USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Set 2.1: A 23 SER OG : rot 179:sc= 0.381 USER MOD Set 2.2: A 90 THR OG1 : rot -59:sc= 0.219 USER MOD Set 3.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 66 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -121:sc= -0.701 (180deg=-0.79) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= -0.0947 (180deg=-2.23) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.508 (180deg=-0.661) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -23:sc= 0.179! USER MOD Single : A 20 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.49) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.0786 (180deg=-0.451) USER MOD Single : A 29 GLN : amide:sc= -1.97 K(o=-2,f=-3.7!) USER MOD Single : A 31 TYR OH : rot 166:sc= 0.457 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.605 K(o=-0.61,f=-4.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -134:sc= 0.453 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -149:sc= 0.00029 (180deg=-1.77!) USER MOD Single : A 64 SER OG : rot -82:sc= 0.289 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 157:sc= 0.263 USER MOD Single : A 82 SER OG : rot -78:sc= 0.559 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.739 F(o=-1.5!,f=-0.74) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= -0.039 (180deg=-0.25) USER MOD Single : A 99 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.05) USER MOD Single : A 100 THR OG1 : rot -70:sc= 0.592 USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= -0.0335 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.259 14.655 -5.143 1.00 0.00 N ATOM 2 CA MET A 1 7.901 14.537 -6.479 1.00 0.00 C ATOM 3 C MET A 1 9.419 14.429 -6.351 1.00 0.00 C ATOM 4 O MET A 1 10.075 15.343 -5.842 1.00 0.00 O ATOM 5 CB MET A 1 7.518 15.768 -7.312 1.00 0.00 C ATOM 6 CG MET A 1 8.059 15.746 -8.737 1.00 0.00 C ATOM 7 SD MET A 1 7.606 17.219 -9.673 1.00 0.00 S ATOM 8 CE MET A 1 8.392 16.879 -11.245 1.00 0.00 C ATOM 0 H1 MET A 1 6.228 14.727 -5.258 1.00 0.00 H new ATOM 0 H2 MET A 1 7.486 13.815 -4.573 1.00 0.00 H new ATOM 0 H3 MET A 1 7.614 15.506 -4.661 1.00 0.00 H new ATOM 0 HA MET A 1 7.551 13.630 -6.971 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.431 15.846 -7.348 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.885 16.663 -6.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.145 15.658 -8.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.681 14.862 -9.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.201 17.703 -11.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.467 16.770 -11.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.987 15.957 -11.662 1.00 0.00 H new ATOM 20 N GLY A 2 9.965 13.308 -6.822 1.00 0.00 N ATOM 21 CA GLY A 2 11.404 13.093 -6.762 1.00 0.00 C ATOM 22 C GLY A 2 11.776 11.680 -6.330 1.00 0.00 C ATOM 23 O GLY A 2 10.889 10.882 -6.017 1.00 0.00 O ATOM 0 H GLY A 2 9.437 12.545 -7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.837 13.294 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.844 13.808 -6.067 1.00 0.00 H new ATOM 27 N PRO A 3 13.094 11.334 -6.292 1.00 0.00 N ATOM 28 CA PRO A 3 13.545 10.008 -5.883 1.00 0.00 C ATOM 29 C PRO A 3 13.537 9.848 -4.366 1.00 0.00 C ATOM 30 O PRO A 3 14.336 10.469 -3.658 1.00 0.00 O ATOM 31 CB PRO A 3 14.973 9.903 -6.431 1.00 0.00 C ATOM 32 CG PRO A 3 15.349 11.253 -6.953 1.00 0.00 C ATOM 33 CD PRO A 3 14.232 12.205 -6.632 1.00 0.00 C ATOM 0 HA PRO A 3 12.888 9.225 -6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.663 9.588 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.027 9.156 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.280 11.591 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.517 11.212 -8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.494 12.859 -5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.001 12.847 -7.482 1.00 0.00 H new ATOM 41 N MET A 4 12.616 9.019 -3.877 1.00 0.00 N ATOM 42 CA MET A 4 12.479 8.772 -2.443 1.00 0.00 C ATOM 43 C MET A 4 12.125 7.303 -2.160 1.00 0.00 C ATOM 44 O MET A 4 11.474 6.658 -2.980 1.00 0.00 O ATOM 45 CB MET A 4 11.414 9.697 -1.843 1.00 0.00 C ATOM 46 CG MET A 4 10.125 9.752 -2.657 1.00 0.00 C ATOM 47 SD MET A 4 8.887 10.859 -1.955 1.00 0.00 S ATOM 48 CE MET A 4 8.289 9.871 -0.589 1.00 0.00 C ATOM 0 H MET A 4 11.951 8.505 -4.456 1.00 0.00 H new ATOM 0 HA MET A 4 13.440 8.984 -1.974 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.182 9.362 -0.832 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.824 10.703 -1.759 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.358 10.075 -3.672 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.706 8.748 -2.730 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.218 9.703 -0.703 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.808 8.912 -0.579 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.477 10.395 0.348 1.00 0.00 H new ATOM 58 N PRO A 5 12.559 6.752 -0.993 1.00 0.00 N ATOM 59 CA PRO A 5 12.290 5.358 -0.619 1.00 0.00 C ATOM 60 C PRO A 5 10.977 5.175 0.149 1.00 0.00 C ATOM 61 O PRO A 5 10.380 6.146 0.623 1.00 0.00 O ATOM 62 CB PRO A 5 13.477 5.048 0.287 1.00 0.00 C ATOM 63 CG PRO A 5 13.734 6.329 1.010 1.00 0.00 C ATOM 64 CD PRO A 5 13.357 7.436 0.054 1.00 0.00 C ATOM 0 HA PRO A 5 12.182 4.710 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.247 4.239 0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.347 4.736 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.142 6.386 1.924 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.781 6.407 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.778 8.213 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.240 7.917 -0.368 1.00 0.00 H new ATOM 72 N LYS A 6 10.551 3.916 0.284 1.00 0.00 N ATOM 73 CA LYS A 6 9.330 3.584 1.017 1.00 0.00 C ATOM 74 C LYS A 6 9.640 3.324 2.490 1.00 0.00 C ATOM 75 O LYS A 6 10.690 3.728 2.993 1.00 0.00 O ATOM 76 CB LYS A 6 8.635 2.357 0.410 1.00 0.00 C ATOM 77 CG LYS A 6 7.815 2.663 -0.828 1.00 0.00 C ATOM 78 CD LYS A 6 6.451 2.000 -0.793 1.00 0.00 C ATOM 79 CE LYS A 6 5.506 2.688 0.181 1.00 0.00 C ATOM 80 NZ LYS A 6 4.266 1.898 0.411 1.00 0.00 N ATOM 0 H LYS A 6 11.037 3.109 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 6 8.657 4.438 0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.390 1.612 0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.985 1.911 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.690 3.742 -0.921 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.357 2.328 -1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.015 2.015 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.564 0.953 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.017 2.845 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.242 3.672 -0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.475 2.543 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.051 1.335 -0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.404 1.263 1.223 1.00 0.00 H new ATOM 94 N LEU A 7 8.718 2.638 3.165 1.00 0.00 N ATOM 95 CA LEU A 7 8.873 2.302 4.570 1.00 0.00 C ATOM 96 C LEU A 7 9.526 0.923 4.686 1.00 0.00 C ATOM 97 O LEU A 7 10.126 0.593 5.710 1.00 0.00 O ATOM 98 CB LEU A 7 7.503 2.294 5.301 1.00 0.00 C ATOM 99 CG LEU A 7 6.480 3.426 4.978 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.113 4.818 5.000 1.00 0.00 C ATOM 101 CD2 LEU A 7 5.779 3.173 3.649 1.00 0.00 C ATOM 0 H LEU A 7 7.848 2.303 2.751 1.00 0.00 H new ATOM 0 HA LEU A 7 9.502 3.058 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.020 1.340 5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.699 2.321 6.373 1.00 0.00 H new ATOM 0 HG LEU A 7 5.735 3.404 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.355 5.566 4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.526 5.014 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.910 4.867 4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.072 3.979 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.518 3.135 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.244 2.224 3.695 1.00 0.00 H new ATOM 113 N ALA A 8 9.391 0.129 3.614 1.00 0.00 N ATOM 114 CA ALA A 8 9.945 -1.225 3.550 1.00 0.00 C ATOM 115 C ALA A 8 11.032 -1.330 2.470 1.00 0.00 C ATOM 116 O ALA A 8 11.557 -0.310 2.017 1.00 0.00 O ATOM 117 CB ALA A 8 8.825 -2.216 3.275 1.00 0.00 C ATOM 0 H ALA A 8 8.894 0.410 2.769 1.00 0.00 H new ATOM 0 HA ALA A 8 10.409 -1.458 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.235 -3.225 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.087 -2.162 4.075 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.349 -1.972 2.325 1.00 0.00 H new ATOM 123 N ASP A 9 11.367 -2.568 2.065 1.00 0.00 N ATOM 124 CA ASP A 9 12.391 -2.797 1.045 1.00 0.00 C ATOM 125 C ASP A 9 12.004 -3.922 0.069 1.00 0.00 C ATOM 126 O ASP A 9 12.524 -3.977 -1.050 1.00 0.00 O ATOM 127 CB ASP A 9 13.751 -3.080 1.704 1.00 0.00 C ATOM 128 CG ASP A 9 13.716 -4.192 2.743 1.00 0.00 C ATOM 129 OD1 ASP A 9 12.912 -4.103 3.695 1.00 0.00 O ATOM 130 OD2 ASP A 9 14.517 -5.139 2.619 1.00 0.00 O ATOM 0 H ASP A 9 10.941 -3.420 2.431 1.00 0.00 H new ATOM 0 HA ASP A 9 12.471 -1.885 0.454 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.471 -3.343 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.111 -2.166 2.177 1.00 0.00 H new ATOM 135 N ARG A 10 11.078 -4.799 0.483 1.00 0.00 N ATOM 136 CA ARG A 10 10.610 -5.903 -0.376 1.00 0.00 C ATOM 137 C ARG A 10 9.081 -5.935 -0.450 1.00 0.00 C ATOM 138 O ARG A 10 8.393 -5.549 0.505 1.00 0.00 O ATOM 139 CB ARG A 10 11.127 -7.262 0.116 1.00 0.00 C ATOM 140 CG ARG A 10 12.460 -7.685 -0.471 1.00 0.00 C ATOM 141 CD ARG A 10 13.623 -7.195 0.373 1.00 0.00 C ATOM 142 NE ARG A 10 13.625 -7.777 1.721 1.00 0.00 N ATOM 143 CZ ARG A 10 13.920 -9.054 2.005 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.285 -9.904 1.048 1.00 0.00 N ATOM 145 NH2 ARG A 10 13.861 -9.477 3.260 1.00 0.00 N ATOM 0 H ARG A 10 10.638 -4.768 1.403 1.00 0.00 H new ATOM 0 HA ARG A 10 11.012 -5.719 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.218 -7.229 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.384 -8.024 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.497 -8.772 -0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.553 -7.292 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 10 14.560 -7.442 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.579 -6.109 0.450 1.00 0.00 H new ATOM 0 HE ARG A 10 13.384 -7.164 2.500 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.344 -9.588 0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.506 -10.872 1.283 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.592 -8.832 4.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.084 -10.447 3.482 1.00 0.00 H new ATOM 159 N LYS A 11 8.562 -6.396 -1.596 1.00 0.00 N ATOM 160 CA LYS A 11 7.121 -6.479 -1.827 1.00 0.00 C ATOM 161 C LYS A 11 6.705 -7.876 -2.290 1.00 0.00 C ATOM 162 O LYS A 11 7.549 -8.733 -2.561 1.00 0.00 O ATOM 163 CB LYS A 11 6.705 -5.439 -2.878 1.00 0.00 C ATOM 164 CG LYS A 11 7.395 -5.613 -4.223 1.00 0.00 C ATOM 165 CD LYS A 11 7.260 -4.379 -5.092 1.00 0.00 C ATOM 166 CE LYS A 11 8.037 -4.524 -6.393 1.00 0.00 C ATOM 167 NZ LYS A 11 7.465 -5.574 -7.279 1.00 0.00 N ATOM 0 H LYS A 11 9.128 -6.719 -2.381 1.00 0.00 H new ATOM 0 HA LYS A 11 6.616 -6.274 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.626 -5.495 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.923 -4.442 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.451 -5.831 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.967 -6.471 -4.742 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.207 -4.202 -5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.622 -3.507 -4.546 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.040 -3.570 -6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.075 -4.768 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.222 -6.215 -7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.747 -6.115 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.026 -5.127 -8.109 1.00 0.00 H new ATOM 181 N LEU A 12 5.389 -8.077 -2.389 1.00 0.00 N ATOM 182 CA LEU A 12 4.818 -9.343 -2.833 1.00 0.00 C ATOM 183 C LEU A 12 3.846 -9.104 -3.983 1.00 0.00 C ATOM 184 O LEU A 12 2.863 -8.378 -3.830 1.00 0.00 O ATOM 185 CB LEU A 12 4.098 -10.053 -1.675 1.00 0.00 C ATOM 186 CG LEU A 12 4.999 -10.587 -0.554 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.160 -10.993 0.649 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.829 -11.770 -1.040 1.00 0.00 C ATOM 0 H LEU A 12 4.693 -7.366 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 12 5.630 -9.983 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.380 -9.358 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.527 -10.886 -2.084 1.00 0.00 H new ATOM 0 HG LEU A 12 5.681 -9.790 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.812 -11.370 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.609 -10.128 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.457 -11.773 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.459 -12.131 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.165 -12.570 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.457 -11.456 -1.874 1.00 0.00 H new ATOM 200 N CYS A 13 4.138 -9.711 -5.132 1.00 0.00 N ATOM 201 CA CYS A 13 3.305 -9.568 -6.323 1.00 0.00 C ATOM 202 C CYS A 13 2.821 -10.933 -6.811 1.00 0.00 C ATOM 203 O CYS A 13 3.223 -11.969 -6.273 1.00 0.00 O ATOM 204 CB CYS A 13 4.088 -8.856 -7.427 1.00 0.00 C ATOM 205 SG CYS A 13 4.675 -7.192 -6.965 1.00 0.00 S ATOM 0 H CYS A 13 4.952 -10.311 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 13 2.432 -8.969 -6.066 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.946 -9.469 -7.703 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.456 -8.775 -8.312 1.00 0.00 H new ATOM 210 N ALA A 14 1.957 -10.924 -7.830 1.00 0.00 N ATOM 211 CA ALA A 14 1.413 -12.157 -8.397 1.00 0.00 C ATOM 212 C ALA A 14 2.423 -12.833 -9.320 1.00 0.00 C ATOM 213 O ALA A 14 2.446 -14.061 -9.434 1.00 0.00 O ATOM 214 CB ALA A 14 0.120 -11.868 -9.143 1.00 0.00 C ATOM 0 H ALA A 14 1.620 -10.073 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 14 1.200 -12.842 -7.576 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.274 -12.795 -9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.609 -11.441 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.315 -11.161 -9.950 1.00 0.00 H new ATOM 220 N ASP A 15 3.258 -12.020 -9.969 1.00 0.00 N ATOM 221 CA ASP A 15 4.285 -12.521 -10.881 1.00 0.00 C ATOM 222 C ASP A 15 5.547 -11.658 -10.812 1.00 0.00 C ATOM 223 O ASP A 15 5.566 -10.630 -10.130 1.00 0.00 O ATOM 224 CB ASP A 15 3.753 -12.601 -12.328 1.00 0.00 C ATOM 225 CG ASP A 15 3.157 -11.300 -12.856 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.045 -10.321 -12.089 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.788 -11.269 -14.049 1.00 0.00 O ATOM 0 H ASP A 15 3.242 -11.004 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 15 4.548 -13.530 -10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.568 -12.905 -12.985 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.993 -13.381 -12.380 1.00 0.00 H new ATOM 232 N GLN A 16 6.601 -12.098 -11.511 1.00 0.00 N ATOM 233 CA GLN A 16 7.889 -11.395 -11.534 1.00 0.00 C ATOM 234 C GLN A 16 7.773 -10.007 -12.185 1.00 0.00 C ATOM 235 O GLN A 16 8.620 -9.138 -11.962 1.00 0.00 O ATOM 236 CB GLN A 16 8.927 -12.253 -12.272 1.00 0.00 C ATOM 237 CG GLN A 16 10.361 -11.756 -12.141 1.00 0.00 C ATOM 238 CD GLN A 16 11.354 -12.630 -12.884 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.496 -13.818 -12.589 1.00 0.00 O ATOM 240 NE2 GLN A 16 12.049 -12.046 -13.852 1.00 0.00 N ATOM 0 H GLN A 16 6.585 -12.948 -12.074 1.00 0.00 H new ATOM 0 HA GLN A 16 8.210 -11.239 -10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.873 -13.273 -11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.664 -12.291 -13.329 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.424 -10.737 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.634 -11.719 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.900 -11.059 -14.063 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.733 -12.584 -14.385 1.00 0.00 H new ATOM 249 N GLU A 17 6.718 -9.804 -12.975 1.00 0.00 N ATOM 250 CA GLU A 17 6.493 -8.522 -13.644 1.00 0.00 C ATOM 251 C GLU A 17 5.691 -7.583 -12.755 1.00 0.00 C ATOM 252 O GLU A 17 5.714 -6.364 -12.956 1.00 0.00 O ATOM 253 CB GLU A 17 5.724 -8.720 -14.958 1.00 0.00 C ATOM 254 CG GLU A 17 6.387 -9.674 -15.933 1.00 0.00 C ATOM 255 CD GLU A 17 5.641 -9.777 -17.250 1.00 0.00 C ATOM 256 OE1 GLU A 17 4.466 -10.198 -17.238 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.235 -9.436 -18.295 1.00 0.00 O ATOM 0 H GLU A 17 6.007 -10.510 -13.167 1.00 0.00 H new ATOM 0 HA GLU A 17 7.471 -8.088 -13.852 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.725 -9.091 -14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.601 -7.751 -15.443 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.407 -9.342 -16.123 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.453 -10.663 -15.479 1.00 0.00 H new ATOM 264 N CYS A 18 4.954 -8.174 -11.797 1.00 0.00 N ATOM 265 CA CYS A 18 4.087 -7.430 -10.871 1.00 0.00 C ATOM 266 C CYS A 18 3.062 -6.615 -11.670 1.00 0.00 C ATOM 267 O CYS A 18 2.592 -5.558 -11.239 1.00 0.00 O ATOM 268 CB CYS A 18 4.909 -6.537 -9.928 1.00 0.00 C ATOM 269 SG CYS A 18 3.995 -5.982 -8.449 1.00 0.00 S ATOM 0 H CYS A 18 4.944 -9.183 -11.645 1.00 0.00 H new ATOM 0 HA CYS A 18 3.552 -8.141 -10.241 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.798 -7.082 -9.610 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.252 -5.662 -10.480 1.00 0.00 H new ATOM 274 N SER A 19 2.737 -7.141 -12.854 1.00 0.00 N ATOM 275 CA SER A 19 1.790 -6.520 -13.771 1.00 0.00 C ATOM 276 C SER A 19 0.378 -7.068 -13.554 1.00 0.00 C ATOM 277 O SER A 19 -0.596 -6.538 -14.097 1.00 0.00 O ATOM 278 CB SER A 19 2.261 -6.754 -15.207 1.00 0.00 C ATOM 279 OG SER A 19 1.270 -6.384 -16.153 1.00 0.00 O ATOM 0 H SER A 19 3.129 -8.016 -13.201 1.00 0.00 H new ATOM 0 HA SER A 19 1.750 -5.448 -13.579 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.170 -6.181 -15.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.515 -7.806 -15.339 1.00 0.00 H new ATOM 0 HG SER A 19 0.388 -6.404 -15.727 1.00 0.00 H new ATOM 285 N HIS A 20 0.279 -8.124 -12.744 1.00 0.00 N ATOM 286 CA HIS A 20 -1.002 -8.753 -12.432 1.00 0.00 C ATOM 287 C HIS A 20 -1.578 -8.228 -11.108 1.00 0.00 C ATOM 288 O HIS A 20 -0.819 -7.920 -10.187 1.00 0.00 O ATOM 289 CB HIS A 20 -0.838 -10.274 -12.338 1.00 0.00 C ATOM 290 CG HIS A 20 -1.043 -11.030 -13.622 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.090 -12.404 -13.659 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.241 -10.617 -14.902 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.311 -12.808 -14.893 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.405 -11.743 -15.670 1.00 0.00 N ATOM 0 H HIS A 20 1.080 -8.563 -12.290 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.693 -8.503 -13.237 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.163 -10.491 -11.965 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.543 -10.652 -11.598 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.265 -9.595 -15.250 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.400 -13.835 -15.215 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.572 -11.756 -16.676 1.00 0.00 H new ATOM 303 N PRO A 21 -2.935 -8.136 -10.977 1.00 0.00 N ATOM 304 CA PRO A 21 -3.580 -7.672 -9.756 1.00 0.00 C ATOM 305 C PRO A 21 -3.867 -8.829 -8.799 1.00 0.00 C ATOM 306 O PRO A 21 -4.578 -9.777 -9.150 1.00 0.00 O ATOM 307 CB PRO A 21 -4.880 -7.043 -10.264 1.00 0.00 C ATOM 308 CG PRO A 21 -5.149 -7.657 -11.610 1.00 0.00 C ATOM 309 CD PRO A 21 -3.949 -8.491 -11.989 1.00 0.00 C ATOM 0 HA PRO A 21 -2.960 -6.978 -9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.702 -7.240 -9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.783 -5.960 -10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.047 -8.274 -11.575 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.325 -6.881 -12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.180 -9.556 -11.967 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.605 -8.261 -12.997 1.00 0.00 H new ATOM 317 N ILE A 22 -3.297 -8.756 -7.596 1.00 0.00 N ATOM 318 CA ILE A 22 -3.479 -9.808 -6.598 1.00 0.00 C ATOM 319 C ILE A 22 -4.927 -9.885 -6.124 1.00 0.00 C ATOM 320 O ILE A 22 -5.593 -10.889 -6.353 1.00 0.00 O ATOM 321 CB ILE A 22 -2.552 -9.617 -5.369 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.090 -9.490 -5.819 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.718 -10.787 -4.393 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.152 -9.012 -4.730 1.00 0.00 C ATOM 0 H ILE A 22 -2.707 -7.982 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.212 -10.742 -7.093 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.834 -8.698 -4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.746 -10.459 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.038 -8.798 -6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.062 -10.641 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.753 -10.834 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.457 -11.719 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.862 -8.948 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.469 -8.029 -4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.173 -9.715 -3.897 1.00 0.00 H new ATOM 336 N SER A 23 -5.400 -8.836 -5.453 1.00 0.00 N ATOM 337 CA SER A 23 -6.764 -8.822 -4.939 1.00 0.00 C ATOM 338 C SER A 23 -7.433 -7.468 -5.132 1.00 0.00 C ATOM 339 O SER A 23 -6.810 -6.417 -4.956 1.00 0.00 O ATOM 340 CB SER A 23 -6.772 -9.191 -3.455 1.00 0.00 C ATOM 341 OG SER A 23 -6.213 -10.475 -3.243 1.00 0.00 O ATOM 0 H SER A 23 -4.862 -7.992 -5.255 1.00 0.00 H new ATOM 0 HA SER A 23 -7.331 -9.560 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.209 -8.448 -2.890 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.794 -9.170 -3.078 1.00 0.00 H new ATOM 0 HG SER A 23 -6.213 -10.678 -2.284 1.00 0.00 H new ATOM 347 N MET A 24 -8.719 -7.518 -5.469 1.00 0.00 N ATOM 348 CA MET A 24 -9.527 -6.324 -5.665 1.00 0.00 C ATOM 349 C MET A 24 -10.167 -5.943 -4.331 1.00 0.00 C ATOM 350 O MET A 24 -10.976 -6.700 -3.787 1.00 0.00 O ATOM 351 CB MET A 24 -10.586 -6.593 -6.737 1.00 0.00 C ATOM 352 CG MET A 24 -11.381 -5.365 -7.146 1.00 0.00 C ATOM 353 SD MET A 24 -12.922 -5.175 -6.221 1.00 0.00 S ATOM 354 CE MET A 24 -13.879 -6.549 -6.857 1.00 0.00 C ATOM 0 H MET A 24 -9.228 -8.390 -5.613 1.00 0.00 H new ATOM 0 HA MET A 24 -8.909 -5.493 -6.007 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.097 -7.007 -7.619 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.275 -7.353 -6.369 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.766 -4.477 -7.001 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.609 -5.425 -8.210 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.942 -6.340 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.657 -6.688 -7.915 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.621 -7.456 -6.310 1.00 0.00 H new ATOM 364 N ALA A 25 -9.778 -4.786 -3.795 1.00 0.00 N ATOM 365 CA ALA A 25 -10.293 -4.330 -2.506 1.00 0.00 C ATOM 366 C ALA A 25 -11.111 -3.051 -2.629 1.00 0.00 C ATOM 367 O ALA A 25 -10.812 -2.185 -3.455 1.00 0.00 O ATOM 368 CB ALA A 25 -9.143 -4.127 -1.530 1.00 0.00 C ATOM 0 H ALA A 25 -9.111 -4.150 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.962 -5.104 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.535 -3.787 -0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.613 -5.069 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.457 -3.379 -1.927 1.00 0.00 H new ATOM 374 N VAL A 26 -12.142 -2.949 -1.792 1.00 0.00 N ATOM 375 CA VAL A 26 -13.026 -1.778 -1.777 1.00 0.00 C ATOM 376 C VAL A 26 -12.576 -0.775 -0.705 1.00 0.00 C ATOM 377 O VAL A 26 -12.153 -1.173 0.384 1.00 0.00 O ATOM 378 CB VAL A 26 -14.500 -2.196 -1.519 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.444 -1.004 -1.644 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.922 -3.301 -2.478 1.00 0.00 C ATOM 0 H VAL A 26 -12.389 -3.666 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.965 -1.303 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.561 -2.574 -0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.468 -1.329 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.167 -0.243 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.373 -0.587 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.957 -3.579 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.831 -2.946 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.280 -4.170 -2.337 1.00 0.00 H new ATOM 390 N ALA A 27 -12.671 0.524 -1.027 1.00 0.00 N ATOM 391 CA ALA A 27 -12.276 1.591 -0.099 1.00 0.00 C ATOM 392 C ALA A 27 -13.411 1.937 0.863 1.00 0.00 C ATOM 393 O ALA A 27 -14.570 2.053 0.455 1.00 0.00 O ATOM 394 CB ALA A 27 -11.845 2.828 -0.868 1.00 0.00 C ATOM 0 H ALA A 27 -13.019 0.860 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.433 1.228 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.555 3.610 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.997 2.582 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.673 3.181 -1.483 1.00 0.00 H new ATOM 400 N LEU A 28 -13.064 2.086 2.146 1.00 0.00 N ATOM 401 CA LEU A 28 -14.043 2.401 3.189 1.00 0.00 C ATOM 402 C LEU A 28 -14.047 3.880 3.571 1.00 0.00 C ATOM 403 O LEU A 28 -15.010 4.353 4.182 1.00 0.00 O ATOM 404 CB LEU A 28 -13.778 1.552 4.451 1.00 0.00 C ATOM 405 CG LEU A 28 -14.314 0.101 4.452 1.00 0.00 C ATOM 406 CD1 LEU A 28 -15.825 0.067 4.241 1.00 0.00 C ATOM 407 CD2 LEU A 28 -13.603 -0.753 3.413 1.00 0.00 C ATOM 0 H LEU A 28 -12.107 1.993 2.487 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.022 2.163 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.701 1.514 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.211 2.073 5.305 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.103 -0.322 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -16.170 -0.967 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -16.317 0.618 5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -16.069 0.525 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.003 -1.767 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.760 -0.327 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.535 -0.778 3.632 1.00 0.00 H new ATOM 