USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=24 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 23 SER OG : rot 173:sc= 0.347 USER MOD Set 1.2: A 90 THR OG1 : rot -61:sc= 0.38 USER MOD Set 2.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= 0 X(o=0,f=0) 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 171:sc= -0.513 (180deg=-0.703) USER MOD Single : A 6 LYS NZ :NH3+ 149:sc= -0.851 (180deg=-2.36!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -49:sc= 0.735 USER MOD Single : A 20 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-1.9!) USER MOD Single : A 24 MET CE :methyl -156:sc= -0.106 (180deg=-0.62) USER MOD Single : A 29 GLN : amide:sc= -0.193 K(o=-0.19,f=-3.7!) USER MOD Single : A 31 TYR OH : rot 175:sc=0.000808 USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0331 (180deg=-0.292) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 45 GLN : amide:sc= -1.19! C(o=-1.2!,f=-5.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 138:sc= 0.0411 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -74:sc= 0.329 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 180:sc= 0 USER MOD Single : A 82 SER OG : rot -79:sc= 0.809 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.471 F(o=-1.2,f=-0.47) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= -1.26 (180deg=-1.6!) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.0131 (180deg=-0.217) USER MOD Single : A 100 THR OG1 : rot -69:sc= 0.923 USER MOD Single : A 102 LYS NZ :NH3+ 147:sc= -1.27 (180deg=-3.37!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.0944 X(o=-0.094,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.874 14.931 -3.942 1.00 0.00 N ATOM 2 CA MET A 1 7.946 15.195 -4.937 1.00 0.00 C ATOM 3 C MET A 1 9.317 15.205 -4.262 1.00 0.00 C ATOM 4 O MET A 1 9.543 15.959 -3.311 1.00 0.00 O ATOM 5 CB MET A 1 7.662 16.548 -5.605 1.00 0.00 C ATOM 6 CG MET A 1 8.515 16.828 -6.836 1.00 0.00 C ATOM 7 SD MET A 1 8.177 15.688 -8.195 1.00 0.00 S ATOM 8 CE MET A 1 9.267 16.336 -9.459 1.00 0.00 C ATOM 0 H1 MET A 1 5.950 14.928 -4.420 1.00 0.00 H new ATOM 0 H2 MET A 1 7.036 14.006 -3.495 1.00 0.00 H new ATOM 0 H3 MET A 1 6.885 15.674 -3.214 1.00 0.00 H new ATOM 0 HA MET A 1 7.956 14.406 -5.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.610 16.587 -5.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.825 17.342 -4.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.336 17.850 -7.172 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.569 16.761 -6.565 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.172 15.736 -10.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.996 17.369 -9.679 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.297 16.299 -9.105 1.00 0.00 H new ATOM 20 N GLY A 2 10.223 14.356 -4.757 1.00 0.00 N ATOM 21 CA GLY A 2 11.559 14.271 -4.189 1.00 0.00 C ATOM 22 C GLY A 2 11.817 12.933 -3.510 1.00 0.00 C ATOM 23 O GLY A 2 10.930 12.075 -3.496 1.00 0.00 O ATOM 0 H GLY A 2 10.052 13.727 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.296 14.423 -4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.695 15.075 -3.465 1.00 0.00 H new ATOM 27 N PRO A 3 13.024 12.718 -2.923 1.00 0.00 N ATOM 28 CA PRO A 3 13.351 11.470 -2.243 1.00 0.00 C ATOM 29 C PRO A 3 12.743 11.400 -0.844 1.00 0.00 C ATOM 30 O PRO A 3 12.851 12.345 -0.057 1.00 0.00 O ATOM 31 CB PRO A 3 14.882 11.462 -2.179 1.00 0.00 C ATOM 32 CG PRO A 3 15.351 12.818 -2.594 1.00 0.00 C ATOM 33 CD PRO A 3 14.145 13.669 -2.869 1.00 0.00 C ATOM 0 HA PRO A 3 12.947 10.606 -2.771 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.223 11.229 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.290 10.696 -2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.961 13.266 -1.809 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.977 12.748 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.997 14.412 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.249 14.213 -3.808 1.00 0.00 H new ATOM 41 N MET A 4 12.086 10.277 -0.560 1.00 0.00 N ATOM 42 CA MET A 4 11.424 10.052 0.726 1.00 0.00 C ATOM 43 C MET A 4 11.660 8.603 1.214 1.00 0.00 C ATOM 44 O MET A 4 12.127 7.781 0.422 1.00 0.00 O ATOM 45 CB MET A 4 9.918 10.379 0.584 1.00 0.00 C ATOM 46 CG MET A 4 9.271 9.876 -0.707 1.00 0.00 C ATOM 47 SD MET A 4 9.014 8.091 -0.743 1.00 0.00 S ATOM 48 CE MET A 4 7.749 7.895 0.510 1.00 0.00 C ATOM 0 H MET A 4 11.997 9.498 -1.213 1.00 0.00 H new ATOM 0 HA MET A 4 11.849 10.712 1.482 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.386 9.948 1.432 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.788 11.460 0.642 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.311 10.375 -0.840 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.898 10.161 -1.552 1.00 0.00 H new ATOM 0 HE1 MET A 4 7.373 6.872 0.491 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.173 8.108 1.491 1.00 0.00 H new ATOM 0 HE3 MET A 4 6.930 8.586 0.311 1.00 0.00 H new ATOM 58 N PRO A 5 11.367 8.263 2.522 1.00 0.00 N ATOM 59 CA PRO A 5 11.573 6.906 3.079 1.00 0.00 C ATOM 60 C PRO A 5 11.089 5.781 2.159 1.00 0.00 C ATOM 61 O PRO A 5 10.129 5.944 1.409 1.00 0.00 O ATOM 62 CB PRO A 5 10.761 6.915 4.387 1.00 0.00 C ATOM 63 CG PRO A 5 10.024 8.211 4.404 1.00 0.00 C ATOM 64 CD PRO A 5 10.838 9.151 3.576 1.00 0.00 C ATOM 0 HA PRO A 5 12.635 6.703 3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.070 6.073 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.416 6.827 5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.021 8.096 3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.911 8.584 5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.233 9.958 3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.636 9.616 4.155 1.00 0.00 H new ATOM 72 N LYS A 6 11.787 4.648 2.217 1.00 0.00 N ATOM 73 CA LYS A 6 11.472 3.487 1.381 1.00 0.00 C ATOM 74 C LYS A 6 10.238 2.723 1.865 1.00 0.00 C ATOM 75 O LYS A 6 9.612 2.019 1.070 1.00 0.00 O ATOM 76 CB LYS A 6 12.668 2.530 1.351 1.00 0.00 C ATOM 77 CG LYS A 6 13.960 3.165 0.852 1.00 0.00 C ATOM 78 CD LYS A 6 15.110 2.162 0.789 1.00 0.00 C ATOM 79 CE LYS A 6 15.814 1.989 2.134 1.00 0.00 C ATOM 80 NZ LYS A 6 14.961 1.301 3.144 1.00 0.00 N ATOM 0 H LYS A 6 12.582 4.507 2.840 1.00 0.00 H new ATOM 0 HA LYS A 6 11.254 3.868 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.832 2.139 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.424 1.680 0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.795 3.589 -0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.235 3.990 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.728 1.197 0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.834 2.492 0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.731 1.418 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.105 2.968 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.563 0.753 3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.425 2.009 3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.299 0.660 2.661 1.00 0.00 H new ATOM 94 N LEU A 7 9.932 2.848 3.175 1.00 0.00 N ATOM 95 CA LEU A 7 8.801 2.153 3.845 1.00 0.00 C ATOM 96 C LEU A 7 9.163 0.694 4.139 1.00 0.00 C ATOM 97 O LEU A 7 9.004 0.225 5.268 1.00 0.00 O ATOM 98 CB LEU A 7 7.463 2.198 3.051 1.00 0.00 C ATOM 99 CG LEU A 7 6.620 3.496 3.116 1.00 0.00 C ATOM 100 CD1 LEU A 7 6.359 3.938 4.551 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.256 4.616 2.314 1.00 0.00 C ATOM 0 H LEU A 7 10.468 3.441 3.809 1.00 0.00 H new ATOM 0 HA LEU A 7 8.635 2.703 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.690 2.000 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.839 1.377 3.403 1.00 0.00 H new ATOM 0 HG LEU A 7 5.655 3.264 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.765 4.852 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.817 3.154 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.309 4.125 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.637 5.510 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.248 4.830 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.341 4.313 1.270 1.00 0.00 H new ATOM 113 N ALA A 8 9.647 -0.014 3.112 1.00 0.00 N ATOM 114 CA ALA A 8 10.037 -1.415 3.233 1.00 0.00 C ATOM 115 C ALA A 8 11.194 -1.737 2.282 1.00 0.00 C ATOM 116 O ALA A 8 11.830 -0.825 1.748 1.00 0.00 O ATOM 117 CB ALA A 8 8.838 -2.308 2.947 1.00 0.00 C ATOM 0 H ALA A 8 9.777 0.372 2.177 1.00 0.00 H new ATOM 0 HA ALA A 8 10.379 -1.601 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.133 -3.353 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.044 -2.091 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.477 -2.120 1.936 1.00 0.00 H new ATOM 123 N ASP A 9 11.467 -3.032 2.076 1.00 0.00 N ATOM 124 CA ASP A 9 12.551 -3.461 1.194 1.00 0.00 C ATOM 125 C ASP A 9 12.030 -4.345 0.056 1.00 0.00 C ATOM 126 O ASP A 9 12.457 -4.202 -1.094 1.00 0.00 O ATOM 127 CB ASP A 9 13.617 -4.214 1.998 1.00 0.00 C ATOM 128 CG ASP A 9 14.822 -4.603 1.158 1.00 0.00 C ATOM 129 OD1 ASP A 9 15.493 -3.695 0.624 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.093 -5.817 1.038 1.00 0.00 O ATOM 0 H ASP A 9 10.950 -3.797 2.509 1.00 0.00 H new ATOM 0 HA ASP A 9 12.995 -2.570 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.946 -3.591 2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.174 -5.112 2.428 1.00 0.00 H new ATOM 135 N ARG A 10 11.114 -5.264 0.385 1.00 0.00 N ATOM 136 CA ARG A 10 10.545 -6.177 -0.611 1.00 0.00 C ATOM 137 C ARG A 10 9.018 -6.131 -0.606 1.00 0.00 C ATOM 138 O ARG A 10 8.397 -5.655 0.351 1.00 0.00 O ATOM 139 CB ARG A 10 11.025 -7.607 -0.362 1.00 0.00 C ATOM 140 CG ARG A 10 12.533 -7.771 -0.449 1.00 0.00 C ATOM 141 CD ARG A 10 12.952 -9.194 -0.143 1.00 0.00 C ATOM 142 NE ARG A 10 14.407 -9.346 -0.109 1.00 0.00 N ATOM 143 CZ ARG A 10 15.040 -10.492 0.158 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.358 -11.605 0.419 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.365 -10.525 0.164 1.00 0.00 N ATOM 0 H ARG A 10 10.753 -5.394 1.330 1.00 0.00 H new ATOM 0 HA ARG A 10 10.890 -5.849 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.690 -7.926 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.554 -8.270 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.873 -7.496 -1.447 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.016 -7.089 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.534 -9.495 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.536 -9.863 -0.896 1.00 0.00 H new ATOM 0 HE ARG A 10 14.976 -8.522 -0.302 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.338 -11.591 0.417 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.855 -12.472 0.621 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.897 -9.678 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.853 -11.398 0.367 1.00 0.00 H new ATOM 159 N LYS A 11 8.427 -6.620 -1.700 1.00 0.00 N ATOM 160 CA LYS A 11 6.977 -6.638 -1.876 1.00 0.00 C ATOM 161 C LYS A 11 6.480 -8.025 -2.291 1.00 0.00 C ATOM 162 O LYS A 11 7.275 -8.928 -2.564 1.00 0.00 O ATOM 163 CB LYS A 11 6.591 -5.613 -2.946 1.00 0.00 C ATOM 164 CG LYS A 11 7.334 -5.812 -4.261 1.00 0.00 C ATOM 165 CD LYS A 11 7.150 -4.640 -5.197 1.00 0.00 C ATOM 166 CE LYS A 11 8.062 -4.755 -6.406 1.00 0.00 C ATOM 167 NZ LYS A 11 7.921 -3.591 -7.324 1.00 0.00 N ATOM 0 H LYS A 11 8.943 -7.014 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 11 6.511 -6.386 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.518 -5.674 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.793 -4.610 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.396 -5.952 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.978 -6.722 -4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.112 -4.592 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.360 -3.711 -4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.097 -4.831 -6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.833 -5.673 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.561 -3.709 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.939 -3.533 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.164 -2.717 -6.816 1.00 0.00 H new ATOM 181 N LEU A 12 5.154 -8.163 -2.355 1.00 0.00 N ATOM 182 CA LEU A 12 4.514 -9.411 -2.758 1.00 0.00 C ATOM 183 C LEU A 12 3.673 -9.182 -4.005 1.00 0.00 C ATOM 184 O LEU A 12 2.688 -8.442 -3.966 1.00 0.00 O ATOM 185 CB LEU A 12 3.626 -9.964 -1.632 1.00 0.00 C ATOM 186 CG LEU A 12 4.346 -10.385 -0.344 1.00 0.00 C ATOM 187 CD1 LEU A 12 3.329 -10.709 0.740 1.00 0.00 C ATOM 188 CD2 LEU A 12 5.255 -11.584 -0.591 1.00 0.00 C ATOM 0 H LEU A 12 4.499 -7.415 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 12 5.295 -10.140 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.884 -9.207 -1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.082 -10.826 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 12 4.967 -9.553 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.850 -11.007 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.720 -9.828 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.688 -11.525 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.753 -11.861 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.660 -12.424 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.003 -11.325 -1.340 1.00 0.00 H