USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 764 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 20 GLN : amide:sc= 0.759 K(o=3.4,f=-4.5!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 171:sc= 0.928! (180deg=0.221) USER MOD Set 1.3: A 90 TYR OH : rot 76:sc= 1.75 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -0.467 K(o=-3.5,f=-19!) USER MOD Set 2.2: A 49 SER OG : rot 115:sc= -0.976! USER MOD Set 2.3: A 86 SER OG : rot -167:sc= -0.0184 USER MOD Set 2.4: A 91 HIS : no HE2:sc= -2.04! C(o=-3.5!,f=-28!) USER MOD Set 3.1: A 5 SER OG : rot -124:sc= 0.344! USER MOD Set 3.2: A 11 LYS NZ :NH3+ 150:sc= -0.365 (180deg=-2.55!) USER MOD Set 3.3: A 58 TYR OH : rot 15:sc= -0.144! USER MOD Single : A 1 GLY N :NH3+ -119:sc= -1.13 (180deg=-3.38!) USER MOD Single : A 3 MET CE :methyl 149:sc= -0.0702 (180deg=-0.688) USER MOD Single : A 6 MET CE :methyl -157:sc= -0.0912 (180deg=-0.813) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0273 (180deg=-0.321) USER MOD Single : A 12 CYS SG : rot -162:sc= -5.6! USER MOD Single : A 13 SER OG : rot 180:sc= -1.02 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.171 (180deg=-0.756) USER MOD Single : A 27 GLN : amide:sc= -4.03! K(o=-4!,f=-1.8) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0129 (180deg=-0.278) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0117 (180deg=-0.329) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= 0.546 (180deg=0.314) USER MOD Single : A 41 LYS NZ :NH3+ -125:sc= -3! (180deg=-4.11!) USER MOD Single : A 44 SER OG : rot -170:sc= 0.664 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0974) USER MOD Single : A 55 SER OG : rot 94:sc= 1.12 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -168:sc= -1.26 (180deg=-1.77) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= 0.0721 (180deg=-0.34) USER MOD Single : A 76 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4.2!) USER MOD Single : A 81 SER OG : rot 160:sc= -1.44! USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 0.635! (180deg=-0.222!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.666 -3.785 -2.080 1.00 0.00 N ATOM 2 CA GLY A 1 -21.440 -2.551 -1.989 1.00 0.00 C ATOM 3 C GLY A 1 -21.275 -1.913 -0.617 1.00 0.00 C ATOM 4 O GLY A 1 -22.213 -1.895 0.188 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.958 -3.695 -2.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.186 -3.961 -1.175 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.303 -4.579 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.115 -1.854 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.493 -2.762 -2.173 1.00 0.00 H new ATOM 8 N PRO A 2 -20.099 -1.440 -0.311 1.00 0.00 N ATOM 9 CA PRO A 2 -19.817 -0.817 1.026 1.00 0.00 C ATOM 10 C PRO A 2 -20.704 0.402 1.278 1.00 0.00 C ATOM 11 O PRO A 2 -20.968 1.185 0.365 1.00 0.00 O ATOM 12 CB PRO A 2 -18.343 -0.400 0.920 1.00 0.00 C ATOM 13 CG PRO A 2 -17.779 -1.287 -0.138 1.00 0.00 C ATOM 14 CD PRO A 2 -18.892 -1.457 -1.159 1.00 0.00 C ATOM 0 HA PRO A 2 -20.017 -1.498 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.246 0.651 0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -17.823 -0.534 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -16.894 -0.842 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -17.476 -2.249 0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -18.898 -0.651 -1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -18.797 -2.391 -1.713 1.00 0.00 H new ATOM 22 N MET A 3 -21.118 0.579 2.521 1.00 0.00 N ATOM 23 CA MET A 3 -21.945 1.718 2.904 1.00 0.00 C ATOM 24 C MET A 3 -21.158 2.626 3.822 1.00 0.00 C ATOM 25 O MET A 3 -20.271 2.168 4.530 1.00 0.00 O ATOM 26 CB MET A 3 -23.223 1.242 3.599 1.00 0.00 C ATOM 27 CG MET A 3 -24.075 0.457 2.601 1.00 0.00 C ATOM 28 SD MET A 3 -25.605 -0.088 3.404 1.00 0.00 S ATOM 29 CE MET A 3 -26.424 1.525 3.449 1.00 0.00 C ATOM 0 H MET A 3 -20.895 -0.054 3.289 1.00 0.00 H new ATOM 0 HA MET A 3 -22.228 2.270 2.008 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.974 0.615 4.455 1.00 0.00 H new ATOM 0 HB3 MET A 3 -23.783 2.095 3.981 1.00 0.00 H new ATOM 0 HG2 MET A 3 -24.308 1.080 1.737 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.519 -0.405 2.232 1.00 0.00 H new ATOM 0 HE1 MET A 3 -27.503 1.388 3.375 1.00 0.00 H new ATOM 0 HE2 MET A 3 -26.186 2.028 4.386 1.00 0.00 H new ATOM 0 HE3 MET A 3 -26.077 2.133 2.613 1.00 0.00 H new ATOM 39 N GLY A 4 -21.383 3.920 3.705 1.00 0.00 N ATOM 40 CA GLY A 4 -20.585 4.897 4.431 1.00 0.00 C ATOM 41 C GLY A 4 -19.256 5.079 3.719 1.00 0.00 C ATOM 42 O GLY A 4 -18.349 5.749 4.217 1.00 0.00 O ATOM 0 H GLY A 4 -22.111 4.322 3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.115 5.848 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.420 4.562 5.455 1.00 0.00 H new ATOM 46 N SER A 5 -19.149 4.455 2.554 1.00 0.00 N ATOM 47 CA SER A 5 -17.949 4.488 1.746 1.00 0.00 C ATOM 48 C SER A 5 -18.082 5.490 0.602 1.00 0.00 C ATOM 49 O SER A 5 -19.089 5.483 -0.124 1.00 0.00 O ATOM 50 CB SER A 5 -17.705 3.094 1.173 1.00 0.00 C ATOM 51 OG SER A 5 -17.590 2.158 2.246 1.00 0.00 O ATOM 0 H SER A 5 -19.905 3.907 2.143 1.00 0.00 H new ATOM 0 HA SER A 5 -17.112 4.797 2.