419 N GLN A 29 -12.977 4.608 3.233 1.00 0.00 N ATOM 420 CA GLN A 29 -12.889 6.034 3.570 1.00 0.00 C ATOM 421 C GLN A 29 -12.045 6.821 2.566 1.00 0.00 C ATOM 422 O GLN A 29 -11.524 6.261 1.598 1.00 0.00 O ATOM 423 CB GLN A 29 -12.333 6.214 4.991 1.00 0.00 C ATOM 424 CG GLN A 29 -11.011 5.495 5.242 1.00 0.00 C ATOM 425 CD GLN A 29 -10.410 5.769 6.622 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.426 5.137 7.007 1.00 0.00 O ATOM 427 NE2 GLN A 29 -10.977 6.716 7.373 1.00 0.00 N ATOM 0 H GLN A 29 -12.168 4.239 2.732 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.901 6.437 3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.197 7.278 5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.072 5.853 5.706 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.165 4.422 5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.294 5.796 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.792 7.222 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.596 6.933 8.294 1.00 0.00 H new ATOM 436 N ASP A 30 -11.929 8.133 2.813 1.00 0.00 N ATOM 437 CA ASP A 30 -11.164 9.035 1.950 1.00 0.00 C ATOM 438 C ASP A 30 -9.695 9.083 2.359 1.00 0.00 C ATOM 439 O ASP A 30 -9.356 8.844 3.521 1.00 0.00 O ATOM 440 CB ASP A 30 -11.755 10.447 2.008 1.00 0.00 C ATOM 441 CG ASP A 30 -13.187 10.507 1.513 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.414 10.238 0.315 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.083 10.823 2.324 1.00 0.00 O ATOM 0 H ASP A 30 -12.362 8.594 3.613 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.226 8.651 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.715 10.810 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.140 11.118 1.408 1.00 0.00 H new ATOM 448 N TYR A 31 -8.833 9.406 1.391 1.00 0.00 N ATOM 449 CA TYR A 31 -7.396 9.506 1.625 1.00 0.00 C ATOM 450 C TYR A 31 -6.769 10.517 0.666 1.00 0.00 C ATOM 451 O TYR A 31 -6.974 10.434 -0.548 1.00 0.00 O ATOM 452 CB TYR A 31 -6.715 8.141 1.441 1.00 0.00 C ATOM 453 CG TYR A 31 -5.354 8.049 2.105 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.236 7.894 3.483 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.186 8.119 1.352 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.997 7.813 4.088 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.945 8.039 1.952 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.856 7.886 3.320 1.00 0.00 C ATOM 459 OH TYR A 31 -1.622 7.808 3.921 1.00 0.00 O ATOM 0 H TYR A 31 -9.112 9.604 0.430 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.248 9.840 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.362 7.363 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.605 7.940 0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.128 7.836 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.251 8.238 0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.923 7.693 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.048 8.096 1.353 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.935 7.654 3.239 1.00 0.00 H new ATOM 469 N MET A 32 -5.996 11.456 1.219 1.00 0.00 N ATOM 470 CA MET A 32 -5.323 12.477 0.415 1.00 0.00 C ATOM 471 C MET A 32 -3.828 12.184 0.321 1.00 0.00 C ATOM 472 O MET A 32 -3.164 11.969 1.338 1.00 0.00 O ATOM 473 CB MET A 32 -5.554 13.869 1.006 1.00 0.00 C ATOM 474 CG MET A 32 -7.001 14.319 0.942 1.00 0.00 C ATOM 475 SD MET A 32 -7.267 15.932 1.700 1.00 0.00 S ATOM 476 CE MET A 32 -9.014 16.163 1.381 1.00 0.00 C ATOM 0 H MET A 32 -5.821 11.529 2.221 1.00 0.00 H new ATOM 0 HA MET A 32 -5.746 12.454 -0.589 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.226 13.873 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.933 14.589 0.473 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.319 14.356 -0.100 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.628 13.581 1.441 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.335 17.121 1.790 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.192 16.150 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.579 15.359 1.853 1.00 0.00 H new ATOM 486 N ALA A 33 -3.314 12.156 -0.910 1.00 0.00 N ATOM 487 CA ALA A 33 -1.902 11.863 -1.155 1.00 0.00 C ATOM 488 C ALA A 33 -1.055 13.131 -1.329 1.00 0.00 C ATOM 489 O ALA A 33 -1.306 13.916 -2.248 1.00 0.00 O ATOM 490 CB ALA A 33 -1.769 10.999 -2.391 1.00 0.00 C ATOM 0 H ALA A 33 -3.857 12.333 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.527 11.338 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.716 10.782 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.312 10.065 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.183 11.527 -3.250 1.00 0.00 H new ATOM 496 N PRO A 34 -0.022 13.351 -0.467 1.00 0.00 N ATOM 497 CA PRO A 34 0.854 14.518 -0.569 1.00 0.00 C ATOM 498 C PRO A 34 1.921 14.334 -1.656 1.00 0.00 C ATOM 499 O PRO A 34 1.928 15.054 -2.655 1.00 0.00 O ATOM 500 CB PRO A 34 1.507 14.622 0.821 1.00 0.00 C ATOM 501 CG PRO A 34 0.938 13.500 1.634 1.00 0.00 C ATOM 502 CD PRO A 34 0.392 12.498 0.659 1.00 0.00 C ATOM 0 HA PRO A 34 0.304 15.416 -0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.591 14.540 0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.290 15.586 1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.706 13.050 2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.153 13.862 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.145 11.768 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.446 11.939 1.076 1.00 0.00 H new ATOM 510 N ASP A 35 2.816 13.356 -1.449 1.00 0.00 N ATOM 511 CA ASP A 35 3.886 13.059 -2.405 1.00 0.00 C ATOM 512 C ASP A 35 3.456 11.986 -3.412 1.00 0.00 C ATOM 513 O ASP A 35 2.404 11.357 -3.252 1.00 0.00 O ATOM 514 CB ASP A 35 5.163 12.637 -1.666 1.00 0.00 C ATOM 515 CG ASP A 35 4.928 11.520 -0.668 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.516 10.423 -1.092 1.00 0.00 O ATOM 517 OD2 ASP A 35 5.156 11.745 0.539 1.00 0.00 O ATOM 0 H ASP A 35 2.817 12.757 -0.623 1.00 0.00 H new ATOM 0 HA ASP A 35 4.096 13.969 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.908 12.316 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.577 13.501 -1.146 1.00 0.00 H new ATOM 522 N CYS A 36 4.280 11.793 -4.453 1.00 0.00 N ATOM 523 CA CYS A 36 4.004 10.818 -5.515 1.00 0.00 C ATOM 524 C CYS A 36 4.002 9.365 -5.014 1.00 0.00 C ATOM 525 O CYS A 36 3.538 8.469 -5.726 1.00 0.00 O ATOM 526 CB CYS A 36 5.033 10.977 -6.643 1.00 0.00 C ATOM 527 SG CYS A 36 4.646 10.036 -8.159 1.00 0.00 S ATOM 0 H CYS A 36 5.152 12.307 -4.581 1.00 0.00 H new ATOM 0 HA CYS A 36 3.000 11.026 -5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.114 12.034 -6.897 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.009 10.662 -6.274 1.00 0.00 H new ATOM 532 N ARG A 37 4.513 9.120 -3.801 1.00 0.00 N ATOM 533 CA ARG A 37 4.551 7.773 -3.256 1.00 0.00 C ATOM 534 C ARG A 37 3.166 7.342 -2.754 1.00 0.00 C ATOM 535 O ARG A 37 2.830 6.160 -2.799 1.00 0.00 O ATOM 536 CB ARG A 37 5.617 7.681 -2.150 1.00 0.00 C ATOM 537 CG ARG A 37 5.634 6.352 -1.422 1.00 0.00 C ATOM 538 CD ARG A 37 6.896 6.153 -0.594 1.00 0.00 C ATOM 539 NE ARG A 37 6.968 7.033 0.573 1.00 0.00 N ATOM 540 CZ ARG A 37 6.217 6.911 1.673 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.313 5.941 1.784 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.378 7.766 2.674 1.00 0.00 N ATOM 0 H ARG A 37 4.901 9.837 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 37 4.830 7.080 -4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.599 7.856 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.446 8.478 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.763 6.288 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.549 5.543 -2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.944 5.116 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.767 6.326 -1.225 1.00 0.00 H new ATOM 0 HE ARG A 37 7.642 7.798 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.184 5.275 1.023 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.749 5.864 2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.071 8.511 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.809 7.679 3.516 1.00 0.00 H new ATOM 556 N PHE A 38 2.352 8.296 -2.300 1.00 0.00 N ATOM 557 CA PHE A 38 1.010 7.964 -1.821 1.00 0.00 C ATOM 558 C PHE A 38 -0.025 8.123 -2.936 1.00 0.00 C ATOM 559 O PHE A 38 0.220 8.816 -3.926 1.00 0.00 O ATOM 560 CB PHE A 38 0.626 8.812 -0.600 1.00 0.00 C ATOM 561 CG PHE A 38 1.332 8.419 0.679 1.00 0.00 C ATOM 562 CD1 PHE A 38 0.799 7.441 1.506 1.00 0.00 C ATOM 563 CD2 PHE A 38 2.520 9.027 1.055 1.00 0.00 C ATOM 564 CE1 PHE A 38 1.435 7.079 2.678 1.00 0.00 C ATOM 565 CE2 PHE A 38 3.157 8.671 2.228 1.00 0.00 C ATOM 566 CZ PHE A 38 2.614 7.697 3.040 1.00 0.00 C ATOM 0 H PHE A 38 2.592 9.286 -2.254 1.00 0.00 H new ATOM 0 HA PHE A 38 1.021 6.919 -1.512 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.845 9.858 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.450 8.737 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.126 6.956 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.953 9.788 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.010 6.313 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.080 9.155 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.111 7.419 3.958 1.00 0.00 H new ATOM 576 N LEU A 39 -1.178 7.464 -2.767 1.00 0.00 N ATOM 577 CA LEU A 39 -2.265 7.508 -3.753 1.00 0.00 C ATOM 578 C LEU A 39 -3.539 8.101 -3.138 1.00 0.00 C ATOM 579 O LEU A 39 -3.882 7.793 -1.995 1.00 0.00 O ATOM 580 CB LEU A 39 -2.538 6.088 -4.285 1.00 0.00 C ATOM 581 CG LEU A 39 -3.681 5.942 -5.310 1.00 0.00 C ATOM 582 CD1 LEU A 39 -3.333 6.616 -6.632 1.00 0.00 C ATOM 583 CD2 LEU A 39 -3.992 4.472 -5.543 1.00 0.00 C ATOM 0 H LEU A 39 -1.383 6.889 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.961 8.150 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.622 5.713 -4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.758 5.442 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.562 6.437 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.160 6.494 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.154 7.678 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.435 6.159 -7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.801 4.382 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.104 3.968 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.295 4.011 -4.603 1.00 0.00 H new ATOM 595 N THR A 40 -4.235 8.945 -3.912 1.00 0.00 N ATOM 596 CA THR A 40 -5.477 9.573 -3.453 1.00 0.00 C ATOM 597 C THR A 40 -6.662 8.670 -3.786 1.00 0.00 C ATOM 598 O THR A 40 -6.881 8.324 -4.950 1.00 0.00 O ATOM 599 CB THR A 40 -5.652 10.960 -4.095 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.558 11.799 -3.778 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.914 11.684 -3.662 1.00 0.00 C ATOM 0 H THR A 40 -3.957 9.207 -4.858 1.00 0.00 H new ATOM 0 HA THR A 40 -5.429 9.708 -2.372 1.00 0.00 H new ATOM 0 HB THR A 40 -5.716 10.765 -5.166 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.686 12.676 -4.196 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.965 12.654 -4.157 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.786 11.090 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.898 11.829 -2.582 1.00 0.00 H new ATOM 609 N ILE A 41 -7.402 8.272 -2.749 1.00 0.00 N ATOM 610 CA ILE A 41 -8.554 7.379 -2.913 1.00 0.00 C ATOM 611 C ILE A 41 -9.807 7.960 -2.251 1.00 0.00 C ATOM 612 O ILE A 41 -9.731 8.534 -1.167 1.00 0.00 O ATOM 613 CB ILE A 41 -8.255 5.977 -2.306 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.975 5.385 -2.924 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.437 5.031 -2.524 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.458 4.143 -2.224 1.00 0.00 C ATOM 0 H ILE A 41 -7.225 8.554 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.737 7.279 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.102 6.095 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.169 5.144 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.195 6.146 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.208 4.057 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.325 5.441 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.622 4.920 -3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.555 3.793 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.229 4.380 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.218 3.362 -2.259 1.00 0.00 H new ATOM 628 N HIS A 42 -10.959 7.786 -2.906 1.00 0.00 N ATOM 629 CA HIS A 42 -12.233 8.271 -2.375 1.00 0.00 C ATOM 630 C HIS A 42 -13.042 7.114 -1.792 1.00 0.00 C ATOM 631 O HIS A 42 -12.862 5.955 -2.183 1.00 0.00 O ATOM 632 CB HIS A 42 -13.047 8.992 -3.463 1.00 0.00 C ATOM 633 CG HIS A 42 -12.474 10.311 -3.925 1.00 0.00 C ATOM 634 ND1 HIS A 42 -13.053 11.057 -4.931 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.388 11.022 -3.516 1.00 0.00 C ATOM 636 CE1 HIS A 42 -12.352 12.162 -5.120 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.340 12.165 -4.275 1.00 0.00 N ATOM 0 H HIS A 42 -11.034 7.312 -3.806 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.016 8.986 -1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.137 8.331 -4.325 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.055 9.164 -3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.693 10.740 -2.739 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.571 12.932 -5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.635 12.898 -4.198 1.00 0.00 H new ATOM 646 N ARG A 43 -13.923 7.445 -0.847 1.00 0.00 N ATOM 647 CA ARG A 43 -14.769 6.458 -0.174 1.00 0.00 C ATOM 648 C ARG A 43 -15.743 5.787 -1.146 1.00 0.00 C ATOM 649 O ARG A 43 -16.551 6.461 -1.792 1.00 0.00 O ATOM 650 CB ARG A 43 -15.541 7.140 0.966 1.00 0.00 C ATOM 651 CG ARG A 43 -16.355 6.185 1.827 1.00 0.00 C ATOM 652 CD ARG A 43 -17.110 6.921 2.928 1.00 0.00 C ATOM 653 NE ARG A 43 -18.091 7.878 2.399 1.00 0.00 N ATOM 654 CZ ARG A 43 -19.242 7.540 1.802 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.606 6.266 1.676 1.00 0.00 N ATOM 656 NH2 ARG A 43 -20.042 8.491 1.337 1.00 0.00 N ATOM 0 H ARG A 43 -14.070 8.402 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.125 5.677 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.833 7.671 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.210 7.888 0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -17.063 5.644 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.693 5.443 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.621 6.195 3.561 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.397 7.450 3.561 1.00 0.00 H new ATOM 0 HE ARG A 43 -17.881 8.872 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -19.005 5.526 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -20.486 6.030 1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.779 9.472 1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.920 8.241 0.881 1.00 0.00 H new ATOM 670 N GLY A 44 -15.667 4.455 -1.225 1.00 0.00 N ATOM 671 CA GLY A 44 -16.554 3.702 -2.100 1.00 0.00 C ATOM 672 C GLY A 44 -15.947 3.356 -3.448 1.00 0.00 C ATOM 673 O GLY A 44 -16.576 2.650 -4.240 1.00 0.00 O ATOM 0 H GLY A 44 -15.005 3.886 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.846 2.780 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.464 4.279 -2.261 1.00 0.00 H new ATOM 677 N GLN A 45 -14.733 3.848 -3.723 1.00 0.00 N ATOM 678 CA GLN A 45 -14.073 3.569 -5.000 1.00 0.00 C ATOM 679 C GLN A 45 -13.404 2.197 -5.007 1.00 0.00 C ATOM 680 O GLN A 45 -13.000 1.680 -3.961 1.00 0.00 O ATOM 681 CB GLN A 45 -13.039 4.644 -5.337 1.00 0.00 C ATOM 682 CG GLN A 45 -13.650 5.974 -5.748 1.00 0.00 C ATOM 683 CD GLN A 45 -12.645 6.896 -6.416 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.605 7.222 -5.845 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.953 7.323 -7.636 1.00 0.00 N ATOM 0 H GLN A 45 -14.194 4.434 -3.085 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.853 3.575 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.397 4.802 -4.471 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.402 4.282 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.481 5.793 -6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -14.062 6.468 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.826 7.029 -8.074 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.316 7.945 -8.134 1.00 0.00 H new ATOM 694 N VAL A 46 -13.291 1.625 -6.208 1.00 0.00 N ATOM 695 CA VAL A 46 -12.668 0.317 -6.405 1.00 0.00 C ATOM 696 C VAL A 46 -11.171 0.490 -6.645 1.00 0.00 C ATOM 697 O VAL A 46 -10.771 1.254 -7.523 1.00 0.00 O ATOM 698 CB VAL A 46 -13.290 -0.422 -7.618 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.802 -1.860 -7.691 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.810 -0.372 -7.571 1.00 0.00 C ATOM 0 H VAL A 46 -13.629 2.056 -7.069 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.840 -0.276 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.963 0.093 -8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.254 -2.354 -8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.717 -1.871 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.085 -2.387 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.218 -0.898 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.162 -0.848 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.141 0.666 -7.590 1.00 0.00 H new ATOM 710 N VAL A 47 -10.348 -0.212 -5.860 1.00 0.00 N ATOM 711 CA VAL A 47 -8.892 -0.118 -5.998 1.00 0.00 C ATOM 712 C VAL A 47 -8.266 -1.505 -6.150 1.00 0.00 C ATOM 713 O VAL A 47 -8.533 -2.406 -5.353 1.00 0.00 O ATOM 714 CB VAL A 47 -8.237 0.604 -4.790 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.794 0.981 -5.102 1.00 0.00 C ATOM 716 CG2 VAL A 47 -9.027 1.841 -4.385 1.00 0.00 C ATOM 0 H VAL A 47 -10.663 -0.848 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.704 0.470 -6.896 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.244 -0.092 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.356 1.486 -4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.222 0.080 -5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.770 1.648 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.540 2.322 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.067 2.537 -5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.040 1.551 -4.106 1.00 0.00 H new ATOM 726 N TYR A 48 -7.429 -1.660 -7.180 1.00 0.00 N ATOM 727 CA TYR A 48 -6.754 -2.930 -7.448 1.00 0.00 C ATOM 728 C TYR A 48 -5.357 -2.937 -6.829 1.00 0.00 C ATOM 729 O TYR A 48 -4.554 -2.031 -7.080 1.00 0.00 O ATOM 730 CB TYR A 48 -6.651 -3.196 -8.962 1.00 0.00 C ATOM 731 CG TYR A 48 -7.963 -3.544 -9.658 1.00 0.00 C ATOM 732 CD1 TYR A 48 -9.069 -2.695 -9.617 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.082 -4.727 -10.376 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.245 -3.022 -10.263 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.256 -5.057 -11.027 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.333 -4.202 -10.967 1.00 0.00 C ATOM 737 OH TYR A 48 -11.503 -4.528 -11.612 1.00 0.00 O ATOM 0 H TYR A 48 -7.203 -0.918 -7.843 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.350 -3.722 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.229 -2.312 -9.441 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.947 -4.012 -9.123 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.005 -1.766 -9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.241 -5.402 -10.427 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.093 -2.354 -10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.328 -5.982 -11.580 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.398 -5.392 -12.062 1.00 0.00 H new ATOM 747 N VAL A 49 -5.076 -3.965 -6.023 1.00 0.00 N ATOM 748 CA VAL A 49 -3.777 -4.104 -5.362 1.00 0.00 C ATOM 749 C VAL A 49 -2.816 -4.905 -6.242 1.00 0.00 C ATOM 750 O VAL A 49 -3.165 -5.979 -6.731 1.00 0.00 O ATOM 751 CB VAL A 49 -3.913 -4.797 -3.980 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.586 -4.795 -3.229 1.00 0.00 C ATOM 753 CG2 VAL A 49 -4.997 -4.130 -3.143 1.00 0.00 C ATOM 0 H VAL A 49 -5.734 -4.715 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.380 -3.101 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.201 -5.833 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.713 -5.287 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.837 -5.329 -3.813 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.259 -3.767 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.074 -4.633 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.742 -3.082 -2.986 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.952 -4.197 -3.664 1.00 0.00 H new ATOM 763 N PHE A 50 -1.609 -4.368 -6.441 1.00 0.00 N ATOM 764 CA PHE A 50 -0.593 -5.023 -7.266 1.00 0.00 C ATOM 765 C PHE A 50 0.584 -5.523 -6.426 1.00 0.00 C ATOM 766 O PHE A 50 1.153 -6.576 -6.722 1.00 0.00 O ATOM 767 CB PHE A 50 -0.079 -4.073 -8.359 1.00 0.00 C ATOM 768 CG PHE A 50 -1.036 -3.867 -9.510 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.189 -3.105 -9.361 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.777 -4.441 -10.745 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.058 -2.925 -10.419 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.644 -4.261 -11.805 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.786 -3.503 -11.642 1.00 0.00 C ATOM 0 H PHE A 50 -1.312 -3.478 -6.040 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.070 -5.884 -7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.141 -3.105 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.861 -4.463 -8.750 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.408 -2.649 -8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.114 -5.036 -10.880 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.951 -2.332 -10.289 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.428 -4.713 -12.762 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.465 -3.363 -12.470 1.00 0.00 H new ATOM 783 N SER A 51 0.952 -4.762 -5.387 1.00 0.00 N ATOM 784 CA SER A 51 2.074 -5.139 -4.521 1.00 0.00 C ATOM 785 C SER A 51 1.751 -4.943 -3.043 1.00 0.00 C ATOM 786 O SER A 51 1.033 -4.013 -2.669 1.00 0.00 O ATOM 787 CB SER A 51 3.320 -4.324 -4.877 1.00 0.00 C ATOM 788 OG SER A 51 3.062 -2.932 -4.795 1.00 0.00 O ATOM 0 H SER A 51 0.493 -3.889 -5.128 1.00 0.00 H new ATOM 0 HA SER A 51 2.262 -6.199 -4.689 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.135 -4.586 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.648 -4.577 -5.885 1.00 0.00 H new ATOM 0 HG SER A 51 3.874 -2.435 -5.025 1.00 0.00 H new ATOM 794 N LYS A 52 2.311 -5.826 -2.208 1.00 0.00 N ATOM 795 CA LYS A 52 2.120 -5.770 -0.756 1.00 0.00 C ATOM 796 C LYS A 52 3.478 -5.867 -0.061 1.00 0.00 C ATOM 797 O LYS A 52 4.124 -6.917 -0.107 1.00 0.00 O ATOM 798 CB LYS A 52 1.208 -6.908 -0.266 1.00 0.00 C ATOM 799 CG LYS A 52 -0.085 -7.061 -1.053 1.00 0.00 C ATOM 800 CD LYS A 52 -0.924 -8.216 -0.529 1.00 0.00 C ATOM 801 CE LYS A 52 -2.204 -8.383 -1.332 1.00 0.00 C ATOM 802 NZ LYS A 52 -3.021 -9.527 -0.840 1.00 0.00 N ATOM 0 H LYS A 52 2.906 -6.595 -2.518 1.00 0.00 H new ATOM 0 HA LYS A 52 1.640 -4.822 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.761 -7.846 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.963 -6.735 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.660 -6.137 -0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.146 -7.226 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.344 -9.138 -0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.170 -8.043 0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.791 -7.466 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.957 -8.538 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.344 -10.096 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.445 -10.119 -0.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.846 -9.166 -0.320 1.00 0.00 H new ATOM 816 N LEU A 53 3.915 -4.773 0.573 1.00 0.00 N ATOM 817 CA LEU A 53 5.212 -4.755 1.259 1.00 0.00 C ATOM 818 C LEU A 53 5.180 -5.609 2.522 1.00 0.00 C ATOM 819 O LEU A 53 4.113 -5.833 3.098 1.00 0.00 O ATOM 820 CB LEU A 53 5.621 -3.324 1.637 1.00 0.00 C ATOM 821 CG LEU A 53 5.609 -2.277 0.512 1.00 0.00 C ATOM 822 CD1 LEU A 53 6.001 -0.922 1.073 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.544 -2.658 -0.629 1.00 0.00 C ATOM 0 H LEU A 53 3.396 -3.897 0.625 1.00 0.00 H new ATOM 0 HA LEU A 53 5.943 -5.167 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.956 -2.979 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.626 -3.358 2.058 1.00 0.00 H new ATOM 0 HG LEU A 53 4.598 -2.233 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.992 -0.181 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.291 -0.630 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.001 -0.981 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.505 -1.891 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.563 -2.741 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.234 -3.614 -1.050 1.00 0.00 H new ATOM 835 N LYS A 54 6.359 -6.074 2.952 1.00 0.00 N ATOM 836 CA LYS A 54 6.463 -6.897 4.161 1.00 0.00 C ATOM 837 C LYS A 54 7.660 -6.471 5.015 1.00 0.00 C ATOM 838 O LYS A 54 8.499 -5.681 4.573 1.00 0.00 O ATOM 839 CB LYS A 54 6.571 -8.389 3.802 1.00 0.00 C ATOM 840 CG LYS A 54 7.880 -8.785 3.150 1.00 0.00 C ATOM 841 CD LYS A 54 7.952 -10.287 2.961 1.00 0.00 C ATOM 842 CE LYS A 54 8.299 -10.641 1.533 1.00 0.00 C ATOM 843 NZ LYS A 54 9.670 -10.193 1.163 1.00 0.00 N ATOM 0 H LYS A 54 7.248 -5.896 2.484 1.00 0.00 H new ATOM 0 HA LYS A 54 5.554 -6.745 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.439 -8.979 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.752 -8.648 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.977 -8.287 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.715 -8.451 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.700 -10.706 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.995 -10.736 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.222 -11.720 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.574 -10.183 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.698 -9.960 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.922 -9.351 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.350 -10.955 1.362 1.00 0.00 H new ATOM 857 N GLY A 55 7.733 -7.016 6.233 1.00 0.00 N ATOM 858 CA GLY A 55 8.829 -6.706 7.138 1.00 0.00 C ATOM 859 C GLY A 55 8.616 -5.423 7.917 1.00 0.00 C ATOM 860 O GLY A 55 7.923 -5.417 8.937 1.00 