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.878 -1.447 -10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.061 -0.100 -11.107 1.00 0.00 H new ATOM 1212 N ILE A 76 -14.055 -0.859 -4.182 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.460 -1.793 -3.136 1.00 0.00 C ATOM 1214 C ILE A 76 -14.025 -1.300 -1.760 1.00 0.00 C ATOM 1215 O ILE A 76 -13.125 -0.468 -1.644 1.00 0.00 O ATOM 1216 CB ILE A 76 -13.875 -3.200 -3.375 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -14.041 -3.611 -4.840 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -14.543 -4.216 -2.459 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -15.466 -3.503 -5.343 1.00 0.00 C ATOM 0 H ILE A 76 -13.346 -1.224 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.548 -1.852 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.810 -3.173 -3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.398 -2.986 -5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.699 -4.639 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -14.119 -5.204 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -14.375 -3.934 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.614 -4.239 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.507 -3.810 -6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -16.112 -4.150 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.806 -2.471 -5.255 1.00 0.00 H new ATOM 1231 N ASN A 77 -14.670 -1.819 -0.720 1.00 0.00 N ATOM 1232 CA ASN A 77 -14.352 -1.431 0.651 1.00 0.00 C ATOM 1233 C ASN A 77 -12.892 -1.734 0.985 1.00 0.00 C ATOM 1234 O ASN A 77 -12.321 -1.138 1.898 1.00 0.00 O ATOM 1235 CB ASN A 77 -15.272 -2.157 1.633 1.00 0.00 C ATOM 1236 CG ASN A 77 -15.231 -1.549 3.021 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -15.013 -2.247 4.011 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -15.442 -0.241 3.100 1.00 0.00 N ATOM 0 H ASN A 77 -15.416 -2.510 -0.800 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.508 -0.356 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.295 -2.129 1.257 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -14.982 -3.206 1.690 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.427 0.224 4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.619 0.299 2.253 1.00 0.00 H new ATOM 1245 N HIS A 78 -12.294 -2.663 0.245 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.902 -3.041 0.467 1.00 0.00 C ATOM 1247 C HIS A 78 -10.721 -3.670 1.846 1.00 0.00 C ATOM 1248 O HIS A 78 -11.599 -3.566 2.700 1.00 0.00 O ATOM 1249 CB HIS A 78 -9.989 -1.820 0.327 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.532 -2.144 0.449 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -7.813 -1.951 1.611 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -7.659 -2.660 -0.448 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -6.564 -2.333 1.423 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -6.443 -2.768 0.181 1.00 0.00 N ATOM 0 H HIS A 78 -12.752 -3.168 -0.514 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.629 -3.778 -0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.169 -1.351 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.255 -1.088 1.090 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -7.878 -2.936 -1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -5.775 -2.296 2.159 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.586 -3.126 -0.241 1.00 0.00 H new ATOM 1263 N THR A 79 -9.577 -4.323 2.044 1.00 0.00 N ATOM 1264 CA THR A 79 -9.251 -4.982 3.310 1.00 0.00 C ATOM 1265 C THR A 79 -10.311 -6.011 3.697 1.00 0.00 C ATOM 1266 O THR A 79 -11.510 -5.772 3.562 1.00 0.00 O ATOM 1267 CB THR A 79 -9.052 -3.951 4.431 1.00 0.00 C ATOM 1268 OG1 THR A 79 -8.337 -4.523 5.511 1.00 0.00 O ATOM 1269 CG2 THR A 79 -10.339 -3.377 4.993 1.00 0.00 C ATOM 0 H THR A 79 -8.850 -4.411 1.333 1.00 0.00 H new ATOM 0 HA THR A 79 -8.311 -5.516 3.169 1.00 0.00 H new ATOM 0 HB THR A 79 -8.500 -3.138 3.960 1.00 0.00 H new ATOM 0 HG1 THR A 79 -8.217 -3.853 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.104 -2.659 5.778 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.892 -2.878 4.198 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.946 -4.182 5.407 1.00 0.00 H new ATOM 1277 N THR A 80 -9.852 -7.164 4.178 1.00 0.00 N ATOM 1278 CA THR A 80 -10.746 -8.245 4.589 1.00 0.00 C ATOM 1279 C THR A 80 -9.963 -9.533 4.831 1.00 0.00 C ATOM 1280 O THR A 80 -10.339 -10.351 5.671 1.00 0.00 O ATOM 1281 CB THR A 80 -11.823 -8.489 3.527 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.460 -9.736 3.734 1.00 0.00 O ATOM 1283 CG2 THR A 80 -11.284 -8.477 2.113 1.00 0.00 C ATOM 0 H THR A 80 -8.861 -7.375 4.293 1.00 0.00 H new ATOM 0 HA THR A 80 -11.227 -7.944 5.520 1.00 0.00 H new ATOM 0 HB THR A 80 -12.527 -7.664 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.145 -9.872 3.046 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.099 -8.656 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.832 -7.508 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.533 -9.259 2.003 1.00 0.00 H new ATOM 1291 N LEU A 81 -8.873 -9.705 4.083 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.024 -10.891 4.201 1.00 0.00 C ATOM 1293 C LEU A 81 -8.714 -12.140 3.648 1.00 0.00 C ATOM 1294 O LEU A 81 -8.157 -13.239 3.699 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.614 -11.117 5.662 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.170 -10.734 5.995 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.910 -10.878 7.486 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.196 -11.588 5.195 1.00 0.00 C ATOM 0 H LEU A 81 -8.556 -9.033 3.384 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.130 -10.712 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.283 -10.544 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.761 -12.169 5.906 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.017 -9.690 5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.878 -10.601 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.585 -10.224 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.080 -11.912 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.174 -11.303 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.349 -12.639 5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.367 -11.434 4.130 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.921 -11.974 3.109 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.661 -13.097 2.547 1.00 0.00 C ATOM 1312 C LYS A 82 -10.261 -13.327 1.096 1.00 0.00 C ATOM 1313 O LYS A 82 -10.012 -14.459 0.683 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.168 -12.847 2.645 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.982 -14.114 2.852 1.00 0.00 C ATOM 1316 CD LYS A 82 -14.451 -13.802 3.085 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.806 -13.867 4.562 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.757 -15.261 5.085 1.00 0.00 N ATOM 0 H LYS A 82 -10.403 -11.077 3.051 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.417 -13.990 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.361 -12.162 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.506 -12.353 1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.880 -14.759 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.587 -14.666 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.679 -12.809 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.067 -14.510 2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.116 -13.242 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.805 -13.457 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.327 -15.326 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.138 -15.913 4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.772 -15.518 5.298 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.188 -12.245 0.327 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.802 -12.338 -1.074 1.00 0.00 C ATOM 1334 C ILE A 83 -8.399 -12.910 -1.201 1.00 0.00 C ATOM 1335 O ILE A 83 -8.091 -13.621 -2.156 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.857 -10.965 -1.772 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.109 -9.917 -0.944 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.300 -10.541 -1.996 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -8.638 -8.731 -1.756 1.00 0.00 C ATOM 0 H ILE A 83 -10.390 -11.299 0.650 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.516 -13.002 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.370 -11.048 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.761 -9.564 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.248 -10.387 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.321 -9.569 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.803 -11.278 -2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.812 -10.471 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.116 -8.029 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.961 -9.072 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.497 -8.236 -2.209 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.555 -12.608 -0.219 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.190 -13.110 -0.214 1.00 0.00 C ATOM 1353 C LEU A 84 -6.194 -14.611 0.029 1.00 0.00 C ATOM 1354 O LEU A 84 -5.512 -15.366 -0.664 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.357 -12.402 0.859 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.958 -10.962 0.527 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -5.931 -9.980 1.158 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.537 -10.682 0.994 1.00 0.00 C ATOM 0 H LEU A 84 -7.793 -12.020 0.580 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.740 -12.906 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.921 -12.400 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.451 -12.982 1.035 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.996 -10.835 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.631 -8.961 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.935 -10.166 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.926 -10.107 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.270 -9.654 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.473 -10.827 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.849 -11.364 0.495 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.985 -15.042 1.008 1.00 0.00 N ATOM 1371 CA GLU A 85 -7.092 -16.458 1.325 1.00 0.00 C ATOM 1372 C GLU A 85 -7.737 -17.215 0.166 1.00 0.00 C ATOM 1373 O GLU A 85 -7.593 -18.433 0.052 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.910 -16.659 2.603 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.437 -17.830 3.448 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.444 -17.519 4.931 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -7.262 -16.337 5.292 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.631 -18.458 5.735 1.00 0.00 O ATOM 0 H GLU A 85 -7.558 -14.432 1.591 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.088 -16.851 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.865 -15.749 3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.955 -16.813 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.077 -18.692 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.428 -18.109 3.144 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.451 -16.486 -0.693 1.00 0.00 N ATOM 1386 CA GLY A 86 -9.106 -17.109 -1.828 1.00 0.00 C ATOM 1387 C GLY A 86 -8.177 -17.298 -3.013 1.00 0.00 C ATOM 1388 O GLY A 86 -8.322 -18.255 -3.773 1.00 0.00 O ATOM 0 H GLY A 86 -8.586 -15.477 -0.621 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.503 -18.078 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.955 -16.497 -2.132 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.222 -16.385 -3.177 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.276 -16.470 -4.286 1.00 0.00 C ATOM 1394 C HIS A 87 -5.128 -15.478 -4.113 1.00 0.00 C ATOM 1395 O HIS A 87 -4.972 -14.549 -4.906 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.995 -16.213 -5.613 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.709 -14.898 -5.662 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.200 -13.787 -6.300 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -8.903 -14.518 -5.146 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -8.047 -12.781 -6.174 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -9.088 -13.199 -5.479 1.00 0.00 N ATOM 0 H HIS A 87 -7.084 -15.584 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.856 -17.476 -4.293 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.268 -16.253 -6.424 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.713 -17.014 -5.789 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -9.582 -15.137 -4.579 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.911 -11.786 -6.572 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.899 -12.633 -5.229 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.322 -15.683 -3.075 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.187 -14.808 -2.806 1.00 0.00 C ATOM 1412 C LEU A 88 -2.292 -15.392 -1.717 1.00 0.00 C ATOM 1413 O LEU A 88 -2.826 -15.776 -0.655 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.671 -13.417 -2.392 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.791 -12.257 -2.864 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -2.595 -12.318 -4.371 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -3.403 -10.925 -2.458 1.00 0.00 C ATOM 1418 OXT LEU A 88 -1.064 -15.460 -1.934 1.00 0.00 O ATOM 0 H LEU A 88 -4.434 -16.446 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.604 -14.724 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.679 -13.269 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.740 -13.382 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.815 -12.346 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.967 -11.486 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.114 -13.259 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.563 -12.253 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.764 -10.111 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.391 -10.826 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.493 -10.882 -1.373 1.00 0.00 H new TER 1430 LEU A 88