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.525 2.810 0.514 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.796 3.089 0.571 1.00 0.00 H new ATOM 0 HG SER A 5 -16.736 1.683 2.175 1.00 0.00 H new ATOM 57 N MET A 6 -17.029 6.271 0.384 1.00 0.00 N ATOM 58 CA MET A 6 -16.961 7.192 -0.745 1.00 0.00 C ATOM 59 C MET A 6 -15.713 6.898 -1.564 1.00 0.00 C ATOM 60 O MET A 6 -14.695 6.470 -1.014 1.00 0.00 O ATOM 61 CB MET A 6 -16.929 8.651 -0.272 1.00 0.00 C ATOM 62 CG MET A 6 -18.241 9.004 0.438 1.00 0.00 C ATOM 63 SD MET A 6 -18.245 10.769 0.844 1.00 0.00 S ATOM 64 CE MET A 6 -16.974 10.721 2.132 1.00 0.00 C ATOM 0 H MET A 6 -16.203 6.284 0.982 1.00 0.00 H new ATOM 0 HA MET A 6 -17.853 7.050 -1.356 1.00 0.00 H new ATOM 0 HB2 MET A 6 -16.088 8.804 0.404 1.00 0.00 H new ATOM 0 HB3 MET A 6 -16.778 9.314 -1.124 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.090 8.764 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 6 -18.348 8.410 1.346 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.092 11.580 2.792 1.00 0.00 H new ATOM 0 HE2 MET A 6 -17.076 9.802 2.710 1.00 0.00 H new ATOM 0 HE3 MET A 6 -15.987 10.751 1.671 1.00 0.00 H new ATOM 74 N ALA A 7 -15.783 7.128 -2.864 1.00 0.00 N ATOM 75 CA ALA A 7 -14.642 6.883 -3.739 1.00 0.00 C ATOM 76 C ALA A 7 -13.581 7.961 -3.574 1.00 0.00 C ATOM 77 O ALA A 7 -12.454 7.807 -4.050 1.00 0.00 O ATOM 78 CB ALA A 7 -15.083 6.799 -5.203 1.00 0.00 C ATOM 0 H ALA A 7 -16.613 7.483 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.208 5.926 -3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -14.214 6.616 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -15.796 5.984 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.553 7.738 -5.496 1.00 0.00 H new ATOM 84 N ASP A 8 -13.949 9.062 -2.922 1.00 0.00 N ATOM 85 CA ASP A 8 -13.007 10.157 -2.700 1.00 0.00 C ATOM 86 C ASP A 8 -11.884 9.671 -1.805 1.00 0.00 C ATOM 87 O ASP A 8 -10.717 9.985 -2.019 1.00 0.00 O ATOM 88 CB ASP A 8 -13.696 11.368 -2.058 1.00 0.00 C ATOM 89 CG ASP A 8 -12.851 12.612 -2.275 1.00 0.00 C ATOM 90 OD1 ASP A 8 -12.690 12.999 -3.421 1.00 0.00 O ATOM 91 OD2 ASP A 8 -12.376 13.170 -1.304 1.00 0.00 O ATOM 0 H ASP A 8 -14.882 9.219 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.610 10.473 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.686 11.508 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.838 11.195 -0.991 1.00 0.00 H new ATOM 96 N LYS A 9 -12.256 8.819 -0.856 1.00 0.00 N ATOM 97 CA LYS A 9 -11.292 8.160 0.003 1.00 0.00 C ATOM 98 C LYS A 9 -10.708 6.980 -0.745 1.00 0.00 C ATOM 99 O LYS A 9 -11.376 6.403 -1.617 1.00 0.00 O ATOM 100 CB LYS A 9 -11.954 7.668 1.301 1.00 0.00 C ATOM 101 CG LYS A 9 -12.533 8.849 2.110 1.00 0.00 C ATOM 102 CD LYS A 9 -11.409 9.770 2.592 1.00 0.00 C ATOM 103 CE LYS A 9 -12.003 10.921 3.416 1.00 0.00 C ATOM 104 NZ LYS A 9 -12.534 10.387 4.699 1.00 0.00 N ATOM 0 H LYS A 9 -13.227 8.570 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.510 8.870 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.749 6.962 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.222 7.132 1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.233 9.412 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.094 8.472 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.698 9.207 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.859 10.167 1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.240 11.675 3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.799 11.411 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.654 11.167 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.453 9.930 4.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.867 9.690 5.088 1.00 0.00 H new ATOM 118 N ILE A 10 -9.519 6.569 -0.374 1.00 0.00 N ATOM 119 CA ILE A 10 -8.914 5.416 -0.999 1.00 0.00 C ATOM 120 C ILE A 10 -8.950 4.277 -0.033 1.00 0.00 C ATOM 121 O ILE A 10 -8.493 4.406 1.100 1.00 0.00 O ATOM 122 CB ILE A 10 -7.451 5.680 -1.403 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.351 6.948 -2.241 1.00 0.00 C ATOM 124 CG2 ILE A 10 -6.931 4.492 -2.234 1.00 0.00 C ATOM 125 CD1 ILE A 10 -8.189 6.792 -3.510 1.00 0.00 C ATOM 0 H ILE A 10 -8.955 7.011 0.352 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.476 5.186 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.854 5.800 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.701 7.805 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.311 7.142 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.896 4.675 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.987 3.580 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.542 4.379 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.116 7.700 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.819 5.946 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.230 6.619 -3.239 1.00 0.00 H new ATOM 137 N LYS A 11 -9.458 3.165 -0.487 1.00 0.00 N ATOM 138 CA LYS A 11 -9.486 1.978 0.313 1.00 0.00 C ATOM 139 C LYS A 11 -8.277 1.165 -0.058 1.00 0.00 C ATOM 140 O LYS A 11 -8.190 0.675 -1.183 1.00 0.00 O ATOM 141 CB LYS A 11 -10.717 1.175 -0.042 1.00 0.00 C ATOM 142 CG LYS A 11 -11.976 1.977 0.226 1.00 0.00 C ATOM 143 CD LYS A 11 -13.174 1.202 -0.318 1.00 0.00 C ATOM 144 CE LYS A 11 -13.389 -0.066 0.507 1.00 0.00 C ATOM 145 NZ LYS A 11 -14.787 -0.510 0.365 1.00 0.00 N ATOM 0 H LYS A 11 -9.862 3.059 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.496 2.226 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.679 0.888 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.736 0.253 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.093 2.151 