new ATOM 200 N CYS A 13 4.077 -9.810 -5.108 1.00 0.00 N ATOM 201 CA CYS A 13 3.372 -9.679 -6.380 1.00 0.00 C ATOM 202 C CYS A 13 2.916 -11.047 -6.885 1.00 0.00 C ATOM 203 O CYS A 13 3.287 -12.079 -6.318 1.00 0.00 O ATOM 204 CB CYS A 13 4.282 -9.013 -7.418 1.00 0.00 C ATOM 205 SG CYS A 13 4.948 -7.395 -6.903 1.00 0.00 S ATOM 0 H CYS A 13 4.895 -10.418 -5.145 1.00 0.00 H new ATOM 0 HA CYS A 13 2.491 -9.056 -6.225 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.114 -9.682 -7.637 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.723 -8.885 -8.345 1.00 0.00 H new ATOM 210 N ALA A 14 2.112 -11.048 -7.951 1.00 0.00 N ATOM 211 CA ALA A 14 1.604 -12.287 -8.535 1.00 0.00 C ATOM 212 C ALA A 14 2.651 -12.943 -9.431 1.00 0.00 C ATOM 213 O ALA A 14 2.838 -14.160 -9.383 1.00 0.00 O ATOM 214 CB ALA A 14 0.320 -12.023 -9.308 1.00 0.00 C ATOM 0 H ALA A 14 1.799 -10.202 -8.427 1.00 0.00 H new ATOM 0 HA ALA A 14 1.382 -12.979 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.045 -12.956 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.433 -11.614 -8.634 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.517 -11.309 -10.108 1.00 0.00 H new ATOM 220 N ASP A 15 3.337 -12.125 -10.233 1.00 0.00 N ATOM 221 CA ASP A 15 4.384 -12.612 -11.134 1.00 0.00 C ATOM 222 C ASP A 15 5.690 -11.854 -10.909 1.00 0.00 C ATOM 223 O ASP A 15 5.735 -10.895 -10.132 1.00 0.00 O ATOM 224 CB ASP A 15 3.950 -12.488 -12.603 1.00 0.00 C ATOM 225 CG ASP A 15 2.972 -13.571 -13.042 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.576 -14.409 -12.204 1.00 0.00 O ATOM 227 OD2 ASP A 15 2.607 -13.583 -14.236 1.00 0.00 O ATOM 0 H ASP A 15 3.185 -11.117 -10.276 1.00 0.00 H new ATOM 0 HA ASP A 15 4.548 -13.666 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.491 -11.511 -12.757 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.834 -12.528 -13.239 1.00 0.00 H new ATOM 232 N GLN A 16 6.751 -12.296 -11.595 1.00 0.00 N ATOM 233 CA GLN A 16 8.076 -11.680 -11.485 1.00 0.00 C ATOM 234 C GLN A 16 8.081 -10.258 -12.065 1.00 0.00 C ATOM 235 O GLN A 16 8.957 -9.449 -11.742 1.00 0.00 O ATOM 236 CB GLN A 16 9.113 -12.561 -12.198 1.00 0.00 C ATOM 237 CG GLN A 16 10.560 -12.163 -11.937 1.00 0.00 C ATOM 238 CD GLN A 16 11.552 -13.056 -12.657 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.601 -14.265 -12.427 1.00 0.00 O ATOM 240 NE2 GLN A 16 12.349 -12.464 -13.539 1.00 0.00 N ATOM 0 H GLN A 16 6.714 -13.087 -12.238 1.00 0.00 H new ATOM 0 HA GLN A 16 8.336 -11.602 -10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.971 -13.595 -11.884 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.927 -12.525 -13.271 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.711 -11.131 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.755 -12.200 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.275 -11.459 -13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.035 -13.014 -14.056 1.00 0.00 H new ATOM 249 N GLU A 17 7.091 -9.956 -12.910 1.00 0.00 N ATOM 250 CA GLU A 17 6.975 -8.632 -13.524 1.00 0.00 C ATOM 251 C GLU A 17 6.160 -7.700 -12.638 1.00 0.00 C ATOM 252 O GLU A 17 6.214 -6.478 -12.806 1.00 0.00 O ATOM 253 CB GLU A 17 6.285 -8.722 -14.892 1.00 0.00 C ATOM 254 CG GLU A 17 6.955 -9.669 -15.871 1.00 0.00 C ATOM 255 CD GLU A 17 6.305 -9.675 -17.248 1.00 0.00 C ATOM 256 OE1 GLU A 17 5.316 -8.936 -17.453 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.788 -10.423 -18.124 1.00 0.00 O ATOM 0 H GLU A 17 6.359 -10.611 -13.184 1.00 0.00 H new ATOM 0 HA GLU A 17 7.985 -8.241 -13.647 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.253 -9.041 -14.745 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.250 -7.726 -15.334 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.004 -9.391 -15.974 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.931 -10.679 -15.462 1.00 0.00 H new ATOM 264 N CYS A 18 5.381 -8.301 -11.718 1.00 0.00 N ATOM 265 CA CYS A 18 4.500 -7.562 -10.803 1.00 0.00 C ATOM 266 C CYS A 18 3.491 -6.735 -11.612 1.00 0.00 C ATOM 267 O CYS A 18 2.991 -5.699 -11.165 1.00 0.00 O ATOM 268 CB CYS A 18 5.308 -6.679 -9.837 1.00 0.00 C ATOM 269 SG CYS A 18 4.368 -6.121 -8.376 1.00 0.00 S ATOM 0 H CYS A 18 5.347 -9.312 -11.591 1.00 0.00 H new ATOM 0 HA CYS A 18 3.951 -8.278 -10.191 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.185 -7.233 -9.502 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.671 -5.805 -10.378 1.00 0.00 H new ATOM 274 N SER A 19 3.209 -7.231 -12.819 1.00 0.00 N ATOM 275 CA SER A 19 2.280 -6.599 -13.743 1.00 0.00 C ATOM 276 C SER A 19 0.944 -7.351 -13.730 1.00 0.00 C ATOM 277 O SER A 19 0.324 -7.596 -14.770 1.00 0.00 O ATOM 278 CB SER A 19 2.907 -6.575 -15.140 1.00 0.00 C ATOM 279 OG SER A 19 2.033 -6.007 -16.102 1.00 0.00 O ATOM 0 H SER A 19 3.625 -8.089 -13.180 1.00 0.00 H new ATOM 0 HA SER A 19 2.080 -5.571 -13.439 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.835 -6.005 -15.112 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.166 -7.591 -15.439 1.00 0.00 H new ATOM 0 HG SER A 19 1.149 -6.423 -16.026 1.00 0.00 H new ATOM 285 N HIS A 20 0.525 -7.730 -12.520 1.00 0.00 N ATOM 286 CA HIS A 20 -0.715 -8.474 -12.308 1.00 0.00 C ATOM 287 C HIS A 20 -1.426 -8.022 -11.023 1.00 0.00 C ATOM 288 O HIS A 20 -0.764 -7.736 -10.024 1.00 0.00 O ATOM 289 CB HIS A 20 -0.403 -9.966 -12.209 1.00 0.00 C ATOM 290 CG HIS A 20 -0.451 -10.700 -13.508 1.00 0.00 C ATOM 291 ND1 HIS A 20 -1.625 -11.159 -14.058 1.00 0.00 N ATOM 292 CD2 HIS A 20 0.534 -11.084 -14.354 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.363 -11.802 -15.179 1.00 0.00 C ATOM 294 NE2 HIS A 20 -0.060 -11.768 -15.385 1.00 0.00 N ATOM 0 H HIS A 20 1.037 -7.529 -11.661 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.375 -8.280 -13.154 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.589 -10.088 -11.775 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.111 -10.427 -11.520 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.590 -10.889 -14.239 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.091 -12.276 -15.820 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.426 -12.182 -16.180 1.00 0.00 H new ATOM 303 N PRO A 21 -2.790 -7.969 -11.015 1.00 0.00 N ATOM 304 CA PRO A 21 -3.553 -7.574 -9.840 1.00 0.00 C ATOM 305 C PRO A 21 -3.901 -8.776 -8.959 1.00 0.00 C ATOM 306 O PRO A 21 -4.613 -9.690 -9.391 1.00 0.00 O ATOM 307 CB PRO A 21 -4.815 -6.946 -10.441 1.00 0.00 C ATOM 308 CG PRO A 21 -4.948 -7.507 -11.828 1.00 0.00 C ATOM 309 CD PRO A 21 -3.699 -8.302 -12.129 1.00 0.00 C ATOM 0 HA PRO A 21 -3.002 -6.897 -9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.692 -7.185 -9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.733 -5.859 -10.468 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.831 -8.142 -11.900 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.073 -6.704 -12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.906 -9.371 -12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.270 -8.023 -13.092 1.00 0.00 H new ATOM 317 N ILE A 22 -3.380 -8.778 -7.731 1.00 0.00 N ATOM 318 CA ILE A 22 -3.619 -9.874 -6.796 1.00 0.00 C ATOM 319 C ILE A 22 -5.090 -9.954 -6.395 1.00 0.00 C ATOM 320 O ILE A 22 -5.761 -10.933 -6.706 1.00 0.00 O ATOM 321 CB ILE A 22 -2.744 -9.760 -5.521 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.259 -9.660 -5.905 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.985 -10.962 -4.598 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.347 -9.283 -4.754 1.00 0.00 C ATOM 0 H ILE A 22 -2.790 -8.032 -7.362 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.340 -10.787 -7.322 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.024 -8.854 -4.983 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.935 -10.617 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.149 -8.921 -6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.364 -10.867 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.035 -10.992 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.728 -11.882 -5.124 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.683 -9.233 -5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.642 -8.311 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.425 -10.033 -3.967 1.00 0.00 H new ATOM 336 N SER A 23 -5.580 -8.933 -5.694 1.00 0.00 N ATOM 337 CA SER A 23 -6.969 -8.921 -5.246 1.00 0.00 C ATOM 338 C SER A 23 -7.613 -7.551 -5.409 1.00 0.00 C ATOM 339 O SER A 23 -6.968 -6.517 -5.211 1.00 0.00 O ATOM 340 CB SER A 23 -7.054 -9.349 -3.779 1.00 0.00 C ATOM 341 OG SER A 23 -6.488 -10.634 -3.586 1.00 0.00 O ATOM 0 H SER A 23 -5.040 -8.110 -5.426 1.00 0.00 H new ATOM 0 HA SER A 23 -7.514 -9.626 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.534 -8.622 -3.155 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.096 -9.356 -3.459 1.00 0.00 H new ATOM 0 HG SER A 23 -6.453 -10.835 -2.628 1.00 0.00 H new ATOM 347 N MET A 24 -8.902 -7.566 -5.745 1.00 0.00 N ATOM 348 CA MET A 24 -9.682 -6.349 -5.913 1.00 0.00 C ATOM 349 C MET A 24 -10.321 -5.995 -4.573 1.00 0.00 C ATOM 350 O MET A 24 -11.158 -6.744 -4.062 1.00 0.00 O ATOM 351 CB MET A 24 -10.742 -6.559 -6.999 1.00 0.00 C ATOM 352 CG MET A 24 -11.445 -5.282 -7.431 1.00 0.00 C ATOM 353 SD MET A 24 -12.928 -4.914 -6.465 1.00 0.00 S ATOM 354 CE MET A 24 -14.011 -6.251 -6.964 1.00 0.00 C ATOM 0 H MET A 24 -9.431 -8.423 -5.907 1.00 0.00 H new ATOM 0 HA MET A 24 -9.043 -5.525 -6.229 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.270 -7.014 -7.870 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.487 -7.266 -6.634 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.749 -4.447 -7.346 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.717 -5.365 -8.483 1.00 0.00 H new ATOM 0 HE1 MET A 24 -15.049 -5.953 -6.815 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.846 -6.479 -8.017 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.798 -7.135 -6.364 1.00 0.00 H new ATOM 364 N ALA A 25 -9.898 -4.872 -3.993 1.00 0.00 N ATOM 365 CA ALA A 25 -10.408 -4.450 -2.693 1.00 0.00 C ATOM 366 C ALA A 25 -11.219 -3.166 -2.778 1.00 0.00 C ATOM 367 O ALA A 25 -10.933 -2.284 -3.592 1.00 0.00 O ATOM 368 CB ALA A 25 -9.255 -4.274 -1.716 1.00 0.00 C ATOM 0 H ALA A 25 -9.207 -4.243 -4.402 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.078 -5.233 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.644 -3.959 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.725 -5.220 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.569 -3.517 -2.095 1.00 0.00 H new ATOM 374 N VAL A 26 -12.228 -3.072 -1.914 1.00 0.00 N ATOM 375 CA VAL A 26 -13.099 -1.897 -1.856 1.00 0.00 C ATOM 376 C VAL A 26 -12.593 -0.922 -0.786 1.00 0.00 C ATOM 377 O VAL A 26 -12.167 -1.346 0.292 1.00 0.00 O ATOM 378 CB VAL A 26 -14.566 -2.299 -1.548 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.496 -1.092 -1.617 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.039 -3.382 -2.509 1.00 0.00 C ATOM 0 H VAL A 26 -12.464 -3.800 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.076 -1.412 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.595 -2.693 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.516 -1.406 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.180 -0.347 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.457 -0.660 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.070 -3.650 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.983 -3.010 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.404 -4.262 -2.407 1.00 0.00 H new ATOM 390 N ALA A 27 -12.643 0.380 -1.095 1.00 0.00 N ATOM 391 CA ALA A 27 -12.192 1.416 -0.164 1.00 0.00 C ATOM 392 C ALA A 27 -13.324 1.851 0.759 1.00 0.00 C ATOM 393 O ALA A 27 -14.453 2.071 0.310 1.00 0.00 O ATOM 394 CB ALA A 27 -11.644 2.609 -0.921 1.00 0.00 C ATOM 0 H ALA A 27 -12.992 0.739 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.395 0.994 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.314 3.369 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.800 2.294 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.423 3.023 -1.560 1.00 0.00 H new ATOM 400 N LEU A 28 -13.015 1.953 2.051 1.00 0.00 N ATOM 401 CA LEU A 28 -14.003 2.334 3.058 1.00 0.00 C ATOM 402 C LEU A 28 -13.751 3.721 3.653 1.00 0.00 C ATOM 403 O LEU A 28 -14.514 4.156 4.521 1.00 0.00 O ATOM 404 CB LEU A 28 -14.028 1.296 4.193 1.00 0.00 C ATOM 405 CG LEU A 28 -14.828 0.009 3.924 1.00 0.00 C ATOM 406 CD1 LEU A 28 -14.088 -0.917 2.967 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.124 -0.707 5.232 1.00 0.00 C ATOM 0 H LEU A 28 -12.083 1.776 2.426 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.965 2.368 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.000 1.017 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.437 1.773 5.084 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.769 0.291 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.681 -1.816 2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.927 -0.406 2.018 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.126 -1.193 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.690 -1.616 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.187 -0.966 5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.707 -0.053 5.881 1.00 0.00 H new ATOM 419 N GLN A 29 -12.689 4.419 3.215 