0.00 O ATOM 0 H GLY A 55 7.046 -7.670 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.958 -7.531 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.753 -6.627 6.565 1.00 0.00 H new ATOM 864 N ARG A 56 9.228 -4.339 7.435 1.00 0.00 N ATOM 865 CA ARG A 56 9.129 -3.030 8.085 1.00 0.00 C ATOM 866 C ARG A 56 7.754 -2.403 7.863 1.00 0.00 C ATOM 867 O ARG A 56 7.232 -1.711 8.740 1.00 0.00 O ATOM 868 CB ARG A 56 10.217 -2.090 7.551 1.00 0.00 C ATOM 869 CG ARG A 56 11.644 -2.599 7.748 1.00 0.00 C ATOM 870 CD ARG A 56 12.065 -2.593 9.216 1.00 0.00 C ATOM 871 NE ARG A 56 12.072 -1.244 9.797 1.00 0.00 N ATOM 872 CZ ARG A 56 12.967 -0.291 9.508 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.974 -0.523 8.669 1.00 0.00 N ATOM 874 NH2 ARG A 56 12.859 0.904 10.074 1.00 0.00 N ATOM 0 H ARG A 56 9.801 -4.343 6.591 1.00 0.00 H new ATOM 0 HA ARG A 56 9.270 -3.178 9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.047 -1.925 6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.118 -1.123 8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.723 -3.612 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.331 -1.978 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.387 -3.227 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.060 -3.028 9.306 1.00 0.00 H new ATOM 0 HE ARG A 56 11.341 -1.016 10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.074 -1.440 8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.646 0.216 8.462 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.097 1.093 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.538 1.634 9.858 1.00 0.00 H new ATOM 888 N GLY A 57 7.179 -2.651 6.685 1.00 0.00 N ATOM 889 CA GLY A 57 5.872 -2.109 6.355 1.00 0.00 C ATOM 890 C GLY A 57 4.923 -3.172 5.847 1.00 0.00 C ATOM 891 O GLY A 57 4.437 -3.089 4.718 1.00 0.00 O ATOM 0 H GLY A 57 7.600 -3.221 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.444 -1.635 7.238 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.983 -1.332 5.598 1.00 0.00 H new ATOM 895 N ARG A 58 4.661 -4.175 6.690 1.00 0.00 N ATOM 896 CA ARG A 58 3.763 -5.278 6.337 1.00 0.00 C ATOM 897 C ARG A 58 2.298 -4.825 6.286 1.00 0.00 C ATOM 898 O ARG A 58 1.434 -5.562 5.803 1.00 0.00 O ATOM 899 CB ARG A 58 3.947 -6.454 7.315 1.00 0.00 C ATOM 900 CG ARG A 58 3.738 -6.102 8.782 1.00 0.00 C ATOM 901 CD ARG A 58 2.364 -6.531 9.281 1.00 0.00 C ATOM 902 NE ARG A 58 2.187 -7.984 9.231 1.00 0.00 N ATOM 903 CZ ARG A 58 1.076 -8.621 9.613 1.00 0.00 C ATOM 904 NH1 ARG A 58 0.027 -7.947 10.079 1.00 0.00 N ATOM 905 NH2 ARG A 58 1.014 -9.944 9.528 1.00 0.00 N ATOM 0 H ARG A 58 5.060 -4.246 7.626 1.00 0.00 H new ATOM 0 HA ARG A 58 4.028 -5.616 5.335 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.250 -7.247 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 58 4.952 -6.857 7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.509 -6.583 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.853 -5.027 8.917 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.227 -6.185 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.594 -6.052 8.677 1.00 0.00 H new ATOM 0 HE ARG A 58 2.963 -8.547 8.882 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.064 -6.930 10.148 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.814 -8.447 10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.812 -10.470 9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.168 -10.435 9.818 1.00 0.00 H new ATOM 919 N LEU A 59 2.033 -3.611 6.778 1.00 0.00 N ATOM 920 CA LEU A 59 0.682 -3.053 6.782 1.00 0.00 C ATOM 921 C LEU A 59 0.501 -2.039 5.648 1.00 0.00 C ATOM 922 O LEU A 59 -0.533 -1.371 5.565 1.00 0.00 O ATOM 923 CB LEU A 59 0.386 -2.383 8.133 1.00 0.00 C ATOM 924 CG LEU A 59 0.387 -3.316 9.353 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.410 -2.505 10.640 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.820 -4.247 9.329 1.00 0.00 C ATOM 0 H LEU A 59 2.741 -2.996 7.179 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.020 -3.872 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.124 -1.598 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.588 -1.897 8.071 1.00 0.00 H new ATOM 0 HG LEU A 59 1.287 -3.930 9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.410 -3.180 11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.308 -1.887 10.665 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.472 -1.866 10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.795 -4.897 10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.736 -3.656 9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.793 -4.855 8.424 1.00 0.00 H new ATOM 938 N PHE A 60 1.513 -1.928 4.780 1.00 0.00 N ATOM 939 CA PHE A 60 1.465 -0.991 3.656 1.00 0.00 C ATOM 940 C PHE A 60 1.412 -1.724 2.317 1.00 0.00 C ATOM 941 O PHE A 60 2.277 -2.552 2.005 1.00 0.00 O ATOM 942 CB PHE A 60 2.665 -0.033 3.688 1.00 0.00 C ATOM 943 CG PHE A 60 2.608 0.996 4.792 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.915 0.662 6.104 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.241 2.304 4.510 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.858 1.609 7.108 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.182 3.254 5.511 1.00 0.00 C ATOM 948 CZ PHE A 60 2.491 2.907 6.811 1.00 0.00 C ATOM 0 H PHE A 60 2.372 -2.475 4.835 1.00 0.00 H new ATOM 0 HA PHE A 60 0.550 -0.408 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.579 -0.617 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.730 0.482 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.202 -0.351 6.343 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.998 2.583 3.495 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.100 1.335 8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.894 4.268 5.277 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.446 3.649 7.594 1.00 0.00 H new ATOM 958 N TRP A 61 0.378 -1.407 1.535 1.00 0.00 N ATOM 959 CA TRP A 61 0.168 -2.012 0.221 1.00 0.00 C ATOM 960 C TRP A 61 0.375 -0.982 -0.891 1.00 0.00 C ATOM 961 O TRP A 61 0.824 0.136 -0.627 1.00 0.00 O ATOM 962 CB TRP A 61 -1.253 -2.604 0.141 1.00 0.00 C ATOM 963 CG TRP A 61 -1.476 -3.855 0.961 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.542 -4.593 1.642 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.734 -4.506 1.198 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.135 -5.665 2.253 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.479 -5.629 2.009 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.051 -4.250 0.801 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.489 -6.490 2.428 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.051 -5.105 1.220 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.765 -6.211 2.027 1.00 0.00 C ATOM 0 H TRP A 61 -0.335 -0.725 1.795 1.00 0.00 H new ATOM 0 HA TRP A 61 0.898 -2.810 0.085 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.965 -1.845 0.465 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.478 -2.827 -0.902 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.512 -4.361 1.690 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.652 -6.376 2.802 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.281 -3.399 0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.272 -7.348 3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.071 -4.917 0.920 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.571 -6.859 2.340 1.00 0.00 H new ATOM 982 N GLY A 62 0.047 -1.368 -2.129 1.00 0.00 N ATOM 983 CA GLY A 62 0.201 -0.471 -3.262 1.00 0.00 C ATOM 984 C GLY A 62 -0.519 -0.971 -4.496 1.00 0.00 C ATOM 985 O GLY A 62 -0.770 -2.170 -4.622 1.00 0.00 O ATOM 0 H GLY A 62 -0.323 -2.289 -2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.181 0.515 -2.996 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.261 -0.352 -3.486 1.00 0.00 H new ATOM 989 N GLY A 63 -0.852 -0.047 -5.404 1.00 0.00 N ATOM 990 CA GLY A 63 -1.548 -0.410 -6.626 1.00 0.00 C ATOM 991 C GLY A 63 -2.099 0.797 -7.359 1.00 0.00 C ATOM 992 O GLY A 63 -1.566 1.904 -7.232 1.00 0.00 O ATOM 0 H GLY A 63 -0.649 0.948 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.866 -0.950 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.365 -1.090 -6.387 1.00 0.00 H new ATOM 996 N SER A 64 -3.166 0.579 -8.129 1.00 0.00 N ATOM 997 CA SER A 64 -3.800 1.651 -8.896 1.00 0.00 C ATOM 998 C SER A 64 -5.290 1.719 -8.591 1.00 0.00 C ATOM 999 O SER A 64 -5.939 0.687 -8.409 1.00 0.00 O ATOM 1000 CB SER A 64 -3.581 1.441 -10.396 1.00 0.00 C ATOM 1001 OG SER A 64 -4.158 0.223 -10.832 1.00 0.00 O ATOM 0 H SER A 64 -3.610 -0.333 -8.238 1.00 0.00 H new ATOM 0 HA SER A 64 -3.340 2.595 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.018 2.272 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.513 1.439 -10.614 1.00 0.00 H new ATOM 0 HG SER A 64 -3.545 -0.517 -10.639 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.824 2.938 -8.531 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.240 3.144 -8.239 1.00 0.00 C ATOM 1009 C VAL A 65 -8.077 3.219 -9.524 1.00 0.00 C ATOM 1010 O VAL A 65 -7.817 4.037 -10.412 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.463 4.409 -7.352 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.868 5.661 -7.991 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.943 4.612 -7.043 1.00 0.00 C ATOM 0 H VAL A 65 -5.296 3.798 -8.681 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.580 2.277 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.939 4.238 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.044 6.519 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.795 5.525 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.339 5.834 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.067 5.500 -6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.495 4.739 -7.974 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.326 3.742 -6.510 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.088 2.353 -9.601 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.984 2.305 -10.752 1.00 0.00 C ATOM 1025 C GLN A 66 -11.106 3.331 -10.589 1.00 0.00 C ATOM 1026 O GLN A 66 -11.720 3.424 -9.524 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.573 0.895 -10.917 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.499 0.754 -12.120 1.00 0.00 C ATOM 1029 CD GLN A 66 -12.055 -0.646 -12.280 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -12.772 -1.146 -11.411 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -11.729 -1.288 -13.395 1.00 0.00 N ATOM 0 H GLN A 66 -9.306 1.672 -8.874 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.412 2.548 -11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.757 0.179 -11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.123 0.633 -10.013 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.325 1.458 -12.019 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.955 1.028 -13.024 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.133 -0.836 -14.088 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.075 -2.233 -13.559 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.360 4.092 -11.653 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.404 5.104 -11.618 1.00 0.00 C ATOM 1042 C GLY A 67 -12.446 5.942 -12.880 1.00 0.00 C ATOM 1043 O GLY A 67 -13.488 6.509 -13.216 1.00 0.00 O ATOM 0 H GLY A 67 -10.860 4.025 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.370 4.619 -11.476 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.245 5.756 -10.759 1.00 0.00 H new ATOM 1047 N ASP A 68 -11.310 6.021 -13.578 1.00 0.00 N ATOM 1048 CA ASP A 68 -11.218 6.799 -14.810 1.00 0.00 C ATOM 1049 C ASP A 68 -10.336 6.089 -15.842 1.00 0.00 C ATOM 1050 O ASP A 68 -9.159 6.421 -16.015 1.00 0.00 O ATOM 1051 CB ASP A 68 -10.676 8.203 -14.509 1.00 0.00 C ATOM 1052 CG ASP A 68 -10.718 9.123 -15.718 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -11.827 9.380 -16.231 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -9.640 9.585 -16.148 1.00 0.00 O ATOM 0 H ASP A 68 -10.443 5.555 -13.309 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.218 6.893 -15.233 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.258 8.646 -13.701 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.648 8.122 -14.155 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.926 5.113 -16.529 1.00 0.00 N ATOM 1060 CA TYR A 69 -10.217 4.352 -17.559 1.00 0.00 C ATOM 1061 C TYR A 69 -10.579 4.861 -18.952 1.00 0.00 C ATOM 1062 O TYR A 69 -10.071 4.357 -19.958 1.00 0.00 O ATOM 1063 CB TYR A 69 -10.526 2.851 -17.437 1.00 0.00 C ATOM 1064 CG TYR A 69 -9.629 2.092 -16.469 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -9.447 2.512 -15.152 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -8.966 0.943 -16.884 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -8.630 1.811 -14.286 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -8.150 0.237 -16.020 1.00 0.00 C ATOM 1069 CZ TYR A 69 -7.986 0.675 -14.725 1.00 0.00 C ATOM 1070 OH TYR A 69 -7.173 -0.027 -13.863 1.00 0.00 O ATOM 0 H TYR A 69 -11.896 4.829 -16.391 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.147 4.495 -17.409 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.562 2.732 -17.120 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.440 2.395 -18.423 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.953 