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.910 2.955 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.068 1.825 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.006 0.943 -1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.711 -0.851 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.161 0.126 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.834 -1.545 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.368 -0.068 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.147 -0.231 -0.570 1.00 0.00 H new ATOM 159 N CYS A 12 -7.293 1.117 0.800 1.00 0.00 N ATOM 160 CA CYS A 12 -6.071 0.433 0.426 1.00 0.00 C ATOM 161 C CYS A 12 -5.357 -0.226 1.585 1.00 0.00 C ATOM 162 O CYS A 12 -5.612 0.068 2.766 1.00 0.00 O ATOM 163 CB CYS A 12 -5.124 1.379 -0.343 1.00 0.00 C ATOM 164 SG CYS A 12 -3.565 1.592 0.563 1.00 0.00 S ATOM 0 H CYS A 12 -7.303 1.527 1.734 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.375 -0.380 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.923 0.974 -1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.604 2.347 -0.485 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.950 2.651 0.126 1.00 0.00 H new ATOM 170 N SER A 13 -4.398 -1.040 1.219 1.00 0.00 N ATOM 171 CA SER A 13 -3.490 -1.669 2.134 1.00 0.00 C ATOM 172 C SER A 13 -2.094 -1.543 1.542 1.00 0.00 C ATOM 173 O SER A 13 -1.939 -1.568 0.315 1.00 0.00 O ATOM 174 CB SER A 13 -3.871 -3.140 2.302 1.00 0.00 C ATOM 175 OG SER A 13 -5.250 -3.227 2.673 1.00 0.00 O ATOM 0 H SER A 13 -4.226 -1.288 0.245 1.00 0.00 H new ATOM 0 HA SER A 13 -3.528 -1.197 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.697 -3.682 1.373 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.246 -3.606 3.064 1.00 0.00 H new ATOM 0 HG SER A 13 -5.501 -4.168 2.781 1.00 0.00 H new ATOM 181 N HIS A 14 -1.092 -1.352 2.379 1.00 0.00 N ATOM 182 CA HIS A 14 0.250 -1.155 1.878 1.00 0.00 C ATOM 183 C HIS A 14 1.295 -1.887 2.695 1.00 0.00 C ATOM 184 O HIS A 14 1.121 -2.129 3.899 1.00 0.00 O ATOM 185 CB HIS A 14 0.585 0.345 1.737 1.00 0.00 C ATOM 186 CG HIS A 14 1.351 0.863 2.930 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.449 1.694 2.780 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.190 0.699 4.281 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.905 1.997 4.009 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.177 1.416 4.963 1.00 0.00 N ATOM 0 H HIS A 14 -1.181 -1.329 3.395 1.00 0.00 H new ATOM 0 HA HIS A 14 0.277 -1.597 0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 14 1.172 0.503 0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.337 0.914 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.418 0.106 4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.757 2.633 4.200 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.311 1.481 5.972 1.00 0.00 H new ATOM 198 N ILE A 15 2.369 -2.237 2.030 1.00 0.00 N ATOM 199 CA ILE A 15 3.489 -2.913 2.635 1.00 0.00 C ATOM 200 C ILE A 15 4.722 -2.042 2.433 1.00 0.00 C ATOM 201 O ILE A 15 4.997 -1.615 1.309 1.00 0.00 O ATOM 202 CB ILE A 15 3.662 -4.284 1.953 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.394 -5.114 2.172 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.862 -5.041 2.538 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.424 -6.355 1.284 1.00 0.00 C ATOM 0 H ILE A 15 2.491 -2.056 1.034 1.00 0.00 H new ATOM 0 HA ILE A 15 3.334 -3.075 3.702 1.00 0.00 H new ATOM 0 HB ILE A 15 3.836 -4.124 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.318 -5.407 3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.513 -4.514 1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.962 -6.005 2.040 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.770 -4.458 2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.707 -5.199 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.519 -6.940 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.479 -6.053 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.296 -6.960 1.533 1.00 0.00 H new ATOM 217 N LEU A 16 5.425 -1.734 3.510 1.00 0.00 N ATOM 218 CA LEU A 16 6.596 -0.863 3.420 1.00 0.00 C ATOM 219 C LEU A 16 7.842 -1.725 3.384 1.00 0.00 C ATOM 220 O LEU A 16 8.098 -2.500 4.319 1.00 0.00 O ATOM 221 CB LEU A 16 6.634 0.087 4.639 1.00 0.00 C ATOM 222 CG LEU A 16 7.516 1.333 4.370 1.00 0.00 C ATOM 223 CD1 LEU A 16 8.873 0.946 3.773 1.00 0.00 C ATOM 224 CD2 LEU A 16 6.788 2.281 3.408 1.00 0.00 C ATOM 0 H LEU A 16 5.212 -2.068 4.450 1.00 0.00 H new ATOM 0 HA LEU A 16 6.546 -0.260 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.621 0.405 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.018 -0.450 5.506 1.00 0.00 H new ATOM 0 HG LEU A 16 7.695 1.829 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.463 1.845 3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.403 0.293 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.719 0.424 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.410 3.156 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.593 1.766 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.843 2.595 3.852 1.00 0.00 H new ATOM 236 N VAL A 17 8.602 -1.616 2.312 1.00 0.00 N ATOM 237 CA VAL A 17 9.792 -2.425 2.144 1.00 0.00 C ATOM 238 C VAL A 17 11.012 -1.570 1.842 1.00 0.00 C ATOM 239 O VAL A 17 10.909 -0.502 1.230 1.00 0.00 O ATOM 240 CB VAL A 17 9.571 -3.473 1.048 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.340 -4.326 1.386 