1.00 0.00 N ATOM 420 CA GLN A 29 -12.388 5.755 3.762 1.00 0.00 C ATOM 421 C GLN A 29 -11.854 6.734 2.719 1.00 0.00 C ATOM 422 O GLN A 29 -11.500 6.357 1.600 1.00 0.00 O ATOM 423 CB GLN A 29 -11.342 5.677 4.885 1.00 0.00 C ATOM 424 CG GLN A 29 -11.745 4.846 6.083 1.00 0.00 C ATOM 425 CD GLN A 29 -11.204 5.414 7.377 1.00 0.00 C ATOM 426 OE1 GLN A 29 -10.001 5.370 7.636 1.00 0.00 O ATOM 427 NE2 GLN A 29 -12.092 5.972 8.188 1.00 0.00 N ATOM 0 H GLN A 29 -12.038 4.091 2.501 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.344 6.120 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.419 5.268 4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.119 6.689 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.832 4.793 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.382 3.826 5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.079 5.985 7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.788 6.388 9.068 1.00 0.00 H new ATOM 436 N ASP A 30 -11.767 8.002 3.147 1.00 0.00 N ATOM 437 CA ASP A 30 -11.239 9.092 2.330 1.00 0.00 C ATOM 438 C ASP A 30 -9.763 9.306 2.666 1.00 0.00 C ATOM 439 O ASP A 30 -9.383 9.281 3.841 1.00 0.00 O ATOM 440 CB ASP A 30 -12.014 10.388 2.596 1.00 0.00 C ATOM 441 CG ASP A 30 -13.474 10.299 2.196 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.752 10.207 0.983 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.339 10.322 3.097 1.00 0.00 O ATOM 0 H ASP A 30 -12.065 8.297 4.077 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.348 8.828 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.948 10.633 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.543 11.205 2.050 1.00 0.00 H new ATOM 448 N TYR A 31 -8.936 9.509 1.640 1.00 0.00 N ATOM 449 CA TYR A 31 -7.502 9.716 1.833 1.00 0.00 C ATOM 450 C TYR A 31 -6.915 10.595 0.727 1.00 0.00 C ATOM 451 O TYR A 31 -7.303 10.484 -0.438 1.00 0.00 O ATOM 452 CB TYR A 31 -6.772 8.365 1.851 1.00 0.00 C ATOM 453 CG TYR A 31 -5.403 8.412 2.504 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.269 8.550 3.883 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.248 8.315 1.740 1.00 0.00 C ATOM 456 CE1 TYR A 31 -4.022 8.591 4.477 1.00 0.00 C ATOM 457 CE2 TYR A 31 -3.000 8.355 2.327 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.891 8.493 3.695 1.00 0.00 C ATOM 459 OH TYR A 31 -1.648 8.535 4.282 1.00 0.00 O ATOM 0 H TYR A 31 -9.236 9.534 0.665 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.364 10.222 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.389 7.637 2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.663 8.009 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.154 8.626 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.328 8.206 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.934 8.699 5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.112 8.279 1.718 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.960 8.372 3.603 1.00 0.00 H new ATOM 469 N MET A 32 -5.961 11.450 1.102 1.00 0.00 N ATOM 470 CA MET A 32 -5.289 12.338 0.153 1.00 0.00 C ATOM 471 C MET A 32 -3.819 11.947 0.021 1.00 0.00 C ATOM 472 O MET A 32 -3.190 11.561 1.008 1.00 0.00 O ATOM 473 CB MET A 32 -5.404 13.798 0.602 1.00 0.00 C ATOM 474 CG MET A 32 -6.840 14.303 0.716 1.00 0.00 C ATOM 475 SD MET A 32 -7.726 14.322 -0.858 1.00 0.00 S ATOM 476 CE MET A 32 -6.824 15.582 -1.760 1.00 0.00 C ATOM 0 H MET A 32 -5.635 11.546 2.064 1.00 0.00 H new ATOM 0 HA MET A 32 -5.775 12.236 -0.817 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.913 13.909 1.569 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.864 14.428 -0.104 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.383 13.674 1.421 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.830 15.311 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.396 15.880 -2.639 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.668 16.449 -1.117 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.859 15.185 -2.073 1.00 0.00 H new ATOM 486 N ALA A 33 -3.284 12.035 -1.201 1.00 0.00 N ATOM 487 CA ALA A 33 -1.889 11.672 -1.463 1.00 0.00 C ATOM 488 C ALA A 33 -0.920 12.821 -1.145 1.00 0.00 C ATOM 489 O ALA A 33 -0.932 13.843 -1.838 1.00 0.00 O ATOM 490 CB ALA A 33 -1.721 11.249 -2.912 1.00 0.00 C ATOM 0 H ALA A 33 -3.796 12.354 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.644 10.839 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.680 10.982 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.358 10.388 -3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.004 12.073 -3.567 1.00 0.00 H new ATOM 496 N PRO A 34 -0.055 12.682 -0.100 1.00 0.00 N ATOM 497 CA PRO A 34 0.909 13.720 0.269 1.00 0.00 C ATOM 498 C PRO A 34 2.119 13.750 -0.671 1.00 0.00 C ATOM 499 O PRO A 34 2.406 14.779 -1.286 1.00 0.00 O ATOM 500 CB PRO A 34 1.349 13.333 1.692 1.00 0.00 C ATOM 501 CG PRO A 34 0.490 12.178 2.086 1.00 0.00 C ATOM 502 CD PRO A 34 0.065 11.528 0.807 1.00 0.00 C ATOM 0 HA PRO A 34 0.468 14.715 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.404 13.060 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.221 14.168 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.040 11.479 2.715 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.374 12.512 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.801 10.806 0.453 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.879 10.994 0.915 1.00 0.00 H new ATOM 510 N ASP A 35 2.827 12.616 -0.764 1.00 0.00 N ATOM 511 CA ASP A 35 4.014 12.512 -1.615 1.00 0.00 C ATOM 512 C ASP A 35 3.681 12.017 -3.030 1.00 0.00 C ATOM 513 O ASP A 35 2.564 11.568 -3.310 1.00 0.00 O ATOM 514 CB ASP A 35 5.065 11.609 -0.959 1.00 0.00 C ATOM 515 CG ASP A 35 4.550 10.215 -0.661 1.00 0.00 C ATOM 516 OD1 ASP A 35 4.210 9.492 -1.618 1.00 0.00 O ATOM 517 OD2 ASP A 35 4.490 9.848 0.531 1.00 0.00 O ATOM 0 H ASP A 35 2.596 11.760 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 35 4.423 13.517 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.933 11.537 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.404 12.071 -0.031 1.00 0.00 H new ATOM 522 N CYS A 36 4.684 12.125 -3.905 1.00 0.00 N ATOM 523 CA CYS A 36 4.589 11.734 -5.317 1.00 0.00 C ATOM 524 C CYS A 36 4.276 10.244 -5.536 1.00 0.00 C ATOM 525 O CYS A 36 3.749 9.877 -6.590 1.00 0.00 O ATOM 526 CB CYS A 36 5.914 12.095 -6.007 1.00 0.00 C ATOM 527 SG CYS A 36 6.066 11.558 -7.744 1.00 0.00 S ATOM 0 H CYS A 36 5.601 12.492 -3.650 1.00 0.00 H new ATOM 0 HA CYS A 36 3.748 12.278 -5.748 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.042 13.177 -5.967 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.732 11.656 -5.436 1.00 0.00 H new ATOM 532 N ARG A 37 4.611 9.383 -4.569 1.00 0.00 N ATOM 533 CA ARG A 37 4.370 7.944 -4.733 1.00 0.00 C ATOM 534 C ARG A 37 3.139 7.440 -3.966 1.00 0.00 C ATOM 535 O ARG A 37 2.975 6.232 -3.794 1.00 0.00 O ATOM 536 CB ARG A 37 5.634 7.139 -4.357 1.00 0.00 C ATOM 537 CG ARG A 37 6.176 7.422 -2.962 1.00 0.00 C ATOM 538 CD ARG A 37 5.686 6.410 -1.936 1.00 0.00 C ATOM 539 NE ARG A 37 6.504 5.197 -1.922 1.00 0.00 N ATOM 540 CZ ARG A 37 6.314 4.175 -1.083 1.00 0.00 C ATOM 541 NH1 ARG A 37 5.305 4.185 -0.215 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.126 3.129 -1.124 1.00 0.00 N ATOM 0 H ARG A 37 5.041 9.648 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 37 4.147 7.783 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.408 6.076 -4.436 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.415 7.353 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.266 7.411 -2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.875 8.423 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.697 6.865 -0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.651 6.146 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 37 7.267 5.127 -2.595 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.666 4.979 -0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.171 3.398 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.894 3.105 -1.795 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.983 2.347 -0.485 1.00 0.00 H new ATOM 556 N PHE A 38 2.264 8.352 -3.531 1.00 0.00 N ATOM 557 CA PHE A 38 1.049 7.948 -2.812 1.00 0.00 C ATOM 558 C PHE A 38 -0.197 8.164 -3.674 1.00 0.00 C ATOM 559 O PHE A 38 -0.147 8.881 -4.677 1.00 0.00 O ATOM 560 CB PHE A 38 0.926 8.697 -1.478 1.00 0.00 C ATOM 561 CG PHE A 38 1.237 7.852 -0.259 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.466 7.217 -0.104 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.287 7.694 0.737 1.00 0.00 C ATOM 564 CE1 PHE A 38 2.732 6.449 1.014 1.00 0.00 C ATOM 565 CE2 PHE A 38 0.550 6.927 1.856 1.00 0.00 C ATOM 566 CZ PHE A 38 1.773 6.305 1.994 1.00 0.00 C ATOM 0 H PHE A 38 2.370 9.358 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 38 1.128 6.883 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.599 9.555 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.087 9.088 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.222 7.326 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.674 8.178 0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.690 5.962 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.202 6.815 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.979 5.706 2.869 1.00 0.00 H new ATOM 576 N LEU A 39 -1.308 7.520 -3.287 1.00 0.00 N ATOM 577 CA LEU A 39 -2.568 7.621 -4.037 1.00 0.00 C ATOM 578 C LEU A 39 -3.664 8.348 -3.261 1.00 0.00 C ATOM 579 O LEU A 39 -3.744 8.250 -2.034 1.00 0.00 O ATOM 580 CB LEU A 39 -3.080 6.223 -4.405 1.00 0.00 C ATOM 581 CG LEU A 39 -2.361 5.532 -5.565 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.678 4.046 -5.569 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.764 6.154 -6.895 1.00 0.00 C ATOM 0 H LEU A 39 -1.359 6.925 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.345 8.201 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.003 5.586 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.139 6.299 -4.653 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.288 5.666 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.160 3.566 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.349 3.601 -4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.753 3.904 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.241 5.648 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.840 6.049 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.500 7.211 -6.897 1.00 0.00 H new ATOM 595 N THR A 40 -4.529 9.043 -4.009 1.00 0.00 N ATOM 596 CA THR A 40 -5.665 9.759 -3.432 1.00 0.00 C ATOM 597 C THR A 40 -6.915 8.899 -3.610 1.00 0.00 C ATOM 598 O THR A 40 -7.368 8.670 -4.735 1.00 0.00 O ATOM 599 CB THR A 40 -5.846 11.132 -4.099 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.659 11.896 -4.000 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.963 11.962 -3.494 1.00 0.00 C ATOM 0 H THR A 40 -4.460 9.123 -5.024 1.00 0.00 H new ATOM 0 HA THR A 40 -5.487 9.938 -2.372 1.00 0.00 H new ATOM 0 HB THR A 40 -6.099 10.910 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.793 12.766 -4.431 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.031 12.917 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.908 11.427 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.754 12.139 -2.439 1.00 0.00 H new ATOM 609 N ILE A 41 -7.436 8.398 -2.495 1.00 0.00 N ATOM 610 CA ILE A 41 -8.606 7.522 -2.508 1.00 0.00 C ATOM 611 C ILE A 41 -9.838 8.206 -1.911 1.00 0.00 C ATOM 612 O ILE A 41 -9.727 9.077 -1.058 1.00 0.00 O ATOM 613 CB ILE A 41 -8.269 6.204 -1.743 1.00 0.00 C ATOM 614 CG1 ILE A 41 -7.305 5.359 -2.582 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.518 5.391 -1.402 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.613 4.254 -1.806 1.00 0.00 C ATOM 0 H ILE A 41 -7.064 8.584 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.852 7.287 -3.544 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.801 6.481 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.856 4.916 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.548 6.013 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.228 4.484 -0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.178 5.986 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.039 5.122 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.949 3.703 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.033 4.689 -0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.360 3.575 -1.396 1.00 0.00 H new ATOM 628 N HIS A 42 -11.012 7.771 -2.368 1.00 0.00 N ATOM 629 CA HIS A 42 -12.283 8.285 -1.885 1.00 0.00 C ATOM 630 C HIS A 42 -13.073 7.145 -1.258 1.00 0.00 C ATOM 631 O HIS A 42 -12.912 5.986 -1.651 1.00 0.00 O ATOM 632 CB HIS A 42 -13.080 8.928 -3.024 1.00 0.00 C ATOM 633 CG HIS A 42 -12.489 10.210 -3.525 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.319 11.324 -2.727 1.00 0.00 N ATOM 635 CD2 HIS A 42 -12.025 10.555 -4.750 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.780 12.297 -3.440 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.591 11.856 -4.669 1.00 0.00 N ATOM 0 H HIS A 42 -11.103 7.051 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.097 9.055 -1.136 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.148 8.222 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.098 