3.400 -14.803 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.091 0.596 -17.899 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.497 2.152 -13.270 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.643 -0.654 -16.359 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.795 -0.803 -14.328 1.00 0.00 H new ATOM 1080 N TYR A 70 -11.451 5.874 -18.997 1.00 0.00 N ATOM 1081 CA TYR A 70 -11.880 6.478 -20.256 1.00 0.00 C ATOM 1082 C TYR A 70 -10.785 7.400 -20.788 1.00 0.00 C ATOM 1083 O TYR A 70 -10.661 7.613 -21.997 1.00 0.00 O ATOM 1084 CB TYR A 70 -13.192 7.254 -20.044 1.00 0.00 C ATOM 1085 CG TYR A 70 -13.839 7.781 -21.314 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -14.263 6.920 -22.324 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -14.037 9.145 -21.494 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -14.858 7.405 -23.473 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -14.633 9.635 -22.640 1.00 0.00 C ATOM 1090 CZ TYR A 70 -15.040 8.762 -23.625 1.00 0.00 C ATOM 1091 OH TYR A 70 -15.634 9.250 -24.768 1.00 0.00 O ATOM 0 H TYR A 70 -11.874 6.293 -18.169 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.059 5.694 -20.992 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -13.903 6.603 -19.535 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.996 8.095 -19.378 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.124 5.855 -22.207 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.720 9.833 -20.725 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.179 6.724 -24.248 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.779 10.698 -22.763 1.00 0.00 H new ATOM 0 HH TYR A 70 -15.688 10.227 -24.717 1.00 0.00 H new ATOM 1101 N GLY A 71 -9.990 7.925 -19.860 1.00 0.00 N ATOM 1102 CA GLY A 71 -8.892 8.810 -20.207 1.00 0.00 C ATOM 1103 C GLY A 71 -7.549 8.228 -19.814 1.00 0.00 C ATOM 1104 O GLY A 71 -6.984 7.416 -20.551 1.00 0.00 O ATOM 0 H GLY A 71 -10.089 7.750 -18.860 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.905 9.000 -21.280 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.030 9.771 -19.711 1.00 0.00 H new ATOM 1108 N ASP A 72 -7.044 8.640 -18.646 1.00 0.00 N ATOM 1109 CA ASP A 72 -5.757 8.157 -18.140 1.00 0.00 C ATOM 1110 C ASP A 72 -5.668 8.355 -16.624 1.00 0.00 C ATOM 1111 O ASP A 72 -5.753 9.485 -16.136 1.00 0.00 O ATOM 1112 CB ASP A 72 -4.601 8.896 -18.833 1.00 0.00 C ATOM 1113 CG ASP A 72 -3.250 8.229 -18.622 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -3.211 7.115 -18.055 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -2.231 8.817 -19.039 1.00 0.00 O ATOM 0 H ASP A 72 -7.510 9.309 -18.033 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.679 7.092 -18.359 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.806 8.956 -19.902 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.556 9.919 -18.459 1.00 0.00 H new ATOM 1120 N LEU A 73 -5.497 7.249 -15.887 1.00 0.00 N ATOM 1121 CA LEU A 73 -5.396 7.299 -14.424 1.00 0.00 C ATOM 1122 C LEU A 73 -4.590 6.111 -13.889 1.00 0.00 C ATOM 1123 O LEU A 73 -3.874 6.239 -12.893 1.00 0.00 O ATOM 1124 CB LEU A 73 -6.809 7.300 -13.793 1.00 0.00 C ATOM 1125 CG LEU A 73 -7.042 8.231 -12.576 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -6.243 7.778 -11.360 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -6.727 9.685 -12.920 1.00 0.00 C ATOM 0 H LEU A 73 -5.426 6.311 -16.280 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.878 8.218 -14.151 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.525 7.573 -14.568 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.043 6.280 -13.488 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.100 8.166 -12.321 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.432 8.455 -10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.545 6.768 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.180 7.786 -11.600 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.901 10.312 -12.045 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.684 9.769 -13.225 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.371 10.014 -13.735 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.721 4.955 -14.548 1.00 0.00 N ATOM 1140 CA ALA A 74 -4.017 3.740 -14.128 1.00 0.00 C ATOM 1141 C ALA A 74 -2.535 3.756 -14.514 1.00 0.00 C ATOM 1142 O ALA A 74 -1.789 2.849 -14.134 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.694 2.505 -14.703 1.00 0.00 C ATOM 0 H ALA A 74 -5.308 4.836 -15.374 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.067 3.707 -13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.158 1.613 -14.381 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.724 2.457 -14.349 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.686 2.559 -15.792 1.00 0.00 H new ATOM 1149 N ALA A 75 -2.110 4.785 -15.258 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.713 4.906 -15.677 1.00 0.00 C ATOM 1151 C ALA A 75 0.186 5.182 -14.478 1.00 0.00 C ATOM 1152 O ALA A 75 1.262 4.592 -14.351 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.551 6.001 -16.716 1.00 0.00 C ATOM 0 H ALA A 75 -2.713 5.542 -15.580 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.415 3.959 -16.126 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.496 6.071 -17.011 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.159 5.766 -17.590 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.873 6.953 -16.295 1.00 0.00 H new ATOM 1159 N ARG A 76 -0.273 6.074 -13.596 1.00 0.00 N ATOM 1160 CA ARG A 76 0.480 6.419 -12.396 1.00 0.00 C ATOM 1161 C ARG A 76 0.226 5.391 -11.294 1.00 0.00 C ATOM 1162 O ARG A 76 -0.911 5.199 -10.848 1.00 0.00 O ATOM 1163 CB ARG A 76 0.146 7.845 -11.915 1.00 0.00 C ATOM 1164 CG ARG A 76 -1.341 8.124 -11.721 1.00 0.00 C ATOM 1165 CD ARG A 76 -1.573 9.503 -11.126 1.00 0.00 C ATOM 1166 NE ARG A 76 -2.996 9.787 -10.932 1.00 0.00 N ATOM 1167 CZ ARG A 76 -3.475 10.925 -10.420 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -2.656 11.905 -10.049 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -4.784 11.083 -10.280 1.00 0.00 N ATOM 0 H ARG A 76 -1.161 6.567 -13.693 1.00 0.00 H new ATOM 0 HA ARG A 76 1.541 6.400 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.661 8.025 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.544 8.559 -12.636 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.855 8.048 -12.679 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.773 7.366 -11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.056 9.576 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.139 10.258 -11.782 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.666 9.069 -11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.647 11.794 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.036 12.768 -9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.421 10.338 -10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.154 11.950 -9.890 1.00 0.00 H new ATOM 1183 N LEU A 77 1.294 4.722 -10.874 1.00 0.00 N ATOM 1184 CA LEU A 77 1.209 3.701 -9.838 1.00 0.00 C ATOM 1185 C LEU A 77 1.619 4.299 -8.495 1.00 0.00 C ATOM 1186 O LEU A 77 2.622 5.012 -8.413 1.00 0.00 O ATOM 1187 CB LEU A 77 2.106 2.511 -10.218 1.00 0.00 C ATOM 1188 CG LEU A 77 1.823 1.183 -9.501 1.00 0.00 C ATOM 1189 CD1 LEU A 77 0.395 0.715 -9.745 1.00 0.00 C ATOM 1190 CD2 LEU A 77 2.797 0.119 -9.974 1.00 0.00 C ATOM 0 H LEU A 77 2.235 4.871 -11.239 1.00 0.00 H new ATOM 0 HA LEU A 77 0.184 3.342 -9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.016 2.345 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.142 2.789 -10.024 1.00 0.00 H new ATOM 0 HG LEU A 77 1.951 1.346 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.227 -0.228 -9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.302 1.465 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.237 0.572 -10.814 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.589 -0.819 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.686 -0.024 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.817 0.435 -9.753 1.00 0.00 H new ATOM 1202 N GLY A 78 0.830 4.026 -7.449 1.00 0.00 N ATOM 1203 CA GLY A 78 1.130 4.574 -6.136 1.00 0.00 C ATOM 1204 C GLY A 78 0.995 3.554 -5.032 1.00 0.00 C ATOM 1205 O GLY A 78 0.871 2.359 -5.299 1.00 0.00 O ATOM 0 H GLY A 78 -0.004 3.440 -7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.145 4.970 -6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.461 5.411 -5.935 1.00 0.00 H new ATOM 1209 N TYR A 79 1.029 4.030 -3.785 1.00 0.00 N ATOM 1210 CA TYR A 79 0.916 3.153 -2.623 1.00 0.00 C ATOM 1211 C TYR A 79 -0.123 3.688 -1.638 1.00 0.00 C ATOM 1212 O TYR A 79 -0.377 4.895 -1.587 1.00 0.00 O ATOM 1213 CB TYR A 79 2.277 2.983 -1.930 1.00 0.00 C ATOM 1214 CG TYR A 79 3.399 2.528 -2.854 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.571 1.184 -3.173 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.282 3.448 -3.408 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.589 0.775 -4.015 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.301 3.049 -4.248 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.451 1.711 -4.549 1.00 0.00 C ATOM 1220 OH TYR A 79 6.466 1.307 -5.386 1.00 0.00 O ATOM 0 H TYR A 79 1.134 5.019 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 79 0.586 2.175 -2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.560 3.932 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.172 2.259 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.899 0.449 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.168 4.497 -3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.709 -0.272 -4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.977 3.779 -4.667 1.00 0.00 H new ATOM 0 HH TYR A 79 6.743 2.059 -5.950 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.731 2.776 -0.872 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.764 3.140 0.104 1.00 0.00 C ATOM 1232 C PHE A 80 -1.782 2.160 1.294 1.00 0.00 C ATOM 1233 O PHE A 80 -1.426 0.992 1.130 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.146 3.181 -0.591 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.525 1.916 -1.335 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.155 0.863 -0.684 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.244 1.786 -2.687 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.493 -0.289 -1.365 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.582 0.636 -3.372 1.00 0.00 C ATOM 1240 CZ PHE A 80 -4.206 -0.403 -2.711 1.00 0.00 C ATOM 0 H PHE A 80 -0.525 1.778 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.533 4.129 0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.908 3.385 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.159 4.015 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.383 0.947 0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.755 2.594 -3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.981 -1.100 -0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.358 0.549 -4.425 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.469 -1.304 -3.246 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.202 2.609 2.517 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.259 1.738 3.701 1.00 0.00 C ATOM 1252 C PRO A 81 -3.422 0.749 3.626 1.00 0.00 C ATOM 1253 O PRO A 81 -4.520 1.101 3.194 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.465 2.711 4.875 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.298 4.082 4.306 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.651 3.975 2.853 1.00 0.00 C ATOM 0 HA PRO A 81 -1.359 1.131 3.797 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.455 2.589 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.740 2.526 5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.947 4.796 4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.275 4.435 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.720 4.104 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.140 4.729 2.254 1.00 0.00 H new ATOM 1264 N SER A 82 -3.171 -0.492 4.048 1.00 0.00 N ATOM 1265 CA SER A 82 -4.188 -1.550 4.031 1.00 0.00 C ATOM 1266 C SER A 82 -5.357 -1.234 4.970 1.00 0.00 C ATOM 1267 O SER A 82 -6.445 -1.802 4.831 1.00 0.00 O ATOM 1268 CB SER A 82 -3.554 -2.885 4.427 1.00 0.00 C ATOM 1269 OG SER A 82 -3.089 -2.855 5.767 1.00 0.00 O ATOM 0 H SER A 82 -2.265 -0.792 4.409 1.00 0.00 H new ATOM 0 HA SER A 82 -4.583 -1.613 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.284 -3.686 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.725 -3.110 3.756 1.00 0.00 H new ATOM 0 HG SER A 82 -2.241 -2.365 5.808 1.00 0.00 H new ATOM 1275 N SER A 83 -5.114 -0.337 5.928 1.00 0.00 N ATOM 1276 CA SER A 83 -6.120 0.058 6.915 1.00 0.00 C ATOM 1277 C SER A 83 -7.315 0.793 6.293 1.00 0.00 C ATOM 1278 O SER A 83 -8.384 0.853 6.908 1.00 0.00 O ATOM 1279 CB SER A 83 -5.474 0.939 7.987 1.00 0.00 C ATOM 1280 OG SER A 83 -6.410 1.301 8.989 1.00 0.00 O ATOM 0 H SER A 83 -4.217 0.135 6.041 1.00 0.00 H new ATOM 0 HA SER A 83 -6.507 -0.860 7.358 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.638 0.408 8.442 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.067 1.838 7.525 1.00 0.00 H new ATOM 0 HG SER A 83 -5.969 1.862 9.661 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.145 1.359 5.089 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.246 