9.117 -2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.001 9.925 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -11.536 13.285 -3.078 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.188 12.394 -5.436 1.00 0.00 H new ATOM 646 N ARG A 43 -13.905 7.476 -0.274 1.00 0.00 N ATOM 647 CA ARG A 43 -14.715 6.485 0.430 1.00 0.00 C ATOM 648 C ARG A 43 -15.707 5.813 -0.529 1.00 0.00 C ATOM 649 O ARG A 43 -16.736 6.395 -0.884 1.00 0.00 O ATOM 650 CB ARG A 43 -15.443 7.160 1.600 1.00 0.00 C ATOM 651 CG ARG A 43 -16.085 6.194 2.574 1.00 0.00 C ATOM 652 CD ARG A 43 -16.802 6.933 3.692 1.00 0.00 C ATOM 653 NE ARG A 43 -17.311 6.025 4.722 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.364 5.208 4.573 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.070 5.197 3.444 1.00 0.00 N ATOM 656 NH2 ARG A 43 -18.717 4.404 5.567 1.00 0.00 N ATOM 0 H ARG A 43 -14.037 8.432 0.056 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.065 5.704 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.734 7.786 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.212 7.821 1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.793 5.556 2.044 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.322 5.540 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.118 7.649 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.630 7.505 3.274 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.828 6.013 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.813 5.816 2.676 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.868 4.569 3.348 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.188 4.409 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.517 3.781 5.459 1.00 0.00 H new ATOM 670 N GLY A 44 -15.374 4.584 -0.950 1.00 0.00 N ATOM 671 CA GLY A 44 -16.226 3.843 -1.869 1.00 0.00 C ATOM 672 C GLY A 44 -15.611 3.672 -3.252 1.00 0.00 C ATOM 673 O GLY A 44 -16.321 3.351 -4.208 1.00 0.00 O ATOM 0 H GLY A 44 -14.526 4.092 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.435 2.860 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.181 4.359 -1.965 1.00 0.00 H new ATOM 677 N GLN A 45 -14.291 3.884 -3.361 1.00 0.00 N ATOM 678 CA GLN A 45 -13.589 3.749 -4.639 1.00 0.00 C ATOM 679 C GLN A 45 -13.033 2.339 -4.833 1.00 0.00 C ATOM 680 O GLN A 45 -12.580 1.703 -3.880 1.00 0.00 O ATOM 681 CB GLN A 45 -12.452 4.774 -4.735 1.00 0.00 C ATOM 682 CG GLN A 45 -12.805 5.988 -5.583 1.00 0.00 C ATOM 683 CD GLN A 45 -11.586 6.786 -6.012 1.00 0.00 C ATOM 684 OE1 GLN A 45 -10.829 7.285 -5.183 1.00 0.00 O ATOM 685 NE2 GLN A 45 -11.392 6.909 -7.319 1.00 0.00 N ATOM 0 H GLN A 45 -13.692 4.149 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.314 3.937 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.186 5.106 -3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.570 4.290 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.348 5.660 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.477 6.636 -5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.045 6.479 -7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.590 7.434 -7.668 1.00 0.00 H new ATOM 694 N VAL A 46 -13.065 1.867 -6.081 1.00 0.00 N ATOM 695 CA VAL A 46 -12.557 0.536 -6.427 1.00 0.00 C ATOM 696 C VAL A 46 -11.044 0.602 -6.626 1.00 0.00 C ATOM 697 O VAL A 46 -10.566 1.288 -7.531 1.00 0.00 O ATOM 698 CB VAL A 46 -13.217 -0.011 -7.720 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.870 -1.479 -7.930 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.726 0.183 -7.694 1.00 0.00 C ATOM 0 H VAL A 46 -13.439 2.389 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.803 -0.138 -5.607 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.818 0.559 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.345 -1.838 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.789 -1.589 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.227 -2.062 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.159 -0.210 -8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.146 -0.347 -6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.955 1.245 -7.611 1.00 0.00 H new ATOM 710 N VAL A 47 -10.295 -0.097 -5.768 1.00 0.00 N ATOM 711 CA VAL A 47 -8.833 -0.094 -5.850 1.00 0.00 C ATOM 712 C VAL A 47 -8.285 -1.503 -6.075 1.00 0.00 C ATOM 713 O VAL A 47 -8.677 -2.447 -5.390 1.00 0.00 O ATOM 714 CB VAL A 47 -8.189 0.499 -4.570 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.710 0.783 -4.791 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.909 1.766 -4.120 1.00 0.00 C ATOM 0 H VAL A 47 -10.675 -0.669 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.572 0.534 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.288 -0.244 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.279 1.198 -3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.196 -0.144 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.595 1.498 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.432 2.155 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.858 2.514 -4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.953 1.535 -3.906 1.00 0.00 H new ATOM 726 N TYR A 48 -7.365 -1.627 -7.037 1.00 0.00 N ATOM 727 CA TYR A 48 -6.744 -2.912 -7.354 1.00 0.00 C ATOM 728 C TYR A 48 -5.351 -2.995 -6.734 1.00 0.00 C ATOM 729 O TYR A 48 -4.504 -2.130 -6.976 1.00 0.00 O ATOM 730 CB TYR A 48 -6.650 -3.131 -8.874 1.00 0.00 C ATOM 731 CG TYR A 48 -7.984 -3.315 -9.581 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.878 -2.259 -9.742 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.345 -4.556 -10.092 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.086 -2.439 -10.390 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.551 -4.741 -10.740 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.417 -3.680 -10.886 1.00 0.00 C ATOM 737 OH TYR A 48 -11.619 -3.861 -11.531 1.00 0.00 O ATOM 0 H TYR A 48 -7.035 -0.850 -7.609 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.374 -3.696 -6.934 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.135 -2.279 -9.318 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.032 -4.009 -9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.623 -1.284 -9.354 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.670 -5.392 -9.980 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.767 -1.609 -10.507 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.814 -5.713 -11.130 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.698 -4.794 -11.821 1.00 0.00 H new ATOM 747 N VAL A 49 -5.125 -4.038 -5.931 1.00 0.00 N ATOM 748 CA VAL A 49 -3.835 -4.240 -5.266 1.00 0.00 C ATOM 749 C VAL A 49 -2.876 -5.008 -6.177 1.00 0.00 C ATOM 750 O VAL A 49 -3.237 -6.048 -6.729 1.00 0.00 O ATOM 751 CB VAL A 49 -4.002 -5.005 -3.926 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.683 -5.078 -3.164 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.079 -4.357 -3.065 1.00 0.00 C ATOM 0 H VAL A 49 -5.819 -4.756 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.420 -3.255 -5.052 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.313 -6.023 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.832 -5.620 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.941 -5.597 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.332 -4.069 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.179 -4.909 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.800 -3.326 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.029 -4.372 -3.599 1.00 0.00 H new ATOM 763 N PHE A 50 -1.658 -4.481 -6.330 1.00 0.00 N ATOM 764 CA PHE A 50 -0.639 -5.104 -7.175 1.00 0.00 C ATOM 765 C PHE A 50 0.526 -5.650 -6.347 1.00 0.00 C ATOM 766 O PHE A 50 1.040 -6.733 -6.636 1.00 0.00 O ATOM 767 CB PHE A 50 -0.110 -4.106 -8.217 1.00 0.00 C ATOM 768 CG PHE A 50 -0.999 -3.924 -9.425 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.250 -3.328 -9.319 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.575 -4.356 -10.672 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.054 -3.170 -10.431 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.378 -4.199 -11.787 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.618 -3.606 -11.666 1.00 0.00 C ATOM 0 H PHE A 50 -1.354 -3.620 -5.876 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.115 -5.940 -7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.028 -3.138 -7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.872 -4.438 -8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.598 -2.984 -8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.394 -4.821 -10.774 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.024 -2.705 -10.334 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.035 -4.541 -12.752 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.246 -3.483 -12.536 1.00 0.00 H new ATOM 783 N SER A 51 0.949 -4.890 -5.329 1.00 0.00 N ATOM 784 CA SER A 51 2.066 -5.302 -4.474 1.00 0.00 C ATOM 785 C SER A 51 1.798 -5.021 -2.998 1.00 0.00 C ATOM 786 O SER A 51 1.193 -4.007 -2.649 1.00 0.00 O ATOM 787 CB SER A 51 3.349 -4.586 -4.897 1.00 0.00 C ATOM 788 OG SER A 51 3.184 -3.178 -4.869 1.00 0.00 O ATOM 0 H SER A 51 0.536 -3.991 -5.079 1.00 0.00 H new ATOM 0 HA SER A 51 2.180 -6.379 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.164 -4.872 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.630 -4.902 -5.902 1.00 0.00 H new ATOM 0 HG SER A 51 4.020 -2.745 -5.142 1.00 0.00 H new ATOM 794 N LYS A 52 2.276 -5.927 -2.137 1.00 0.00 N ATOM 795 CA LYS A 52 2.119 -5.788 -0.684 1.00 0.00 C ATOM 796 C LYS A 52 3.495 -5.789 -0.016 1.00 0.00 C ATOM 797 O LYS A 52 4.202 -6.798 -0.054 1.00 0.00 O ATOM 798 CB LYS A 52 1.263 -6.927 -0.110 1.00 0.00 C ATOM 799 CG LYS A 52 -0.025 -7.188 -0.879 1.00 0.00 C ATOM 800 CD LYS A 52 -0.780 -8.380 -0.313 1.00 0.00 C ATOM 801 CE LYS A 52 -2.056 -8.652 -1.091 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.802 -9.818 -0.544 1.00 0.00 N ATOM 0 H LYS A 52 2.777 -6.768 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 52 1.612 -4.844 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.856 -7.841 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.014 -6.693 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.659 -6.302 -0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.207 -7.368 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.141 -9.263 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.023 -8.194 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.693 -7.768 -1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.811 -8.836 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.819 -9.601 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.637 -10.650 -1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.472 -10.019 0.422 1.00 0.00 H new ATOM 816 N LEU A 53 3.880 -4.654 0.577 1.00 0.00 N ATOM 817 CA LEU A 53 5.191 -4.536 1.228 1.00 0.00 C ATOM 818 C LEU A 53 5.247 -5.308 2.547 1.00 0.00 C ATOM 819 O LEU A 53 4.238 -5.437 3.245 1.00 0.00 O ATOM 820 CB LEU A 53 5.540 -3.059 1.468 1.00 0.00 C ATOM 821 CG LEU A 53 5.524 -2.148 0.226 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.783 -0.703 0.630 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.551 -2.598 -0.809 1.00 0.00 C ATOM 0 H LEU A 53 3.309 -3.810 0.620 1.00 0.00 H new ATOM 0 HA LEU A 53 5.927 -4.976 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.839 -2.655 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.532 -3.010 1.917 1.00 0.00 H new ATOM 0 HG LEU A 53 4.536 -2.221 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.769 -0.069 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.008 -0.375 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.757 -0.629 1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.513 -1.933 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.548 -2.566 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.327 -3.617 -1.125 1.00 0.00 H new ATOM 835 N LYS A 54 6.442 -5.821 2.875 1.00 0.00 N ATOM 836 CA LYS A 54 6.658 -6.587 4.110 1.00 0.00 C ATOM 837 C LYS A 54 7.766 -5.967 4.960 1.00 0.00 C ATOM 838 O LYS A 54 8.505 -5.100 4.492 1.00 0.00 O ATOM 839 CB LYS A 54 7.029 -8.039 3.790 1.00 0.00 C ATOM 840 CG LYS A 54 5.918 -8.842 3.135 1.00 0.00 C ATOM 841 CD LYS A 54 6.331 -10.294 2.912 1.00 0.00 C ATOM 842 CE LYS A 54 6.479 -11.063 4.220 1.00 0.00 C ATOM 843 NZ LYS A 54 6.882 -12.478 3.991 1.00 0.00 N ATOM 0 H LYS A 54 7.277 -5.718 2.298 1.00 0.00 H new ATOM 0 HA LYS A 54 5.724 -6.564 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.899 -8.042 3.133 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.325 -8.537 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.026 -8.809 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.654 -8.387 2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.589 -10.788 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.276 -10.321 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.222 -10.571 4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.535 -11.038 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.972 -12.966 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.161 -12.955 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.795 -12.503 3.494 1.00 0.00 H new ATOM 857 N GLY A 55 7.879 -6.432 6.208 1.00 0.00 N ATOM 858 CA GLY A 55 8.904 -5.929 7.112 1.00 0.00 C ATOM 859 C GLY A 55 8.433 -4.744 7.930 1.00 0.00 C ATOM 860 O GLY A 55 7.498 -4.865 8.725 1.00 0.00 O ATOM 0 H GLY A 55 7.276 -7.151 6.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.214 -6.729 7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.782 -5.640 6.534 1.00 0.00 H new ATOM 864 N ARG A 56 9.085 -3.595 7.729 1.00 0.00 N ATOM 865 CA ARG A 56 8.740 -2.365 8.445 1.00 0.00 C ATOM 866 C ARG A 56 7.408 -1.808 7.953 1.00 0.00 C ATOM 867 O ARG A 56 6.658 -1.198 8.718 1.00 0.00 O ATOM 868 CB ARG A 56 9.840 -1.320 8.271 1.00 0.00 C ATOM 869 CG ARG A 56 11.177 -1.745 8.855 1.00 0.00 C ATOM 870 CD ARG A 56 12.212 -0.634 8.748 1.00 0.00 C ATOM 871 NE ARG A 56 12.523 -0.280 7.356 1.00 0.00 N ATOM 872 CZ ARG A 56 13.220 -1.050 6.508 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.729 -2.216 6.898 1.00 0.00 N ATOM 874 NH2 ARG A 56 13.416 -0.641 5.262 1.00 0.00 N ATOM 0 H ARG A 56 9.859 -3.492 7.072 1.00 0.00 H new ATOM 0 HA ARG A 56 8.645 -2.605 9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.966 -1.110 7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.525 -0.390 8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.046 -2.022 9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.538 -2.631 8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.845 0.250 9.270 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.127 -0.946 9.252 1.00 0.00 H new ATOM 0 HE ARG A 56 12.184 0.617 7.010 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.592 -2.537 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.256 -2.788 6.239 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.037 0.255 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.945 -1.222 4.612 1.00 0.00 H new ATOM 888 N GLY A 57 7.126 -2.035 6.669 1.00 0.00 N ATOM 889 CA GLY A 57 5.887 -1.569 6.073 1.00 0.00 C ATOM 890 C GLY A 57 4.959 -2.716 5.734 1.00 0.00 C ATOM 891 O GLY A 57 4.470 -2.814 4.607 1.00 0.00 O ATOM 0 H GLY A 57 7.741 -2.538 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.386 -0.888 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.109 -1.002 5.169 1.00 0.00 H new ATOM 895 N ARG A 58 4.730 -3.590 6.717 1.00 0.00 N ATOM 896 CA ARG A 58 3.863 -4.760 6.544 1.00 0.00 C ATOM 897 C ARG A 58 2.393 -4.369 6.378 1.00 0.00 C ATOM 898 O ARG A 58 1.588 -5.168 5.891 1.00 0.00 O ATOM 899 CB ARG A 58 4.026 -5.725 7.727 1.00 0.00 C ATOM 900 CG ARG A 58 3.755 -5.103 9.082 1.00 0.00 C ATOM 901 CD ARG A 58 3.977 -6.098 10.209 1.00 0.00 C ATOM 902 NE ARG A 58 3.027 -7.213 10.160 1.00 0.00 N ATOM 903 CZ ARG A 58 3.002 -8.221 11.037 1.00 0.00 C ATOM 904 NH1 ARG A 58 3.871 -8.274 12.043 1.00 0.00 N ATOM 905 NH2 ARG A 58 2.100 -9.183 10.905 1.00 0.00 N ATOM 0 H ARG A 58 5.136 -3.509 7.649 1.00 0.00 H new ATOM 0 HA ARG A 58 4.173 -5.260 5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.352 -6.570 7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.041 -6.122 7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.406 -4.241 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.729 -4.737 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.994 -6.487 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.884 -5.586 11.167 1.00 0.00 H new ATOM 0 HE ARG A 58 2.339 -7.220 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.569 -7.539 12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.839 -9.050 12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.430 -9.152 10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.076 -9.955 11.571 1.00 0.00 H new ATOM 919 N LEU A 59 2.049 -3.142 6.778 1.00 0.00 N ATOM 920 CA LEU A 59 0.677 -2.654 6.665 1.00 0.00 C ATOM 921 C LEU A 59 0.537 -1.670 5.498 1.00 0.00 C ATOM 922 O LEU A 59 -0.522 -1.066 5.307 1.00 0.00 O ATOM 923 CB LEU A 59 0.216 -2.021 7.992 1.00 0.00 C ATOM 924 CG LEU A 59 1.037 -0.825 8.491 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.307 0.481 8.213 1.00 0.00 C ATOM 926 CD2 LEU A 59 1.335 -0.966 9.976 1.00 0.00 C ATOM 0 H LEU A 59 2.702 -2.471 7.182 1.00 0.00 H new ATOM 0 HA LEU A 59 0.028 -3.504 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.820 -1.702 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.230 -2.792 8.763 1.00 0.00 H new ATOM 0 HG LEU A 59 1.983 -0.809 7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.906 1.317 8.575 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.147 0.587 7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.655 0.476 8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.918 -0.109 10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.399 -1.009 10.532 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.902 -1.881 10.148 1.00 0.00 H new ATOM 938 N PHE A 60 1.612 -1.527 4.714 1.00 0.00 N ATOM 939 CA PHE A 60 1.610 -0.632 3.559 1.00 0.00 C ATOM 940 C PHE A 60 1.503 -1.422 2.257 1.00 0.00 C ATOM 941 O PHE A 60 2.379 -2.230 1.925 1.00 0.00 O ATOM 942 CB PHE A 60 2.868 0.250 3.532 1.00 0.00 C ATOM 943 CG PHE A 60 2.877 1.355 4.559 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.301 1.121 5.859 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.475 2.638 4.213 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.320 2.140 6.791 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.493 3.661 5.142 1.00 0.00 C ATOM 948 CZ PHE A 60 2.915 3.411 6.432 1.00 0.00 C ATOM 0 H PHE A 60 2.492 -2.021 4.861 1.00 0.00 H new ATOM 0 HA PHE A 60 0.738 0.015 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.743 -0.381 3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.966 0.692 2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.620 0.130 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.144 2.839 3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.651 1.943 7.800 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.177 4.654 4.859 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.929 4.208 7.160 1.00 0.00 H new ATOM 958 N TRP A 61 0.420 -1.172 1.525 1.00 0.00 N ATOM 959 CA TRP A 61 0.170 -1.837 0.250 1.00 0.00 C ATOM 960 C TRP A 61 0.340 -0.850 -0.900 1.00 0.00 C ATOM 961 O TRP A 61 0.648 0.321 -0.673 1.00 0.00 O ATOM 962 CB TRP A 61 -1.242 -2.452 0.241 1.00 0.00 C ATOM 963 CG TRP A 61 -1.381 -3.749 1.016 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.416 -4.408 1.737 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.576 -4.533 1.158 1.00 0.00 C ATOM 966 NE1 TRP A 61 -0.932 -5.550 2.292 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.256 -5.646 1.961 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.886 -4.404 0.683 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.194 -6.619 2.297 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.815 -5.371 1.021 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.465 -6.464 1.821 1.00 0.00 C ATOM 0 H TRP A 61 -0.304 -0.507 1.797 1.00 0.00 H new ATOM 0 HA TRP A 61 0.895 -2.641 0.120 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.942 -1.724 0.652 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.538 -2.630 -0.793 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.605 -4.074 1.851 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.413 -6.220 2.860 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.166 -3.565 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.926 -7.466 2.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.829 -5.281 0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.215 -7.201 2.067 1.00 0.00 H new ATOM 982 N GLY A 62 0.147 -1.329 -2.127 1.00 0.00 N ATOM 983 CA GLY A 62 0.291 -0.476 -3.295 1.00 0.00 C ATOM 984 C GLY A 62 -0.415 -1.039 -4.508 1.00 0.00 C ATOM 985 O GLY A 62 -0.648 -2.244 -4.588 1.00 0.00 O ATOM 0 H GLY A 62 -0.107 -2.295 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.109 0.513 -3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.350 -0.348 -3.520 1.00 0.00 H new ATOM 989 N GLY A 63 -0.755 -0.158 -5.449 1.00 0.00 N ATOM 990 CA GLY A 63 -1.439 -0.574 -6.661 1.00 0.00 C ATOM 991 C GLY A 63 -1.946 0.603 -7.470 1.00 0.00 C ATOM 992 O GLY A 63 -1.323 1.668 -7.480 1.00 0.00 O ATOM 0 H GLY A 63 -0.566 0.843 -5.391 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.760 -1.167 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.277 -1.219 -6.399 1.00 0.00 H new ATOM 996 N SER A 64 -3.077 0.408 -8.148 1.00 0.00 N ATOM 997 CA SER A 64 -3.682 1.456 -8.966 1.00 0.00 C ATOM 998 C SER A 64 -5.191 1.499 -8.749 1.00 0.00 C ATOM 999 O SER A 64 -5.868 0.471 -8.837 1.00 0.00 O ATOM 1000 CB SER A 64 -3.363 1.230 -10.449 1.00 0.00 C ATOM 1001 OG SER A 64 -3.908 0.006 -10.913 1.00 0.00 O ATOM 0 H SER A 64 -3.594 -0.471 -8.146 1.00 0.00 H new ATOM 0 HA SER A 64 -3.261 2.415 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.762 2.055 -11.039 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.283 1.228 -10.594 1.00 0.00 H new ATOM 0 HG SER A 64 -3.382 -0.741 -10.560 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.708 2.692 -8.452 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.139 2.873 -8.209 1.00 0.00 C ATOM 1009 C VAL A 65 -7.904 3.152 -9.505 1.00 0.00 C ATOM 1010 O VAL A 65 -7.579 4.078 -10.253 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.413 4.005 -7.164 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -6.705 5.303 -7.545 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -8.914 4.246 -6.986 1.00 0.00 C ATOM 0 H VAL A 65 -5.157 3.547 -8.374 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.504 1.933 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.006 3.667 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.918 6.067 -6.797 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.630 5.131 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.061 5.640 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.071 5.038 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.351 4.542 -7.940 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.391 3.330 -6.637 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.941 2.350 -9.742 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.788 2.513 -10.914 1.00 0.00 C ATOM 1025 C GLN A 66 -10.817 3.606 -10.626 1.00 0.00 C ATOM 1026 O GLN A 66 -10.747 4.696 -11.196 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.474 1.184 -11.273 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.420 1.271 -12.464 1.00 0.00 C ATOM 1029 CD GLN A 66 -11.997 -0.076 -12.856 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -11.267 -0.991 -13.237 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -13.315 -0.204 -12.763 1.00 0.00 N ATOM 0 H GLN A 66 -9.213 1.579 -9.133 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.182 2.807 -11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.708 0.438 -11.486 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.031 0.830 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.235 1.955 -12.226 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.887 1.695 -13.315 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.882 0.581 -12.442 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.760 -1.087 -13.012 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.751 3.303 -9.713 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.778 4.253 -9.320 1.00 0.00 C ATOM 1042 C GLY A 67 -13.871 4.411 -10.355 1.00 0.00 C ATOM 1043 O GLY A 67 -14.985 3.914 -10.174 1.00 0.00 O ATOM 0 H GLY A 67 -11.808 2.403 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.222 3.930 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.316 5.223 -9.138 1.00 0.00 H new ATOM 1047 N ASP A 68 -13.546 5.115 -11.432 1.00 0.00 N ATOM 1048 CA ASP A 68 -14.491 5.368 -12.512 1.00 0.00 C ATOM 1049 C ASP A 68 -13.825 5.162 -13.868 1.00 0.00 C ATOM 1050 O ASP A 68 -14.470 4.727 -14.826 1.00 0.00 O ATOM 1051 CB ASP A 68 -15.027 6.799 -12.391 1.00 0.00 C ATOM 1052 CG ASP A 68 -16.259 7.069 -13.248 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -16.790 6.120 -13.866 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -16.702 8.236 -13.288 1.00 0.00 O ATOM 0 H ASP A 68 -12.624 5.525 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.320 4.664 -12.434 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.271 6.999 -11.348 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.239 7.497 -12.674 1.00 0.00 H new ATOM 1059 N TYR A 69 -12.526 5.481 -13.917 1.00 0.00 N ATOM 1060 CA TYR A 69 -11.696 5.356 -15.128 1.00 0.00 C ATOM 1061 C TYR A 69 -12.298 6.150 -16.298 1.00 0.00 C ATOM 1062 O TYR A 69 -13.069 5.616 -17.102 1.00 0.00 O ATOM 1063 CB TYR A 69 -11.498 3.871 -15.506 1.00 0.00 C ATOM 1064 CG TYR A 69 -10.491 3.624 -16.619 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -9.154 3.992 -16.482 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -10.882 3.020 -17.808 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -8.243 3.766 -17.495 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -9.975 2.790 -18.825 1.00 0.00 C ATOM 1069 CZ TYR A 69 -8.658 3.164 -18.664 1.00 0.00 C ATOM 1070 OH TYR A 69 -7.753 2.936 -19.675 1.00 0.00 O ATOM 0 H TYR A 69 -12.013 5.837 -13.110 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.717 5.782 -14.910 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -11.179 3.324 -14.619 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -12.460 3.456 -15.807 