2.086 4.444 1.00 0.00 C ATOM 1288 C ILE A 84 -9.014 1.227 3.436 1.00 0.00 C ATOM 1289 O ILE A 84 -10.006 1.687 2.865 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.777 3.389 3.755 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.827 3.095 2.594 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.119 4.312 4.775 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.630 4.273 1.671 1.00 0.00 C ATOM 0 H ILE A 84 -6.277 1.329 4.554 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.921 2.348 5.258 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.652 3.890 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.860 2.789 2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.215 2.254 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.792 5.227 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.836 4.559 5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.258 3.811 5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.945 3.997 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.589 4.565 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.213 5.109 2.232 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.562 -0.014 3.214 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.237 -0.902 2.262 1.00 0.00 C ATOM 1307 C VAL A 85 -9.647 -2.223 2.907 1.00 0.00 C ATOM 1308 O VAL A 85 -9.234 -2.541 4.024 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.362 -1.206 1.014 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.940 0.079 0.315 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -7.143 -2.051 1.379 1.00 0.00 C ATOM 0 H VAL A 85 -7.746 -0.420 3.672 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.130 -0.363 1.944 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.972 -1.785 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.329 -0.164 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.826 0.627 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.362 0.695 1.004 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.553 -2.245 0.483 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.533 -1.515 2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.472 -2.997 1.809 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.452 -2.987 2.170 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.922 -4.287 2.625 1.00 0.00 C ATOM 1323 C ARG A 86 -10.987 -5.259 1.451 1.00 0.00 C ATOM 1324 O ARG A 86 -11.771 -5.063 0.514 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.288 -4.159 3.291 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.752 -5.435 3.969 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.772 -5.131 5.041 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.014 -4.584 4.489 1.00 0.00 N ATOM 1329 CZ ARG A 86 -16.075 -4.230 5.221 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -16.064 -4.357 6.546 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -17.153 -3.743 4.624 1.00 0.00 N ATOM 0 H ARG A 86 -10.793 -2.721 1.246 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.219 -4.675 3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.250 -3.358 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.023 -3.867 2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.185 -6.109 3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.898 -5.950 4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.994 -6.042 5.596 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.349 -4.420 5.751 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.073 -4.465 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.238 -4.729 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.881 -4.083 7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -17.171 -3.639 3.609 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.965 -3.472 5.179 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.153 -6.302 1.512 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.099 -7.322 0.464 1.00 0.00 C ATOM 1347 C GLU A 87 -11.429 -8.059 0.352 1.00 0.00 C ATOM 1348 O GLU A 87 -12.018 -8.447 1.364 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.979 -8.321 0.752 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.659 -8.001 0.073 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.674 -9.154 0.172 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -7.004 -10.260 -0.308 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.575 -8.955 0.724 1.00 0.00 O ATOM 0 H GLU A 87 -9.503 -6.461 2.282 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.898 -6.821 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.817 -8.366 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.304 -9.313 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.838 -7.767 -0.976 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.223 -7.112 0.528 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.897 -8.237 -0.882 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.164 -8.916 -1.134 1.00 0.00 C ATOM 1362 C ASP A 88 -12.952 -10.187 -1.953 1.00 0.00 C ATOM 1363 O ASP A 88 -13.517 -11.235 -1.633 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.131 -7.966 -1.856 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.553 -8.502 -1.935 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.776 -9.518 -2.628 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.445 -7.902 -1.299 1.00 0.00 O ATOM 0 H ASP A 88 -11.416 -7.919 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.597 -9.205 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.140 -7.006 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.763 -7.782 -2.865 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.149 -10.084 -3.018 1.00 0.00 N ATOM 1373 CA GLN A 89 -11.888 -11.238 -3.891 1.00 0.00 C ATOM 1374 C GLN A 89 -10.485 -11.185 -4.506 1.00 0.00 C ATOM 1375 O GLN A 89 -10.058 -10.145 -5.005 1.00 0.00 O ATOM 1376 CB GLN A 89 -12.950 -11.290 -5.002 1.00 0.00 C ATOM 1377 CG GLN A 89 -12.876 -12.526 -5.889 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.636 -12.185 -7.349 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.533 -12.680 -7.894 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.434 -11.488 -7.977 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.673 -9.226 -3.295 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.942 -12.141 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.938 -11.245 -4.545 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.847 -10.403 -5.627 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.075 -13.175 -5.535 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.805 -13.089 -5.799 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.270 -11.129 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.259 -11.270 -8.958 1.00 0.00 H new ATOM 1389 N THR A 90 -9.789 -12.331 -4.485 1.00 0.00 N ATOM 1390 CA THR A 90 -8.443 -12.442 -5.059 1.00 0.00 C ATOM 1391 C THR A 90 -8.550 -12.824 -6.536 1.00 0.00 C ATOM 1392 O THR A 90 -9.126 -13.860 -6.876 1.00 0.00 O ATOM 1393 CB THR A 90 -7.617 -13.486 -4.290 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.608 -13.193 -2.905 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.170 -13.584 -4.739 1.00 0.00 C ATOM 0 H THR A 90 -10.139 -13.197 -4.075 1.00 0.00 H new ATOM 0 HA THR A 90 -7.936 -11.481 -4.975 1.00 0.00 H new ATOM 0 HB THR A 90 -8.106 -14.437 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.228 -12.301 -2.762 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.656 -14.342 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.134 -13.860 -5.793 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.680 -12.621 -4.599 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.004 -11.973 -7.404 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.054 -12.189 -8.853 1.00 0.00 C ATOM 1405 C LEU A 91 -6.903 -13.070 -9.324 1.00 0.00 C ATOM 1406 O LEU A 91 -7.039 -13.815 -10.298 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.972 -10.837 -9.579 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.851 -9.712 -9.009 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.363 -8.362 -9.502 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.314 -9.914 -9.369 1.00 0.00 C ATOM 0 H LEU A 91 -7.518 -11.120 -7.127 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.994 -12.690 -9.084 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.935 -10.502 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.245 -10.991 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.770 -9.741 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.994 -7.574 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.333 -8.207 -9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.410 -8.333 -10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.907 -9.101 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.424 -9.923 -10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.661 -10.864 -8.962 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.775 -12.975 -8.625 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.582 -13.757 -8.957 1.00 0.00 C ATOM 1424 C LYS A 92 -3.692 -13.943 -7.711 1.00 0.00 C ATOM 1425 O LYS A 92 -3.364 -12.961 -7.048 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.791 -13.066 -10.084 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.630 -13.904 -10.632 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.934 -14.542 -11.993 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.036 -15.595 -11.931 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.305 -16.198 -13.266 1.00 0.00 N ATOM 0 H LYS A 92 -5.660 -12.360 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.897 -14.741 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.473 -12.830 -10.901 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.399 -12.119 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.746 -13.272 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.388 -14.689 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.225 -13.761 -12.696 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.025 -14.999 -12.384 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.750 -16.379 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.950 -15.142 -11.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.060 -16.908 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.603 -15.454 -13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.440 -16.653 -13.622 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.303 -15.209 -7.360 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.469 -15.489 -6.178 1.00 0.00 C ATOM 1446 C PRO A 93 -1.173 -14.679 -6.129 1.00 0.00 C ATOM 1447 O PRO A 93 -0.390 -14.679 -7.084 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.124 -16.972 -6.310 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.150 -17.562 -7.199 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.668 -16.459 -8.068 1.00 0.00 C ATOM 0 HA PRO A 93 -3.008 -15.223 -5.269 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.126 -17.103 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.128 -17.460 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.721 -18.360 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.958 -18.004 -6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.220 -16.495 -9.061 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.747 -16.536 -8.202 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.948 -14.017 -4.992 1.00 0.00 N ATOM 1459 CA GLY A 94 0.261 -13.232 -4.795 1.00 0.00 C ATOM 1460 C GLY A 94 1.231 -13.961 -3.892 1.00 0.00 C ATOM 1461 O GLY A 94 1.155 -13.846 -2.666 1.00 0.00 O ATOM 0 H GLY A 94 -1.589 -14.012 -4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.732 -13.033 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.006 -12.266 -4.359 1.00 0.00 H new ATOM 1465 N LYS A 95 2.118 -14.740 -4.504 1.00 0.00 N ATOM 1466 CA LYS A 95 3.093 -15.540 -3.762 1.00 0.00 C ATOM 1467 C LYS A 95 4.514 -15.407 -4.325 1.00 0.00 C ATOM 1468 O LYS A 95 5.328 -16.330 -4.204 1.00 0.00 O ATOM 1469 CB LYS A 95 2.645 -17.005 -3.755 1.00 0.00 C ATOM 1470 CG LYS A 95 2.154 -17.486 -5.108 1.00 0.00 C ATOM 1471 CD LYS A 95 1.687 -18.927 -5.052 1.00 0.00 C ATOM 1472 CE LYS A 95 1.264 -19.436 -6.421 1.00 0.00 C ATOM 1473 NZ LYS A 95 2.393 -19.428 -7.395 1.00 0.00 N ATOM 0 H LYS A 95 2.183 -14.836 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 95 3.131 -15.161 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.477 -17.631 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.849 -17.131 -3.021 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.335 -16.850 -5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.955 -17.391 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.489 -19.554 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.851 -19.012 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.875 -20.450 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.452 -18.817 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.136 -19.993 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.593 -18.450 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.239 -19.836 -6.949 1.00 0.00 H new ATOM 1487 N VAL A 96 4.811 -14.254 -4.929 1.00 0.00 N ATOM 1488 CA VAL A 96 6.137 -13.998 -5.500 1.00 0.00 C ATOM 1489 C VAL A 96 