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.824 4.462 -15.567 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.913 2.725 -17.940 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.211 4.059 -17.372 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.297 2.319 -19.742 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.206 2.504 -20.429 1.00 0.00 H new ATOM 1080 N TYR A 70 -11.936 7.432 -16.375 1.00 0.00 N ATOM 1081 CA TYR A 70 -12.429 8.317 -17.431 1.00 0.00 C ATOM 1082 C TYR A 70 -11.292 8.814 -18.324 1.00 0.00 C ATOM 1083 O TYR A 70 -11.533 9.444 -19.357 1.00 0.00 O ATOM 1084 CB TYR A 70 -13.214 9.500 -16.826 1.00 0.00 C ATOM 1085 CG TYR A 70 -12.525 10.220 -15.672 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -11.463 11.096 -15.888 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -12.955 10.030 -14.363 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -10.852 11.752 -14.837 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -12.350 10.685 -13.308 1.00 0.00 C ATOM 1090 CZ TYR A 70 -11.299 11.543 -13.549 1.00 0.00 C ATOM 1091 OH TYR A 70 -10.694 12.196 -12.501 1.00 0.00 O ATOM 0 H TYR A 70 -11.301 7.881 -15.716 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.107 7.740 -18.059 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -13.413 10.224 -17.616 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.180 9.133 -16.478 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.111 11.265 -16.895 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.777 9.358 -14.168 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.028 12.425 -15.023 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.699 10.525 -12.299 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.129 11.940 -11.661 1.00 0.00 H new ATOM 1101 N GLY A 71 -10.055 8.524 -17.916 1.00 0.00 N ATOM 1102 CA GLY A 71 -8.891 8.941 -18.680 1.00 0.00 C ATOM 1103 C GLY A 71 -7.712 8.008 -18.494 1.00 0.00 C ATOM 1104 O GLY A 71 -7.738 6.867 -18.958 1.00 0.00 O ATOM 0 H GLY A 71 -9.840 8.005 -17.065 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.151 8.986 -19.737 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.604 9.949 -18.379 1.00 0.00 H new ATOM 1108 N ASP A 72 -6.676 8.499 -17.810 1.00 0.00 N ATOM 1109 CA ASP A 72 -5.472 7.712 -17.553 1.00 0.00 C ATOM 1110 C ASP A 72 -4.904 8.032 -16.170 1.00 0.00 C ATOM 1111 O ASP A 72 -4.391 9.130 -15.939 1.00 0.00 O ATOM 1112 CB ASP A 72 -4.421 7.979 -18.636 1.00 0.00 C ATOM 1113 CG ASP A 72 -3.174 7.130 -18.469 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -3.288 5.887 -18.521 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -2.082 7.710 -18.287 1.00 0.00 O ATOM 0 H ASP A 72 -6.649 9.443 -17.423 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.739 6.656 -17.578 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.858 7.785 -19.615 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.143 9.033 -18.614 1.00 0.00 H new ATOM 1120 N LEU A 73 -5.004 7.063 -15.257 1.00 0.00 N ATOM 1121 CA LEU A 73 -4.505 7.231 -13.891 1.00 0.00 C ATOM 1122 C LEU A 73 -3.897 5.931 -13.363 1.00 0.00 C ATOM 1123 O LEU A 73 -3.167 5.941 -12.367 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.623 7.729 -12.947 1.00 0.00 C ATOM 1125 CG LEU A 73 -6.728 6.717 -12.576 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -7.540 7.240 -11.400 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -7.649 6.434 -13.758 1.00 0.00 C ATOM 0 H LEU A 73 -5.427 6.153 -15.440 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.721 7.987 -13.918 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.158 8.076 -12.024 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.097 8.594 -13.410 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.243 5.781 -12.297 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.317 6.519 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.885 7.385 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.001 8.190 -11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.414 5.717 -13.460 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.125 7.361 -14.079 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.067 6.021 -14.582 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.201 4.816 -14.036 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.685 3.507 -13.638 1.00 0.00 C ATOM 1141 C ALA A 74 -2.308 3.236 -14.245 1.00 0.00 C ATOM 1142 O ALA A 74 -1.698 2.199 -13.970 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.662 2.409 -14.032 1.00 0.00 C ATOM 0 H ALA A 74 -4.803 4.797 -14.859 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.575 3.511 -12.554 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.263 1.441 -13.729 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.618 2.578 -13.537 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.805 2.420 -15.112 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.822 4.178 -15.062 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.513 4.052 -15.703 1.00 0.00 C ATOM 1151 C ALA A 75 0.604 4.140 -14.668 1.00 0.00 C ATOM 1152 O ALA A 75 1.622 3.451 -14.777 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.336 5.125 -16.765 1.00 0.00 C ATOM 0 H ALA A 75 -2.320 5.038 -15.294 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.460 3.075 -16.184 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.643 5.017 -17.232 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.113 5.019 -17.522 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.411 6.110 -16.303 1.00 0.00 H new ATOM 1159 N ARG A 76 0.391 4.983 -13.658 1.00 0.00 N ATOM 1160 CA ARG A 76 1.358 5.166 -12.581 1.00 0.00 C ATOM 1161 C ARG A 76 0.950 4.345 -11.359 1.00 0.00 C ATOM 1162 O ARG A 76 -0.242 4.158 -11.097 1.00 0.00 O ATOM 1163 CB ARG A 76 1.492 6.653 -12.216 1.00 0.00 C ATOM 1164 CG ARG A 76 0.177 7.328 -11.836 1.00 0.00 C ATOM 1165 CD ARG A 76 0.358 8.803 -11.483 1.00 0.00 C ATOM 1166 NE ARG A 76 0.707 9.631 -12.646 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.956 9.945 -13.017 1.00 0.00 C ATOM 1168 NH1 ARG A 76 3.004 9.551 -12.298 1.00 0.00 N ATOM 1169 NH2 ARG A 76 2.153 10.672 -14.108 1.00 0.00 N ATOM 0 H ARG A 76 -0.450 5.553 -13.565 1.00 0.00 H new ATOM 0 HA ARG A 76 2.330 4.815 -12.926 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.190 6.749 -11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.929 7.185 -13.062 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.526 7.239 -12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.264 6.806 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.563 9.180 -11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.139 8.898 -10.729 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.059 9.994 -13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.863 9.001 -11.450 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.948 9.799 -12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.356 10.989 -14.660 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.101 10.914 -14.395 1.00 0.00 H new ATOM 1183 N LEU A 77 1.943 3.850 -10.625 1.00 0.00 N ATOM 1184 CA LEU A 77 1.692 3.040 -9.436 1.00 0.00 C ATOM 1185 C LEU A 77 1.984 3.813 -8.158 1.00 0.00 C ATOM 1186 O LEU A 77 3.066 4.383 -7.995 1.00 0.00 O ATOM 1187 CB LEU A 77 2.521 1.752 -9.487 1.00 0.00 C ATOM 1188 CG LEU A 77 1.942 0.647 -10.379 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.993 -0.405 -10.685 1.00 0.00 C ATOM 1190 CD2 LEU A 77 0.738 0.001 -9.708 1.00 0.00 C ATOM 0 H LEU A 77 2.931 3.996 -10.833 1.00 0.00 H new ATOM 0 HA LEU A 77 0.633 2.780 -9.427 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.523 1.996 -9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.625 1.364 -8.474 1.00 0.00 H new ATOM 0 HG LEU A 77 1.623 1.101 -11.317 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.560 -1.179 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.833 0.059 -11.202 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.342 -0.852 -9.754 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.338 -0.781 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.042 -0.434 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.029 0.755 -9.534 1.00 0.00 H new ATOM 1202 N GLY A 78 1.002 3.818 -7.255 1.00 0.00 N ATOM 1203 CA GLY A 78 1.143 4.512 -5.987 1.00 0.00 C ATOM 1204 C GLY A 78 1.018 3.574 -4.804 1.00 0.00 C ATOM 1205 O GLY A 78 0.946 2.357 -4.982 1.00 0.00 O ATOM 0 H GLY A 78 0.105 3.349 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.112 5.010 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.383 5.290 -5.914 1.00 0.00 H new ATOM 1209 N TYR A 79 1.007 4.141 -3.595 1.00 0.00 N ATOM 1210 CA TYR A 79 0.908 3.350 -2.366 1.00 0.00 C ATOM 1211 C TYR A 79 -0.196 3.889 -1.453 1.00 0.00 C ATOM 1212 O TYR A 79 -0.480 5.092 -1.450 1.00 0.00 O ATOM 1213 CB TYR A 79 2.271 3.320 -1.647 1.00 0.00 C ATOM 1214 CG TYR A 79 3.335 2.543 -2.409 1.00 0.00 C ATOM 1215 CD1 TYR A 79 4.114 3.163 -3.380 1.00 0.00 C ATOM 1216 CD2 TYR A 79 3.547 1.190 -2.170 1.00 0.00 C ATOM 1217 CE1 TYR A 79 5.071 2.464 -4.084 1.00 0.00 C ATOM 1218 CE2 TYR A 79 4.505 0.483 -2.872 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.264 1.124 -3.828 1.00 0.00 C ATOM 1220 OH TYR A 79 6.218 0.423 -4.528 1.00 0.00 O ATOM 0 H TYR A 79 1.066 5.148 -3.441 1.00 0.00 H new ATOM 0 HA TYR A 79 0.638 2.327 -2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.617 4.343 -1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.144 2.876 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.966 4.213 -3.587 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.953 0.683 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.667 2.964 -4.833 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.658 -0.567 -2.672 1.00 0.00 H new ATOM 0 HH TYR A 79 6.227 -0.509 -4.225 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.834 2.977 -0.708 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.938 3.327 0.193 1.00 0.00 C ATOM 1232 C PHE A 80 -1.954 2.425 1.447 1.00 0.00 C ATOM 1233 O PHE A 80 -1.427 1.309 1.403 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.280 3.218 -0.570 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.514 1.890 -1.263 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.034 0.801 -0.572 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.208 1.735 -2.606 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.239 -0.408 -1.207 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.412 0.527 -3.245 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.927 -0.545 -2.544 1.00 0.00 C ATOM 0 H PHE A 80 -0.601 1.984 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.794 4.353 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.095 3.394 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.323 4.013 -1.315 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.281 0.902 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.805 2.570 -3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.643 -1.245 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.169 0.422 -4.292 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.086 -1.490 -3.042 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.561 2.881 2.587 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.630 2.084 3.821 1.00 0.00 C ATOM 1252 C PRO A 81 -3.709 1.001 3.747 1.00 0.00 C ATOM 1253 O PRO A 81 -4.873 1.289 3.446 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.982 3.116 4.911 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.958 4.450 4.236 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.222 4.183 2.785 1.00 0.00 C ATOM 0 HA PRO A 81 -1.697 1.554 4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.964 2.913 5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.263 3.080 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.715 5.113 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.994 4.940 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.289 4.136 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.799 4.957 2.144 1.00 0.00 H new ATOM 1264 N SER A 82 -3.311 -0.245 4.023 1.00 0.00 N ATOM 1265 CA SER A 82 -4.227 -1.391 3.987 1.00 0.00 C ATOM 1266 C SER A 82 -5.341 -1.273 5.031 1.00 0.00 C ATOM 1267 O SER A 82 -6.367 -1.949 4.931 1.00 0.00 O ATOM 1268 CB SER A 82 -3.450 -2.689 4.217 1.00 0.00 C ATOM 1269 OG SER A 82 -2.875 -2.720 5.512 1.00 0.00 O ATOM 0 H SER A 82 -2.353 -0.487 4.276 1.00 0.00 H new ATOM 0 HA SER A 82 -4.692 -1.402 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.117 -3.542 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.666 -2.784 3.466 1.00 0.00 H new ATOM 0 HG SER A 82 -2.060 -2.175 5.521 1.00 0.00 H new ATOM 1275 N SER A 83 -5.119 -0.417 6.033 1.00 0.00 N ATOM 1276 CA SER A 83 -6.079 -0.203 7.115 1.00 0.00 C ATOM 1277 C SER A 83 -7.414 0.371 6.627 1.00 0.00 C ATOM 1278 O SER A 83 -8.406 0.313 7.359 1.00 0.00 O ATOM 1279 CB SER A 83 -5.475 0.727 8.169 1.00 0.00 C ATOM 1280 OG SER A 83 -4.294 0.174 8.722 1.00 0.00 O ATOM 0 H SER A 83 -4.271 0.144 6.115 1.00 0.00 H new ATOM 0 HA SER A 83 -6.290 -1.181 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.251 1.694 7.719 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.202 0.905 8.961 1.00 0.00 H new ATOM 0 HG SER A 83 -3.927 0.789 9.391 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.449 0.928 5.408 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.693 1.504 4.887 1.00 0.00 C ATOM 1288 C ILE A 84 -9.329 0.653 3.785 1.00 0.00 C ATOM 1289 O ILE A 84 -10.441 0.953 3.344 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.509 2.948 4.367 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.598 3.001 3.140 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.959 3.842 5.470 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -7.783 4.265 2.337 1.00 0.00 C ATOM 0 H ILE A 84 -6.649 0.991 4.778 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.367 1.522 5.743 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.490 3.314 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.559 2.926 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.799 2.138 2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.835 4.856 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.654 3.853 6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.994 3.458 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.113 4.251 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.815 4.329 1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.555 5.129 2.961 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.637 -0.398 3.335 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.182 -1.254 2.276 1.00 0.00 C ATOM 1307 C VAL A 85 -9.663 -2.593 2.823 1.00 0.00 C ATOM 1308 O VAL A 85 -9.282 -3.003 3.923 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.166 -1.497 1.129 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.710 -0.177 0.525 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.968 -2.316 1.601 1.00 0.00 C ATOM 0 H VAL A 85 -7.717 -0.673 3.679 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.035 -0.713 1.866 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.675 -2.074 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.998 -0.371 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.572 0.357 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.233 0.430 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.279 -2.465 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.458 -1.785 2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.310 -3.284 1.967 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.507 -3.263 2.039 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.054 -4.556 2.423 1.00 0.00 C ATOM 1323 C ARG A 86 -11.124 -5.494 1.218 1.00 0.00 C ATOM 1324 O ARG A 86 -11.942 -5.300 0.312 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.438 -4.373 3.045 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.989 -5.636 3.685 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.949 -5.301 4.811 1.00 0.00 C ATOM 1328 NE ARG A 86 -14.497 -6.497 5.462 1.00 0.00 N ATOM 1329 CZ ARG A 86 -15.400 -7.321 4.913 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.912 -7.076 3.709 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.803 -8.393 5.584 1.00 0.00 N ATOM 0 H ARG A 86 -10.826 -2.926 1.130 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.394 -5.008 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.388 -3.586 3.798 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.131 -4.034 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.501 -6.236 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.168 -6.241 4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.433 -4.692 5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.768 -4.699 4.418 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.166 -6.717 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.618 -6.250 3.188 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.598 -7.715 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.426 -8.586 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.490 -9.024 5.172 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.258 -6.512 1.222 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.208 -7.498 0.144 1.00 0.00 C ATOM 1347 C GLU A 87 -11.415 -8.426 0.212 1.00 0.00 C ATOM 1348 O GLU A 87 -11.767 -8.918 1.287 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.915 -8.311 0.221 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.726 -7.640 -0.455 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.456 -8.476 -0.397 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -6.469 -9.556 0.234 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.441 -8.046 -0.985 1.00 0.00 O ATOM 0 H GLU A 87 -9.579 -6.673 1.966 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.230 -6.966 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.672 -8.491 1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.081 -9.285 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.974 -7.439 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.542 -6.677 0.020 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.052 -8.648 -0.939 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.233 -9.504 -1.007 1.00 0.00 C ATOM 1362 C ASP A 88 -13.092 -10.592 -2.068 1.00 0.00 C ATOM 1363 O ASP A 88 -13.614 -11.696 -1.893 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.480 -8.663 -1.299 1.00 0.00 C ATOM 1365 CG ASP A 88 -14.762 -7.640 -0.215 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -14.989 -8.048 0.945 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -14.756 -6.429 -0.524 1.00 0.00 O ATOM 0 H ASP A 88 -11.769 -8.247 -1.833 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.334 -9.992 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.353 -8.150 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.342 -9.322 -1.404 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.411 -10.278 -3.176 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.248 -11.253 -4.263 1.00 0.00 C ATOM 1374 C GLN A 89 -10.849 -11.189 -4.890 1.00 0.00 C ATOM 1375 O GLN A 89 -10.417 -10.135 -5.353 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.339 -11.012 -5.320 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.462 -12.105 -6.375 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.830 -11.720 -7.698 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.914 -12.549 -8.178 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.175 -10.696 -8.290 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.971 -9.373 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.354 -12.256 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.298 -10.906 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.137 -10.065 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.991 -13.016 -6.004 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.516 -12.333 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.884 -10.086 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.751 -10.458 -9.187 1.00 0.00 H new ATOM 1389 N THR A 90 -10.159 -12.341 -4.905 1.00 0.00 N ATOM 1390 CA THR A 90 -8.811 -12.446 -5.480 1.00 0.00 C ATOM 1391 C THR A 90 -8.897 -12.778 -6.970 1.00 0.00 C ATOM 1392 O THR A 90 -9.548 -13.750 -7.360 1.00 0.00 O ATOM 1393 CB THR A 90 -7.999 -13.522 -4.739 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.957 -13.248 -3.351 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.563 -13.662 -5.219 1.00 0.00 C ATOM 0 H THR A 90 -10.516 -13.217 -4.523 1.00 0.00 H new ATOM 0 HA THR A 90 -8.305 -11.487 -5.365 1.00 0.00 H new ATOM 0 HB THR A 90 -8.519 -14.456 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.524 -12.382 -3.202 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.062 -14.441 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.557 -13.929 -6.276 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.039 -12.716 -5.081 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.239 -11.959 -7.790 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.240 -12.141 -9.243 1.00 0.00 C ATOM 1405 C LEU A 91 -7.120 -13.084 -9.673 1.00 0.00 C ATOM 1406 O LEU A 91 -7.316 -13.947 -10.531 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.041 -10.787 -9.943 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.888 -9.621 -9.411 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.356 -8.300 -9.939 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.355 -9.788 -9.779 1.00 0.00 C ATOM 0 H LEU A 91 -7.695 -11.158 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.200 -12.571 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.989 -10.511 -9.864 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.259 -10.914 -11.003 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.815 -9.622 -8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.966 -7.482 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.324 -8.167 -9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.396 -8.301 -11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.926 -8.946 -9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.456 -9.822 -10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.735 -10.715 -9.350 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.948 -12.896 -9.071 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.771 -13.706 -9.375 1.00 0.00 C ATOM 1424 C LYS A 92 -3.944 -13.922 -8.093 1.00 0.00 C ATOM 1425 O LYS A 92 -3.723 -12.971 -7.349 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.946 -13.000 -10.464 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.923 -13.892 -11.160 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.016 -13.776 -12.681 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.196 -14.558 -13.245 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.286 -14.437 -14.726 1.00 0.00 N ATOM 0 H LYS A 92 -5.788 -12.181 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.071 -14.686 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.627 -12.596 -11.213 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.426 -12.153 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.920 -13.618 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.082 -14.929 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.111 -12.726 -12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.092 -14.142 -13.129 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.099 -15.609 -12.972 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.120 -14.196 -12.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.101 -14.983 -15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.404 -13.437 -14.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.415 -14.806 -15.158 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.493 -15.176 -7.790 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.717 -15.470 -6.568 1.00 0.00 C ATOM 1446 C PRO A 93 -1.390 -14.718 -6.485 1.00 0.00 C ATOM 1447 O PRO A 93 -0.601 -14.721 -7.434 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.455 -16.976 -6.670 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.527 -17.484 -7.558 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.709 -16.410 -8.577 1.00 0.00 C ATOM 0 HA PRO A 93 -3.263 -15.160 -5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.468 -17.179 -7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.493 -17.452 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.243 -18.428 -8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.448 -17.666 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.992 -16.500 -9.393 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.704 -16.438 -9.022 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.153 -14.095 -5.328 1.00 0.00 N ATOM 1459 CA GLY A 94 0.079 -13.358 -5.100 1.00 0.00 C ATOM 1460 C GLY A 94 1.000 -14.104 -4.159 1.00 0.00 C ATOM 1461 O GLY A 94 0.875 -13.988 -2.937 1.00 0.00 O ATOM 0 H GLY A 94 -1.800 -14.090 -4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.586 -13.189 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.153 -12.378 -4.684 1.00 0.00 H new ATOM 1465 N LYS A 95 1.907 -14.892 -4.733 1.00 0.00 N ATOM 1466 CA LYS A 95 2.843 -15.695 -3.945 1.00 0.00 C ATOM 1467 C LYS A 95 4.270 -15.662 -4.513 1.00 0.00 C ATOM 1468 O LYS A 95 4.999 -16.657 -4.451 1.00 0.00 O ATOM 1469 CB LYS A 95 2.327 -17.140 -3.825 1.00 0.00 C ATOM 1470 CG LYS A 95 1.524 -17.615 -5.036 1.00 0.00 C ATOM 1471 CD LYS A 95 1.005 -19.046 -4.877 1.00 0.00 C ATOM 1472 CE LYS A 95 0.047 -19.204 -3.694 1.00 0.00 C ATOM 1473 NZ LYS A 95 -1.177 -18.371 -3.845 1.00 0.00 N ATOM 0 H LYS A 95 2.015 -14.992 -5.742 1.00 0.00 H new ATOM 0 HA LYS A 95 2.898 -15.253 -2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.176 -17.808 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.704 -17.220 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.681 -16.943 -5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.149 -17.557 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.496 -19.346 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.851 -19.721 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.238 -20.252 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.561 -18.928 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.575 -18.166 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.933 -17.478 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.879 -18.885 -4.414 1.00 0.00 H new ATOM 1487 N VAL A 96 4.669 -14.500 -5.045 1.00 0.00 N ATOM 1488 CA VAL A 