6.809 -12.826 -4.778 1.00 0.00 C ATOM 1490 O VAL A 96 6.181 -11.795 -4.544 1.00 0.00 O ATOM 1491 CB VAL A 96 6.052 -13.709 -7.022 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.440 -13.553 -7.637 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.279 -14.811 -7.737 1.00 0.00 C ATOM 0 H VAL A 96 4.152 -13.483 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 96 6.739 -14.896 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 96 5.518 -12.767 -7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.345 -13.351 -8.704 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.960 -12.724 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.008 -14.472 -7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.231 -14.589 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.784 -15.765 -7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.268 -14.868 -7.332 1.00 0.00 H new ATOM 1503 N ASP A 97 8.084 -13.002 -4.417 1.00 0.00 N ATOM 1504 CA ASP A 97 8.844 -11.969 -3.706 1.00 0.00 C ATOM 1505 C ASP A 97 9.775 -11.212 -4.655 1.00 0.00 C ATOM 1506 O ASP A 97 10.666 -11.801 -5.272 1.00 0.00 O ATOM 1507 CB ASP A 97 9.654 -12.612 -2.570 1.00 0.00 C ATOM 1508 CG ASP A 97 10.368 -11.606 -1.674 1.00 0.00 C ATOM 1509 OD1 ASP A 97 10.125 -10.386 -1.811 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.164 -12.047 -0.819 1.00 0.00 O ATOM 0 H ASP A 97 8.613 -13.853 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 97 8.138 -11.251 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.986 -13.218 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.392 -13.288 -3.001 1.00 0.00 H new ATOM 1515 N VAL A 98 9.559 -9.896 -4.745 1.00 0.00 N ATOM 1516 CA VAL A 98 10.371 -9.022 -5.595 1.00 0.00 C ATOM 1517 C VAL A 98 10.887 -7.841 -4.770 1.00 0.00 C ATOM 1518 O VAL A 98 10.105 -7.159 -4.117 1.00 0.00 O ATOM 1519 CB VAL A 98 9.565 -8.465 -6.805 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.491 -7.775 -7.801 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.761 -9.563 -7.498 1.00 0.00 C ATOM 0 H VAL A 98 8.822 -9.410 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 98 11.197 -9.621 -5.980 1.00 0.00 H new ATOM 0 HB VAL A 98 8.860 -7.730 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.906 -7.394 -8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 98 11.003 -6.948 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.227 -8.490 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.211 -9.137 -8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.439 -10.335 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.058 -10.002 -6.790 1.00 0.00 H new ATOM 1531 N LYS A 99 12.197 -7.601 -4.803 1.00 0.00 N ATOM 1532 CA LYS A 99 12.784 -6.486 -4.052 1.00 0.00 C ATOM 1533 C LYS A 99 12.577 -5.172 -4.810 1.00 0.00 C ATOM 1534 O LYS A 99 12.198 -5.182 -5.985 1.00 0.00 O ATOM 1535 CB LYS A 99 14.285 -6.719 -3.763 1.00 0.00 C ATOM 1536 CG LYS A 99 15.233 -6.505 -4.946 1.00 0.00 C ATOM 1537 CD LYS A 99 15.248 -7.679 -5.919 1.00 0.00 C ATOM 1538 CE LYS A 99 16.317 -7.505 -6.987 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.076 -6.299 -7.828 1.00 0.00 N ATOM 0 H LYS A 99 12.868 -8.155 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 99 12.274 -6.424 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.587 -6.053 -2.955 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.412 -7.739 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.940 -5.601 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 99 16.243 -6.339 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.427 -8.604 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.271 -7.773 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.295 -7.426 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.342 -8.391 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.756 -6.283 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.108 -6.328 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.195 -5.443 -7.250 1.00 0.00 H new ATOM 1553 N THR A 100 12.822 -4.047 -4.135 1.00 0.00 N ATOM 1554 CA THR A 100 12.654 -2.730 -4.755 1.00 0.00 C ATOM 1555 C THR A 100 14.006 -2.068 -5.023 1.00 0.00 C ATOM 1556 O THR A 100 14.862 -2.002 -4.137 1.00 0.00 O ATOM 1557 CB THR A 100 11.781 -1.819 -3.878 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.439 -1.503 -2.663 1.00 0.00 O ATOM 1559 CG2 THR A 100 10.442 -2.429 -3.522 1.00 0.00 C ATOM 0 H THR A 100 13.136 -4.020 -3.165 1.00 0.00 H new ATOM 0 HA THR A 100 12.151 -2.878 -5.711 1.00 0.00 H new ATOM 0 HB THR A 100 11.610 -0.927 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.485 -2.303 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.878 -1.732 -2.902 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.883 -2.637 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.600 -3.357 -2.973 1.00 0.00 H new ATOM 1567 N ASP A 101 14.183 -1.580 -6.253 1.00 0.00 N ATOM 1568 CA ASP A 101 15.420 -0.915 -6.658 1.00 0.00 C ATOM 1569 C ASP A 101 15.214 0.612 -6.668 1.00 0.00 C ATOM 1570 O ASP A 101 15.024 1.201 -5.603 1.00 0.00 O ATOM 1571 CB ASP A 101 15.885 -1.470 -8.016 1.00 0.00 C ATOM 1572 CG ASP A 101 17.265 -0.979 -8.419 1.00 0.00 C ATOM 1573 OD1 ASP A 101 18.226 -1.208 -7.654 1.00 0.00 O ATOM 1574 OD2 ASP A 101 17.385 -0.374 -9.505 1.00 0.00 O ATOM 0 H ASP A 101 13.479 -1.635 -6.989 1.00 0.00 H new ATOM 0 HA ASP A 101 16.215 -1.121 -5.941 1.00 0.00 H new ATOM 0 HB2 ASP A 101 15.891 -2.559 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.166 -1.185 -8.784 1.00 0.00 H new ATOM 1579 N LYS A 102 15.240 1.251 -7.845 1.00 0.00 N ATOM 1580 CA LYS A 102 15.039 2.696 -7.932 1.00 0.00 C ATOM 1581 C LYS A 102 13.983 3.060 -8.979 1.00 0.00 C ATOM 1582 O LYS A 102 13.640 4.232 -9.137 1.00 0.00 O ATOM 1583 CB LYS A 102 16.374 3.426 -8.201 1.00 0.00 C ATOM 1584 CG LYS A 102 17.153 2.958 -9.438 1.00 0.00 C ATOM 1585 CD LYS A 102 16.699 3.636 -10.736 1.00 0.00 C ATOM 1586 CE LYS A 102 17.025 5.126 -10.776 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.490 5.382 -10.686 1.00 0.00 N ATOM 0 H LYS A 102 15.397 0.791 -8.742 1.00 0.00 H new ATOM 0 HA LYS A 102 14.662 3.033 -6.966 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.169 4.491 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.013 3.309 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.214 3.155 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.041 1.879 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.176 3.143 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.624 3.502 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.638 5.557 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.518 5.630 -9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.685 6.373 -10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.815 5.199 -9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.993 4.754 -11.344 1.00 0.00 H new ATOM 1601 N TRP A 103 13.466 2.049 -9.686 1.00 0.00 N ATOM 1602 CA TRP A 103 12.443 2.265 -10.710 1.00 0.00 C ATOM 1603 C TRP A 103 11.044 2.106 -10.121 1.00 0.00 C ATOM 1604 O TRP A 103 10.046 2.421 -10.775 1.00 0.00 O ATOM 1605 CB TRP A 103 12.628 1.292 -11.884 1.00 0.00 C ATOM 1606 CG TRP A 103 13.948 1.432 -12.586 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.117 0.805 -12.261 1.00 0.00 C ATOM 1608 CD2 TRP A 103 14.239 2.262 -13.720 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.116 1.191 -13.124 1.00 0.00 N ATOM 1610 CE2 TRP A 103 15.602 2.084 -14.027 1.00 0.00 C ATOM 1611 CE3 TRP A 103 13.481 3.136 -14.508 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 16.219 2.748 -15.084 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 14.096 3.793 -15.555 1.00 0.00 C ATOM 1614 CH2 TRP A 103 15.454 3.597 -15.835 1.00 0.00 C ATOM 0 H TRP A 103 13.741 1.074 -9.566 1.00 0.00 H new ATOM 0 HA TRP A 103 12.555 3.284 -11.080 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.529 0.271 -11.516 1.00 0.00 H new ATOM 0 HB3 TRP A 103 11.825 1.450 -12.604 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.239 0.108 -11.445 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.082 0.865 -13.096 1.00 0.00 H new ATOM 0 HE3 TRP A 103 12.433 3.294 -14.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 17.266 2.598 -15.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 13.520 4.470 -16.169 1.00 0.00 H new ATOM 0 HH2 TRP A 103 15.906 4.127 -16.660 1.00 0.00 H new ATOM 1625 N ASP A 104 10.986 1.615 -8.881 1.00 0.00 N ATOM 1626 CA ASP A 104 9.720 1.404 -8.185 1.00 0.00 C ATOM 1627 C ASP A 104 9.181 2.711 -7.606 1.00 0.00 C ATOM 1628 O ASP A 104 7.968 2.880 -7.466 1.00 0.00 O ATOM 1629 CB ASP A 104 9.902 0.351 -7.085 1.00 0.00 C ATOM 1630 CG ASP A 104 10.097 -1.053 -7.644 1.00 0.00 C ATOM 1631 OD1 ASP A 104 10.127 -1.212 -8.884 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.219 -1.995 -6.837 1.00 0.00 O ATOM 0 H ASP A 104 11.809 1.355 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 104 8.986 1.040 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.763 0.617 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.030 0.360 -6.431 1.00 0.00 H new ATOM 1637 N PHE A 105 10.090 3.636 -7.284 1.00 0.00 N ATOM 1638 CA PHE A 105 9.707 4.940 -6.735 1.00 0.00 C ATOM 1639 C PHE A 105 10.615 6.064 -7.247 1.00 0.00 C ATOM 1640 O PHE A 105 11.576 6.465 -6.584 1.00 0.00 O ATOM 1641 CB PHE A 105 9.663 4.936 -5.187 1.00 0.00 C ATOM 1642 CG PHE A 105 10.516 3.898 -4.477 1.00 0.00 C ATOM 1643 CD1 PHE A 105 11.885 3.778 -4.699 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.922 3.052 -3.560 1.00 0.00 C ATOM 1645 CE1 PHE A 105 12.629 2.828 -4.019 1.00 0.00 C ATOM 1646 CE2 PHE A 105 10.658 2.100 -2.876 1.00 0.00 C ATOM 1647 CZ PHE A 105 12.016 1.989 -3.106 1.00 0.00 C ATOM 0 H PHE A 105 11.096 3.506 -7.394 1.00 0.00 H new ATOM 0 HA PHE A 105 8.696 5.135 -7.092 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.967 5.922 -4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.628 4.793 -4.878 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.371 4.432 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.862 3.135 -3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 105 13.690 2.742 -4.202 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.173 1.447 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.597 1.250 -2.575 1.00 0.00 H new ATOM 1657 N TYR A 106 10.280 6.572 -8.438 1.00 0.00 N ATOM 1658 CA TYR A 106 11.027 7.660 -9.073 1.00 0.00 C ATOM 1659 C TYR A 106 10.083 8.480 -9.963 1.00 0.00 C ATOM 1660 O TYR A 106 9.833 8.122 -11.119 1.00 0.00 O ATOM 1661 CB TYR A 106 12.217 7.087 -9.878 1.00 0.00 C ATOM 1662 CG TYR A 106 13.173 8.114 -10.485 1.00 0.00 C ATOM 1663 CD1 TYR A 106 13.474 9.316 -9.842 1.00 0.00 C ATOM 1664 CD2 TYR A 106 13.781 7.866 -11.711 1.00 0.00 C ATOM 1665 CE1 TYR A 106 14.340 10.231 -10.405 1.00 0.00 C ATOM 1666 CE2 TYR A 106 14.651 8.780 -12.278 1.00 0.00 C ATOM 1667 CZ TYR A 106 14.926 9.959 -11.622 1.00 0.00 C ATOM 1668 OH TYR A 106 15.790 10.871 -12.185 1.00 0.00 O ATOM 0 H TYR A 106 9.486 6.241 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 106 11.434 8.323 -8.310 1.00 0.00 H new ATOM 0 HB2 TYR A 106 12.790 6.430 -9.224 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.821 6.469 -10.683 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.021 9.534 -8.886 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.570 6.943 -12.230 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.558 11.157 -9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 106 15.113 8.570 -13.231 1.00 0.00 H new ATOM 0 HH TYR A 106 16.117 10.526 -13.042 1.00 0.00 H new ATOM 1678 N CYS A 107 9.542 9.567 -9.399 1.00 0.00 N ATOM 1679 CA CYS A 107 8.601 10.431 -10.117 1.00 0.00 C ATOM 1680 C CYS A 107 9.247 11.747 -10.560 1.00 0.00 C ATOM 1681 O CYS A 107 8.730 12.835 -10.286 1.00 0.00 O ATOM 1682 CB CYS A 107 7.390 10.730 -9.240 1.00 0.00 C ATOM 1683 SG CYS A 107 6.434 9.264 -8.736 1.00 0.00 S ATOM 0 H CYS A 107 9.741 9.868 -8.445 1.00 0.00 H new ATOM 0 HA CYS A 107 8.290 9.893 -11.013 1.00 0.00 H new ATOM 0 HB2 CYS A 107 7.727 11.252 -8.345 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.729 11.411 -9.777 1.00 0.00 H new ATOM 1688 N GLN A 108 10.370 11.637 -11.253 1.00 0.00 N ATOM 1689 CA GLN A 108 11.091 12.797 -11.749 1.00 0.00 C ATOM 1690 C GLN A 108 11.663 12.514 -13.141 1.00 0.00 C ATOM 1691 O GLN A 108 12.374 11.499 -13.295 1.00 0.00 O ATOM 1692 CB GLN A 108 12.203 13.177 -10.765 1.00 0.00 C ATOM 1693 CG GLN A 108 13.102 14.289 -11.262 1.00 0.00 C ATOM 1694 CD GLN A 108 14.195 14.656 -10.277 1.00 0.00 C ATOM 1695 OE1 GLN A 108 15.050 13.835 -9.942 1.00 0.00 O ATOM 1696 NE2 GLN A 108 14.170 15.897 -9.805 1.00 0.00 N ATOM 1697 OXT GLN A 108 11.390 13.310 -14.064 1.00 0.00 O ATOM 0 H GLN A 108 10.805 10.744 -11.486 1.00 0.00 H new ATOM 0 HA GLN A 108 10.402 13.637 -11.834 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.752 13.481 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 108 12.810 12.296 -10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 108 13.558 13.986 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 108 12.497 15.172 -11.470 1.00 0.00 H new ATOM 0 HE21 GLN A 108 13.443 16.544 -10.110 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.878 16.203 -9.137 1.00 0.00 H new TER 1706 GLN A 108