96 6.016 -14.317 -5.603 1.00 0.00 C ATOM 1489 C VAL A 96 6.676 -13.075 -4.993 1.00 0.00 C ATOM 1490 O VAL A 96 6.223 -11.951 -5.214 1.00 0.00 O ATOM 1491 CB VAL A 96 5.993 -14.195 -7.154 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.396 -13.983 -7.717 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.361 -15.431 -7.782 1.00 0.00 C ATOM 0 H VAL A 96 4.078 -13.671 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 96 6.597 -15.203 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 96 5.390 -13.322 -7.405 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.344 -13.902 -8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.819 -13.067 -7.305 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.028 -14.829 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.355 -15.325 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.938 -16.314 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.338 -15.539 -7.422 1.00 0.00 H new ATOM 1503 N ASP A 97 7.741 -13.295 -4.218 1.00 0.00 N ATOM 1504 CA ASP A 97 8.467 -12.206 -3.559 1.00 0.00 C ATOM 1505 C ASP A 97 9.447 -11.528 -4.518 1.00 0.00 C ATOM 1506 O ASP A 97 10.332 -12.178 -5.081 1.00 0.00 O ATOM 1507 CB ASP A 97 9.212 -12.743 -2.331 1.00 0.00 C ATOM 1508 CG ASP A 97 9.949 -11.659 -1.568 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.288 -10.718 -1.078 1.00 0.00 O ATOM 1510 OD2 ASP A 97 11.190 -11.752 -1.459 1.00 0.00 O ATOM 0 H ASP A 97 8.121 -14.223 -4.031 1.00 0.00 H new ATOM 0 HA ASP A 97 7.741 -11.458 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.500 -13.230 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.924 -13.505 -2.648 1.00 0.00 H new ATOM 1515 N VAL A 98 9.277 -10.213 -4.687 1.00 0.00 N ATOM 1516 CA VAL A 98 10.137 -9.414 -5.568 1.00 0.00 C ATOM 1517 C VAL A 98 10.720 -8.229 -4.793 1.00 0.00 C ATOM 1518 O VAL A 98 10.014 -7.592 -4.019 1.00 0.00 O ATOM 1519 CB VAL A 98 9.355 -8.880 -6.802 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.294 -8.205 -7.797 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.575 -9.995 -7.485 1.00 0.00 C ATOM 0 H VAL A 98 8.546 -9.675 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 98 10.938 -10.062 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 98 8.644 -8.137 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.720 -7.841 -8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.796 -7.367 -7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.038 -8.924 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.039 -9.591 -8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.265 -10.769 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.862 -10.424 -6.781 1.00 0.00 H new ATOM 1531 N LYS A 99 12.004 -7.936 -5.011 1.00 0.00 N ATOM 1532 CA LYS A 99 12.665 -6.817 -4.331 1.00 0.00 C ATOM 1533 C LYS A 99 12.309 -5.499 -5.023 1.00 0.00 C ATOM 1534 O LYS A 99 11.996 -5.490 -6.216 1.00 0.00 O ATOM 1535 CB LYS A 99 14.193 -6.992 -4.319 1.00 0.00 C ATOM 1536 CG LYS A 99 14.697 -8.201 -3.534 1.00 0.00 C ATOM 1537 CD LYS A 99 14.647 -9.489 -4.349 1.00 0.00 C ATOM 1538 CE LYS A 99 15.172 -10.677 -3.556 1.00 0.00 C ATOM 1539 NZ LYS A 99 16.603 -10.508 -3.178 1.00 0.00 N ATOM 0 H LYS A 99 12.606 -8.455 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 99 12.313 -6.799 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.542 -7.074 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.644 -6.092 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.722 -8.019 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.096 -8.321 -2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.620 -9.684 -4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.237 -9.368 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.572 -10.805 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.058 -11.586 -4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 16.982 -11.415 -2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.146 -10.194 -4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.681 -9.796 -2.424 1.00 0.00 H new ATOM 1553 N THR A 100 12.359 -4.391 -4.275 1.00 0.00 N ATOM 1554 CA THR A 100 12.040 -3.074 -4.839 1.00 0.00 C ATOM 1555 C THR A 100 13.311 -2.312 -5.204 1.00 0.00 C ATOM 1556 O THR A 100 14.270 -2.275 -4.429 1.00 0.00 O ATOM 1557 CB THR A 100 11.198 -2.240 -3.861 1.00 0.00 C ATOM 1558 OG1 THR A 100 11.945 -1.911 -2.705 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.936 -2.937 -3.403 1.00 0.00 C ATOM 0 H THR A 100 12.615 -4.379 -3.288 1.00 0.00 H new ATOM 0 HA THR A 100 11.458 -3.242 -5.745 1.00 0.00 H new ATOM 0 HB THR A 100 10.918 -1.347 -4.420 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.101 -2.720 -2.175 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.392 -2.290 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.308 -3.158 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.197 -3.867 -2.897 1.00 0.00 H new ATOM 1567 N ASP A 101 13.301 -1.700 -6.389 1.00 0.00 N ATOM 1568 CA ASP A 101 14.438 -0.922 -6.876 1.00 0.00 C ATOM 1569 C ASP A 101 14.354 0.520 -6.374 1.00 0.00 C ATOM 1570 O ASP A 101 13.472 0.853 -5.578 1.00 0.00 O ATOM 1571 CB ASP A 101 14.484 -0.950 -8.409 1.00 0.00 C ATOM 1572 CG ASP A 101 14.724 -2.343 -8.966 1.00 0.00 C ATOM 1573 OD1 ASP A 101 13.866 -3.228 -8.756 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.772 -2.550 -9.613 1.00 0.00 O ATOM 0 H ASP A 101 12.511 -1.730 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 101 15.354 -1.370 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.544 -0.563 -8.803 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.274 -0.284 -8.756 1.00 0.00 H new ATOM 1579 N LYS A 102 15.275 1.372 -6.837 1.00 0.00 N ATOM 1580 CA LYS A 102 15.302 2.776 -6.428 1.00 0.00 C ATOM 1581 C LYS A 102 14.358 3.634 -7.279 1.00 0.00 C ATOM 1582 O LYS A 102 14.236 4.839 -7.051 1.00 0.00 O ATOM 1583 CB LYS A 102 16.734 3.334 -6.497 1.00 0.00 C ATOM 1584 CG LYS A 102 17.351 3.303 -7.894 1.00 0.00 C ATOM 1585 CD LYS A 102 18.734 3.954 -7.942 1.00 0.00 C ATOM 1586 CE LYS A 102 18.668 5.483 -7.960 1.00 0.00 C ATOM 1587 NZ LYS A 102 18.286 6.055 -6.637 1.00 0.00 N ATOM 0 H LYS A 102 16.010 1.112 -7.495 1.00 0.00 H new ATOM 0 HA LYS A 102 14.954 2.820 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.729 4.363 -6.137 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.368 2.762 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.429 2.269 -8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.688 3.816 -8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.314 3.630 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.264 3.607 -8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 102 19.638 5.882 -8.258 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.947 5.803 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.761 6.970 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.256 6.192 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.574 5.402 -5.880 1.00 0.00 H new ATOM 1601 N TRP A 103 13.695 3.009 -8.258 1.00 0.00 N ATOM 1602 CA TRP A 103 12.766 3.721 -9.139 1.00 0.00 C ATOM 1603 C TRP A 103 11.314 3.445 -8.740 1.00 0.00 C ATOM 1604 O TRP A 103 10.393 3.607 -9.548 1.00 0.00 O ATOM 1605 CB TRP A 103 12.996 3.324 -10.606 1.00 0.00 C ATOM 1606 CG TRP A 103 14.401 3.555 -11.089 1.00 0.00 C ATOM 1607 CD1 TRP A 103 15.439 2.669 -11.044 1.00 0.00 C ATOM 1608 CD2 TRP A 103 14.923 4.754 -11.678 1.00 0.00 C ATOM 1609 NE1 TRP A 103 16.572 3.239 -11.574 1.00 0.00 N ATOM 1610 CE2 TRP A 103 16.280 4.519 -11.969 1.00 0.00 C ATOM 1611 CE3 TRP A 103 14.375 6.002 -11.991 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 17.096 5.484 -12.553 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 15.185 6.960 -12.571 1.00 0.00 C ATOM 1614 CH2 TRP A 103 16.533 6.696 -12.848 1.00 0.00 C ATOM 0 H TRP A 103 13.785 2.013 -8.459 1.00 0.00 H new ATOM 0 HA TRP A 103 12.956 4.789 -9.032 1.00 0.00 H new ATOM 0 HB2 TRP A 103 12.749 2.270 -10.729 1.00 0.00 H new ATOM 0 HB3 TRP A 103 12.309 3.888 -11.236 1.00 0.00 H new ATOM 0 HD1 TRP A 103 15.379 1.666 -10.649 1.00 0.00 H new ATOM 0 HE1 TRP A 103 17.481 2.784 -11.659 1.00 0.00 H new ATOM 0 HE3 TRP A 103 13.337 6.214 -11.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 18.136 5.283 -12.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 14.772 7.928 -12.815 1.00 0.00 H new ATOM 0 HH2 TRP A 103 17.140 7.464 -13.303 1.00 0.00 H new ATOM 1625 N ASP A 104 11.119 3.027 -7.487 1.00 0.00 N ATOM 1626 CA ASP A 104 9.788 2.720 -6.966 1.00 0.00 C ATOM 1627 C ASP A 104 9.326 3.764 -5.948 1.00 0.00 C ATOM 1628 O ASP A 104 8.139 3.828 -5.614 1.00 0.00 O ATOM 1629 CB ASP A 104 9.785 1.323 -6.336 1.00 0.00 C ATOM 1630 CG ASP A 104 9.813 0.222 -7.380 1.00 0.00 C ATOM 1631 OD1 ASP A 104 8.862 0.144 -8.188 1.00 0.00 O ATOM 1632 OD2 ASP A 104 10.784 -0.560 -7.392 1.00 0.00 O ATOM 0 H ASP A 104 11.872 2.893 -6.812 1.00 0.00 H new ATOM 0 HA ASP A 104 9.086 2.742 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.649 1.221 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.897 1.209 -5.714 1.00 0.00 H new ATOM 1637 N PHE A 105 10.267 4.578 -5.456 1.00 0.00 N ATOM 1638 CA PHE A 105 9.960 5.622 -4.470 1.00 0.00 C ATOM 1639 C PHE A 105 10.928 6.811 -4.577 1.00 0.00 C ATOM 1640 O PHE A 105 11.463 7.289 -3.571 1.00 0.00 O ATOM 1641 CB PHE A 105 9.953 5.042 -3.032 1.00 0.00 C ATOM 1642 CG PHE A 105 10.876 3.862 -2.795 1.00 0.00 C ATOM 1643 CD1 PHE A 105 12.254 3.968 -2.957 1.00 0.00 C ATOM 1644 CD2 PHE A 105 10.346 2.640 -2.411 1.00 0.00 C ATOM 1645 CE1 PHE A 105 13.074 2.876 -2.740 1.00 0.00 C ATOM 1646 CE2 PHE A 105 11.161 1.549 -2.191 1.00 0.00 C ATOM 1647 CZ PHE A 105 12.528 1.666 -2.356 1.00 0.00 C ATOM 0 H PHE A 105 11.250 4.534 -5.725 1.00 0.00 H new ATOM 0 HA PHE A 105 8.960 5.995 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 105 10.224 5.837 -2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.935 4.739 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.687 4.912 -3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.278 2.541 -2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 105 14.142 2.969 -2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.731 0.605 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 105 13.168 0.813 -2.185 1.00 0.00 H new ATOM 1657 N TYR A 106 11.133 7.288 -5.809 1.00 0.00 N ATOM 1658 CA TYR A 106 12.020 8.427 -6.071 1.00 0.00 C ATOM 1659 C TYR A 106 11.550 9.193 -7.315 1.00 0.00 C ATOM 1660 O TYR A 106 11.683 8.706 -8.441 1.00 0.00 O ATOM 1661 CB TYR A 106 13.471 7.929 -6.238 1.00 0.00 C ATOM 1662 CG TYR A 106 14.519 9.009 -6.484 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.658 10.113 -5.639 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.384 8.906 -7.566 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.621 11.071 -5.875 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.351 9.865 -7.804 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.463 10.945 -6.957 1.00 0.00 C ATOM 1668 OH TYR A 106 17.425 11.901 -7.191 1.00 0.00 O ATOM 0 H TYR A 106 10.694 6.901 -6.645 1.00 0.00 H new ATOM 0 HA TYR A 106 11.986 9.113 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.751 7.375 -5.342 1.00 0.00 H new ATOM 0 HB3 TYR A 106 13.500 7.225 -7.070 1.00 0.00 H new ATOM 0 HD1 TYR A 106 14.001 10.218 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 106 15.300 8.061 -8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.715 11.919 -5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 106 17.015 9.768 -8.650 1.00 0.00 H new ATOM 0 HH TYR A 106 17.935 11.662 -7.993 1.00 0.00 H new ATOM 1678 N CYS A 107 10.992 10.389 -7.095 1.00 0.00 N ATOM 1679 CA CYS A 107 10.489 11.227 -8.188 1.00 0.00 C ATOM 1680 C CYS A 107 11.427 12.398 -8.474 1.00 0.00 C ATOM 1681 O CYS A 107 11.969 13.012 -7.552 1.00 0.00 O ATOM 1682 CB CYS A 107 9.092 11.764 -7.857 1.00 0.00 C ATOM 1683 SG CYS A 107 7.794 10.488 -7.764 1.00 0.00 S ATOM 0 H CYS A 107 10.878 10.798 -6.168 1.00 0.00 H new ATOM 0 HA CYS A 107 10.436 10.600 -9.078 1.00 0.00 H new ATOM 0 HB2 CYS A 107 9.135 12.290 -6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 107 8.810 12.497 -8.613 1.00 0.00 H new ATOM 1688 N GLN A 108 11.600 12.701 -9.765 1.00 0.00 N ATOM 1689 CA GLN A 108 12.458 13.803 -10.210 1.00 0.00 C ATOM 1690 C GLN A 108 11.829 14.540 -11.389 1.00 0.00 C ATOM 1691 O GLN A 108 12.058 15.761 -11.513 1.00 0.00 O ATOM 1692 CB GLN A 108 13.847 13.287 -10.607 1.00 0.00 C ATOM 1693 CG GLN A 108 14.752 12.973 -9.423 1.00 0.00 C ATOM 1694 CD GLN A 108 15.189 14.216 -8.669 1.00 0.00 C ATOM 1695 OE1 GLN A 108 15.885 15.075 -9.212 1.00 0.00 O ATOM 1696 NE2 GLN A 108 14.775 14.322 -7.412 1.00 0.00 N ATOM 1697 OXT GLN A 108 11.111 13.890 -12.177 1.00 0.00 O ATOM 0 H GLN A 108 11.152 12.192 -10.527 1.00 0.00 H new ATOM 0 HA GLN A 108 12.563 14.497 -9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 108 13.730 12.387 -11.211 1.00 0.00 H new ATOM 0 HB3 GLN A 108 14.334 14.032 -11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.229 12.304 -8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 108 15.634 12.440 -9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 108 14.200 13.587 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 108 15.032 15.139 -6.857 1.00 0.00 H new TER 1706 GLN A 108