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.352 -2.792 -0.303 1.00 0.00 C ATOM 0 H VAL A 17 8.415 -0.973 1.543 1.00 0.00 H new ATOM 0 HA VAL A 17 9.984 -2.940 3.085 1.00 0.00 H new ATOM 0 HB VAL A 17 10.456 -4.107 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.187 -5.070 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.497 -4.830 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.461 -3.685 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.196 -3.549 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.476 -2.146 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.228 -2.194 -0.555 1.00 0.00 H new ATOM 252 N LYS A 18 12.153 -2.015 2.320 1.00 0.00 N ATOM 253 CA LYS A 18 13.389 -1.296 2.119 1.00 0.00 C ATOM 254 C LYS A 18 13.790 -1.276 0.653 1.00 0.00 C ATOM 255 O LYS A 18 14.403 -0.310 0.188 1.00 0.00 O ATOM 256 CB LYS A 18 14.513 -1.895 2.970 1.00 0.00 C ATOM 257 CG LYS A 18 14.218 -1.649 4.457 1.00 0.00 C ATOM 258 CD LYS A 18 15.364 -2.202 5.310 1.00 0.00 C ATOM 259 CE LYS A 18 15.078 -1.944 6.803 1.00 0.00 C ATOM 260 NZ LYS A 18 16.207 -2.450 7.624 1.00 0.00 N ATOM 0 H LYS A 18 12.249 -2.878 2.855 1.00 0.00 H new ATOM 0 HA LYS A 18 13.223 -0.267 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.598 -2.964 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.468 -1.445 2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.097 -0.582 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.280 -2.129 4.736 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.478 -3.271 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.303 -1.729 5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.939 -0.877 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.152 -2.439 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.011 -2.274 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.320 -3.472 7.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.082 -1.959 7.351 1.00 0.00 H new ATOM 274 N LYS A 19 13.611 -2.409 -0.023 1.00 0.00 N ATOM 275 CA LYS A 19 14.128 -2.559 -1.378 1.00 0.00 C ATOM 276 C LYS A 19 13.011 -2.594 -2.410 1.00 0.00 C ATOM 277 O LYS A 19 11.959 -3.195 -2.185 1.00 0.00 O ATOM 278 CB LYS A 19 14.951 -3.846 -1.476 1.00 0.00 C ATOM 279 CG LYS A 19 15.983 -3.891 -0.335 1.00 0.00 C ATOM 280 CD LYS A 19 17.010 -2.761 -0.505 1.00 0.00 C ATOM 281 CE LYS A 19 17.963 -2.741 0.700 1.00 0.00 C ATOM 282 NZ LYS A 19 18.258 -4.127 1.143 1.00 0.00 N ATOM 0 H LYS A 19 13.119 -3.225 0.340 1.00 0.00 H new ATOM 0 HA LYS A 19 14.755 -1.693 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.294 -4.714 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.458 -3.892 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 19 15.478 -3.792 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.490 -4.856 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 19 17.575 -2.906 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.499 -1.802 -0.593 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.889 -2.232 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.515 -2.177 1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.113 -4.128 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.455 -4.494 1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.413 -4.732 0.311 1.00 0.00 H new ATOM 296 N GLN A 20 13.300 -2.089 -3.595 1.00 0.00 N ATOM 297 CA GLN A 20 12.357 -2.196 -4.700 1.00 0.00 C ATOM 298 C GLN A 20 12.150 -3.662 -5.057 1.00 0.00 C ATOM 299 O GLN A 20 11.027 -4.097 -5.336 1.00 0.00 O ATOM 300 CB GLN A 20 12.828 -1.403 -5.931 1.00 0.00 C ATOM 301 CG GLN A 20 14.328 -1.619 -6.192 1.00 0.00 C ATOM 302 CD GLN A 20 15.014 -0.272 -6.391 1.00 0.00 C ATOM 303 OE1 GLN A 20 15.413 0.375 -5.417 1.00 0.00 O ATOM 304 NE2 GLN A 20 15.158 0.200 -7.584 1.00 0.00 N ATOM 0 H GLN A 20 14.170 -1.605 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 20 11.409 -1.763 -4.380 1.00 0.00 H new ATOM 0 HB2 GLN A 20 12.256 -1.711 -6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 20 12.632 -0.342 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 20 14.780 -2.148 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.467 -2.243 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.828 -0.335 -8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.602 1.108 -7.723 1.00 0.00 H new ATOM 313 N GLY A 21 13.231 -4.432 -4.982 1.00 0.00 N ATOM 314 CA GLY A 21 13.168 -5.862 -5.243 1.00 0.00 C ATOM 315 C GLY A 21 12.258 -6.542 -4.245 1.00 0.00 C ATOM 316 O GLY A 21 11.463 -7.403 -4.609 1.00 0.00 O ATOM 0 H GLY A 21 14.161 -4.087 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.803 -6.037 -6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.168 -6.293 -5.185 1.00 0.00 H new ATOM 320 N GLU A 22 12.294 -6.076 -3.008 1.00 0.00 N ATOM 321 CA GLU A 22 11.397 -6.584 -1.988 1.00 0.00 C ATOM 322 C GLU A 22 9.966 -6.253 -2.362 1.00 0.00 C ATOM 323 O GLU A 22 9.076 -7.106 -2.293 1.00 0.00 O ATOM 324 CB GLU A 22 11.730 -5.934 -0.645 1.00 0.00 C ATOM 325 CG GLU A 22 13.074 -6.452 -0.116 1.00 0.00 C ATOM 326 CD GLU A 22 13.510 -5.656 1.108 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.863 -4.672 1.432 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.488 -6.034 1.702 1.00 0.00 O ATOM 0 H GLU A 22 12.933 -5.349 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 22 11.514 -7.665 -1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.770 -4.851 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.941 -6.150 0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.987 -7.508 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.832 -6.375 -0.896 1.00 0.00 H new ATOM 335 N ALA A 23 9.756 -5.017 -2.797 1.00 0.00 N ATOM 336 CA ALA A 23 8.429 -4.574 -3.201 1.00 0.00 C ATOM 337 C ALA A 23 7.913 -5.421 -4.358 1.00 0.00 C ATOM 338 O ALA A 23 6.798 -5.940 -4.312 1.00 0.00 O ATOM 339 CB ALA A 23 8.458 -3.092 -3.600 1.00 0.00 C ATOM 0 H ALA A 23 10.484 -4.307 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 23 7.753 -4.694 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.459 -2.776 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.789 -2.493 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.147 -2.953 -4.433 1.00 0.00 H new ATOM 345 N LEU A 24 8.733 -5.577 -5.377 1.00 0.00 N ATOM 346 CA LEU A 24 8.355 -6.385 -6.529 1.00 0.00 C ATOM 347 C LEU A 24 8.169 -7.831 -6.116 1.00 0.00 C ATOM 348 O LEU A 24 7.256 -8.512 -6.574 1.00 0.00 O ATOM 349 CB LEU A 24 9.416 -6.295 -7.616 1.00 0.00 C ATOM 350 CG LEU A 24 9.439 -4.877 -8.197 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.655 -4.724 -9.097 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.172 -4.628 -9.022 1.00 0.00 C ATOM 0 H LEU A 24 9.662 -5.159 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 24 7.414 -6.001 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.394 -6.546 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.206 -7.018 -8.404 1.00 0.00 H new ATOM 0 HG LEU A 24 9.485 -4.157 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 10.676 -3.717 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.561 -4.895 -8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.601 -5.450 -9.908 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.197 -3.618 -9.431 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.122 -5.349 -9.838 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.295 -4.740 -8.385 1.00 0.00 H new ATOM 364 N ALA A 25 9.063 -8.305 -5.272 1.00 0.00 N ATOM 365 CA ALA A 25 9.028 -9.685 -4.829 1.00 0.00 C ATOM 366 C ALA A 25 7.698 -10.000 -4.179 1.00 0.00 C ATOM 367 O ALA A 25 7.033 -10.967 -4.541 1.00 0.00 O ATOM 368 CB ALA A 25 10.163 -9.955 -3.841 1.00 0.00 C ATOM 0 H ALA A 25 9.825 -7.753 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 25 9.155 -10.327 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.124 -10.995 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.120 -9.761 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.055 -9.301 -2.975 1.00 0.00 H new ATOM 374 N VAL A 26 7.258 -9.128 -3.289 1.00 0.00 N ATOM 375 CA VAL A 26 5.970 -9.310 -2.676 1.00 0.00 C ATOM 376 C VAL A 26 4.881 -9.066 -3.686 1.00 0.00 C ATOM 377 O VAL A 26 3.824 -9.687 -3.634 1.00 0.00 O ATOM 378 CB VAL A 26 5.798 -8.441 -1.418 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.900 -8.782 -0.414 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.882 -6.958 -1.773 1.00 0.00 C ATOM 0 H VAL A 26 7.771 -8.301 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 26 5.897 -10.343 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 26 4.819 -8.643 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.781 -8.168 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.831 -9.835 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.874 -8.586 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.758 -6.360 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.854 -6.745 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.094 -6.709 -2.484 1.00 0.00 H new ATOM 390 N GLN A 27 5.144 -8.165 -4.620 1.00 0.00 N ATOM 391 CA GLN A 27 4.172 -7.859 -5.637 1.00 0.00 C ATOM 392 C GLN A 27 3.888 -9.120 -6.447 1.00 0.00 C ATOM 393 O GLN A 27 2.735 -9.501 -6.642 1.00 0.00 O ATOM 394 CB GLN A 27 4.712 -6.769 -6.574 1.00 0.00 C ATOM 395 CG GLN A 27 3.585 -6.311 -7.480 1.00 0.00 C ATOM 396 CD GLN A 27 4.064 -5.251 -8.457 1.00 0.00 C ATOM 397 OE1 GLN A 27 4.903 -5.536 -9.308 1.00 0.00 O ATOM 398 NE2 GLN A 27 3.604 -4.050 -8.385 1.00 0.00 N ATOM 0 H GLN A 27 6.017 -7.641 -4.688 1.00 0.00 H new ATOM 0 HA GLN A 27 3.258 -7.501 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.098 -5.930 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.541 -7.156 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.187 -7.164 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.769 -5.912 -6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.907 -3.812 -7.679 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.936 -3.337 -9.034 1.00 0.00 H new ATOM 407 N GLU A 28 4.955 -9.801 -6.847 1.00 0.00 N ATOM 408 CA GLU A 28 4.834 -11.063 -7.567 1.00 0.00 C ATOM 409 C GLU A 28 4.268 -12.128 -6.651 1.00 0.00 C ATOM 410 O GLU A 28 3.426 -12.935 -7.053 1.00 0.00 O ATOM 411 CB GLU A 28 6.209 -11.533 -8.047 1.00 0.00 C ATOM 412 CG GLU A 28 6.748 -10.611 -9.143 1.00 0.00 C ATOM 413 CD GLU A 28 8.129 -11.060 -9.575 1.00 0.00 C ATOM 414 OE1 GLU A 28 8.556 -12.123 -9.157 1.00 0.00 O ATOM 415 OE2 GLU A 28 8.740 -10.355 -10.336 1.00 0.00 O ATOM 0 H GLU A 28 5.916 -9.500 -6.685 1.00 0.00 H new ATOM 0 HA GLU A 28 4.174 -10.906 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.905 -11.553 -7.208 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.138 -12.552 -8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.072 -10.617 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.790 -9.585 -8.777 1.00 0.00 H new ATOM 422 N ARG A 29 4.776 -12.151 -5.437 1.00 0.00 N ATOM 423 CA ARG A 29 4.396 -13.144 -4.449 1.00 0.00 C ATOM 424 C ARG A 29 2.907 -13.052 -4.153 1.00 0.00 C ATOM 425 O ARG A 29 2.230 -14.066 -3.990 1.00 0.00 O ATOM 426 CB ARG A 29 5.213 -12.953 -3.178 1.00 0.00 C ATOM 427 CG ARG A 29 4.883 -14.052 -2.180 1.00 0.00 C ATOM 428 CD ARG A 29 5.718 -13.850 -0.921 1.00 0.00 C ATOM 429 NE ARG A 29 5.357 -14.840 0.069 1.00 0.00 N ATOM 430 CZ ARG A 29 5.691 -14.712 1.341 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.464 -13.742 1.726 1.00 0.00 N ATOM 432 NH2 ARG A 29 5.257 -15.562 2.204 1.00 0.00 N ATOM 0 H ARG A 29 5.468 -11.479 -5.104 1.00 0.00 H new ATOM 0 HA ARG A 29 4.602 -14.138 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.277 -12.971 -3.413 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.000 -11.977 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.821 -14.030 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.090 -15.030 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.778 -13.931 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.556 -12.848 -0.523 1.00 0.00 H new ATOM 0 HE ARG A 29 4.829 -15.662 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.819 -13.071 1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.717 -13.651 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.657 -16.331 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.513 -15.467 3.187 1.00 0.00 H new ATOM 446 N LEU A 30 2.405 -11.839 -4.094 1.00 0.00 N ATOM 447 CA LEU A 30 0.997 -11.601 -3.809 1.00 0.00 C ATOM 448 C LEU A 30 0.163 -12.344 -4.854 1.00 0.00 C ATOM 449 O LEU A 30 -0.803 -13.050 -4.523 1.00 0.00 O ATOM 450 CB LEU A 30 0.716 -10.080 -3.883 1.00 0.00 C ATOM 451 CG LEU A 30 -0.541 -9.694 -3.079 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.709 -10.595 -3.448 1.00 0.00 C ATOM 453 CD2 LEU A 30 -0.258 -9.805 -1.572 1.00 0.00 C ATOM 0 H LEU A 30 2.952 -10.991 -4.240 1.00 0.00 H new ATOM 0 HA LEU A 30 0.739 -11.959 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.576 -9.532 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.588 -9.784 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.802 -8.664 -3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.587 -10.307 -2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.925 -10.493 -4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.453 -11.631 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.152 -9.530 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.021 -10.830 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.558 -9.133 -1.305 1.00 0.00 H new ATOM 465 N LYS A 31 0.614 -12.289 -6.090 1.00 0.00 N ATOM 466 CA LYS A 31 -0.016 -13.038 -7.165 1.00 0.00 C ATOM 467 C LYS A 31 0.057 -14.545 -6.892 1.00 0.00 C ATOM 468 O LYS A 31 -0.822 -15.297 -7.305 1.00 0.00 O ATOM 469 CB LYS A 31 0.603 -12.682 -8.529 1.00 0.00 C ATOM 470 CG LYS A 31 -0.101 -11.434 -9.103 1.00 0.00 C ATOM 471 CD LYS A 31 0.581 -10.153 -8.583 1.00 0.00 C ATOM 472 CE LYS A 31 -0.233 -8.915 -8.998 1.00 0.00 C ATOM 473 NZ LYS A 31 -0.320 -8.838 -10.476 1.00 0.00 N ATOM 0 H LYS A 31 1.418 -11.732 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.068 -12.756 -7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.670 -12.492 -8.417 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.499 -13.520 -9.218 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.067 -11.457 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.153 -11.437 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.668 -10.193 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.593 -10.083 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.234 -8.967 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.236 -8.013 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.689 -7.906 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.626 -8.973 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.958 -9.581 -10.825 1.00 0.00 H new ATOM 487 N ALA A 32 1.068 -14.973 -6.133 1.00 0.00 N ATOM 488 CA ALA A 32 1.200 -16.384 -5.759 1.00 0.00 C ATOM 489 C ALA A 32 0.052 -16.816 -4.853 1.00 0.00 C ATOM 490 O ALA A 32 -0.043 -17.985 -4.466 1.00 0.00 O ATOM 491 CB ALA A 32 2.546 -16.651 -5.073 1.00 0.00 C ATOM 0 H ALA A 32 1.803 -14.368 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 32 1.160 -16.973 -6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.616 -17.706 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.358 -16.394 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.622 -16.043 -4.171 1.00 0.00 H new ATOM 497 N GLY A 33 -0.833 -15.882 -4.541 1.00 0.00 N ATOM 498 CA GLY A 33 -2.008 -16.177 -3.738 1.00 0.00 C ATOM 499 C GLY A 33 -1.711 -16.133 -2.255 1.00 0.00 C ATOM 500 O GLY A 33 -2.511 -16.622 -1.449 1.00 0.00 O ATOM 0 H GLY A 33 -0.758 -14.908 -4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.795 -15.460 -3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.388 -17.164 -4.002 1.00 0.00 H new ATOM 504 N GLU A 34 -0.619 -15.484 -1.875 1.00 0.00 N ATOM 505 CA GLU A 34 -0.338 -15.294 -0.467 1.00 0.00 C ATOM 506 C GLU A 34 -1.024 -14.033 0.021 1.00 0.00 C ATOM 507 O GLU A 34 -1.200 -13.079 -0.743 1.00 0.00 O ATOM 508 CB GLU A 34 1.166 -15.241 -0.178 1.00 0.00 C ATOM 509 CG GLU A 34 1.781 -16.611 -0.473 1.00 0.00 C ATOM 510 CD GLU A 34 3.120 -16.741 0.221 1.00 0.00 C ATOM 511 OE1 GLU A 34 3.151 -16.676 1.436 1.00 0.00 O ATOM 512 OE2 GLU A 34 4.102 -16.904 -0.463 1.00 0.00 O ATOM 0 H GLU A 34 0.073 -15.088 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.730 -16.155 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.640 -14.476 -0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.340 -14.967 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.109 -17.400 -0.135 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.906 -16.738 -1.548 1.00 0.00 H new ATOM 519 N LYS A 35 -1.491 -14.059 1.252 1.00 0.00 N ATOM 520 CA LYS A 35 -2.239 -12.937 1.782 1.00 0.00 C ATOM 521 C LYS A 35 -1.404 -11.687 1.877 1.00 0.00 C ATOM 522 O LYS A 35 -0.260 -11.713 2.328 1.00 0.00 O ATOM 523 CB LYS A 35 -2.858 -13.271 3.138 1.00 0.00 C ATOM 524 CG LYS A 35 -4.073 -14.172 2.932 1.00 0.00 C ATOM 525 CD LYS A 35 -4.646 -14.573 4.294 1.00 0.00 C ATOM 526 CE LYS A 35 -5.970 -15.330 4.104 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.748 -16.538 3.259 1.00 0.00 N ATOM 0 H LYS A 35 -1.368 -14.837 1.900 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.044 -12.740 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.125 -13.770 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.153 -12.356 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.830 -13.651 2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.789 -15.061 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.932 -15.200 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.809 -13.685 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.374 -15.623 5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.707 -14.678 3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.574 -17.166 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.613 -16.249 2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.901 -17.043 3.590 1.00 0.00 H new ATOM 541 N PHE A 36 -2.026 -10.585 1.537 1.00 0.00 N ATOM 542 CA PHE A 36 -1.403 -9.291 1.606 1.00 0.00 C ATOM 543 C PHE A 36 -0.954 -9.069 3.028 1.00 0.00 C ATOM 544 O PHE A 36 0.189 -8.700 3.291 1.00 0.00 O ATOM 545 CB PHE A 36 -2.438 -8.235 1.228 1.00 0.00 C ATOM 546 CG PHE A 36 -1.774 -6.892 1.044 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.270 -6.540 -0.213 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.659 -6.004 2.121 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.656 -5.301 -0.396 1.00 0.00 C ATOM 550 CE2 PHE A 36 -1.043 -4.762 1.934 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.541 -4.414 0.673 1.00 0.00 C ATOM 0 H PHE A 36 -2.989 -10.564 1.201 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.552 -9.227 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.945 -8.526 0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.200 -8.168 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.356 -7.228 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.044 -6.277 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.269 -5.029 -1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.954 -4.072 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.064 -3.456 0.529 1.00 0.00 H new ATOM 561 N GLY A 37 -1.842 -9.385 3.947 1.00 0.00 N ATOM 562 CA GLY A 37 -1.539 -9.289 5.355 1.00 0.00 C ATOM 563 C GLY A 37 -0.408 -10.221 5.731 1.00 0.00 C ATOM 564 O GLY A 37 0.464 -9.865 6.520 1.00 0.00 O ATOM 0 H GLY A 37 -2.785 -9.713 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.267 -8.263 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.426 -9.534 5.939 1.00 0.00 H new ATOM 568 N LYS A 38 -0.376 -11.389 5.113 1.00 0.00 N ATOM 569 CA LYS A 38 0.692 -12.337 5.361 1.00 0.00 C ATOM 570 C LYS A 38 2.013 -11.696 4.969 1.00 0.00 C ATOM 571 O LYS A 38 2.949 -11.645 5.771 1.00 0.00 O ATOM 572 CB LYS A 38 0.437 -13.648 4.587 1.00 0.00 C ATOM 573 CG LYS A 38 1.485 -14.718 4.933 1.00 0.00 C ATOM 574 CD LYS A 38 1.092 -16.041 4.249 1.00 0.00 C ATOM 575 CE LYS A 38 2.102 -17.144 4.599 1.00 0.00 C ATOM 576 NZ LYS A 38 3.366 -16.903 3.875 1.00 0.00 N ATOM 0 H LYS A 38 -1.075 -11.701 4.439 1.00 0.00 H new ATOM 0 HA LYS A 38 0.729 -12.595 6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.559 -14.023 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.458 -13.449 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.473 -14.400 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.542 -14.854 6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.093 -16.339 4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.055 -15.902 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.283 -17.158 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.698 -18.120 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.952 -17.762 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.158 -16.659 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.880 -16.119 4.325 1.00 0.00 H new ATOM 590 N LEU A 39 2.011 -11.046 3.812 1.00 0.00 N ATOM 591 CA LEU A 39 3.146 -10.251 3.371 1.00 0.00 C ATOM 592 C LEU A 39 3.397 -9.095 4.328 1.00 0.00 C ATOM 593 O LEU A 39 4.538 -8.740 4.589 1.00 0.00 O ATOM 594 CB LEU A 39 2.926 -9.702 1.945 1.00 0.00 C ATOM 595 CG LEU A 39 3.322 -10.744 0.879 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.813 -11.072 0.994 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.496 -12.033 1.038 1.00 0.00 C ATOM 0 H LEU A 39 1.228 -11.056 3.158 1.00 0.00 H new ATOM 0 HA LEU A 39 4.018 -10.905 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.879 -9.426 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.514 -8.795 1.807 1.00 0.00 H new ATOM 0 HG LEU A 39 3.118 -10.319 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.083 -11.809 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.398 -10.165 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.021 -11.477 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.794 -12.752 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.672 -12.458 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.437 -11.802 0.926 1.00 0.00 H new ATOM 609 N ALA A 40 2.331 -8.461 4.801 1.00 0.00 N ATOM 610 CA ALA A 40 2.479 -7.318 5.686 1.00 0.00 C ATOM 611 C ALA A 40 3.145 -7.741 6.976 1.00 0.00 C ATOM 612 O ALA A 40 4.076 -7.085 7.456 1.00 0.00 O ATOM 613 CB ALA A 40 1.123 -6.687 5.983 1.00 0.00 C ATOM 0 H ALA A 40 1.367 -8.717 4.589 1.00 0.00 H new ATOM 0 HA ALA A 40 3.104 -6.577 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.257 -5.833 6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.665 -6.354 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.477 -7.422 6.463 1.00 0.00 H new ATOM 619 N LYS A 41 2.711 -8.881 7.500 1.00 0.00 N ATOM 620 CA LYS A 41 3.325 -9.455 8.685 1.00 0.00 C ATOM 621 C LYS A 41 4.761 -9.878 8.374 1.00 0.00 C ATOM 622 O LYS A 41 5.668 -9.709 9.197 1.00 0.00 O ATOM 623 CB LYS A 41 2.538 -10.690 9.144 1.00 0.00 C ATOM 624 CG LYS A 41 1.136 -10.320 9.668 1.00 0.00 C ATOM 625 CD LYS A 41 1.258 -9.449 10.928 1.00 0.00 C ATOM 626 CE LYS A 41 0.006 -9.593 11.827 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.165 -10.099 11.053 1.00 0.00 N ATOM 0 H LYS A 41 1.936 -9.424 7.121 1.00 0.00 H new ATOM 0 HA LYS A 41 3.321 -8.703 9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.442 -11.388 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.094 -11.203 9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.581 -9.784 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.573 -11.225 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.147 -9.737 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.386 -8.405 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.223 -10.275 12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.239 -8.628 12.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.964 -9.443 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.912 -10.169 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.436 -11.038 11.408 1.00 0.00 H new ATOM 641 N GLU A 42 4.939 -10.516 7.225 1.00 0.00 N ATOM 642 CA GLU A 42 6.237 -11.054 6.842 1.00 0.00 C ATOM 643 C GLU A 42 7.260 -9.985 6.472 1.00 0.00 C ATOM 644 O GLU A 42 8.458 -10.182 6.681 1.00 0.00 O ATOM 645 CB GLU A 42 6.095 -12.050 5.693 1.00 0.00 C ATOM 646 CG GLU A 42 5.471 -13.367 6.189 1.00 0.00 C ATOM 647 CD GLU A 42 5.431 -14.379 5.057 1.00 0.00 C ATOM 648 OE1 GLU A 42 6.156 -14.198 4.103 1.00 0.00 O ATOM 649 OE2 GLU A 42 4.687 -15.325 5.148 1.00 0.00 O ATOM 0 H GLU A 42 4.199 -10.674 6.541 1.00 0.00 H new ATOM 0 HA GLU A 42 6.617 -11.561 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.473 -11.620 4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.073 -12.248 5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.051 -13.763 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.463 -13.184 6.561 1.00 0.00 H new ATOM 656 N LEU A 43 6.826 -8.976 5.737 1.00 0.00 N ATOM 657 CA LEU A 43 7.750 -8.012 5.164 1.00 0.00 C ATOM 658 C LEU A 43 7.623 -6.637 5.780 1.00 0.00 C ATOM 659 O LEU A 43 8.590 -6.105 6.332 1.00 0.00 O ATOM 660 CB LEU A 43 7.510 -7.898 3.663 1.00 0.00 C ATOM 661 CG LEU A 43 8.719 -8.414 2.899 1.00 0.00 C ATOM 662 CD1 LEU A 43 8.484 -9.868 2.509 1.00 0.00 C ATOM 663 CD2 LEU A 43 8.910 -7.566 1.653 1.00 0.00 C ATOM 0 H LEU A 43 5.844 -8.803 5.523 1.00 0.00 H new ATOM 0 HA LEU A 43 8.755 -8.379 5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.624 -8.468 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.318 -6.859 3.396 1.00 0.00 H new ATOM 0 HG LEU A 43 9.612 -8.352 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.349 -10.242 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.338 -10.467 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.597 -9.937 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.775 -7.927 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.021 -7.635 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.072 -6.527 1.941 1.00 0.00 H new ATOM 675 N SER A 44 6.513 -5.983 5.474 1.00 0.00 N ATOM 676 CA SER A 44 6.332 -4.568 5.762 1.00 0.00 C ATOM 677 C SER A 44 7.038 -4.139 7.049 1.00 0.00 C ATOM 678 O SER A 44 6.832 -4.728 8.111 1.00 0.00 O ATOM 679 CB SER A 44 4.849 -4.225 5.832 1.00 0.00 C ATOM 680 OG SER A 44 4.673 -2.822 5.630 1.00 0.00 O ATOM 0 H SER A 44 5.711 -6.419 5.018 1.00 0.00 H new ATOM 0 HA SER A 44 6.792 -4.014 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.300 -4.784 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.443 -4.517 6.800 1.00 0.00 H new ATOM 0 HG SER A 44 3.746 -2.576 5.830 1.00 0.00 H new ATOM 686 N ILE A 45 7.836 -3.081 6.946 1.00 0.00 N ATOM 687 CA ILE A 45 8.543 -2.531 8.093 1.00 0.00 C ATOM 688 C ILE A 45 7.692 -1.452 8.755 1.00 0.00 C ATOM 689 O ILE A 45 8.011 -0.964 9.848 1.00 0.00 O ATOM 690 CB ILE A 45 9.919 -1.976 7.674 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.746 -0.858 6.640 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.770 -3.100 7.063 1.00 0.00 C ATOM 693 CD1 ILE A 45 11.115 -0.255 6.306 1.00 0.00 C ATOM 0 H ILE A 45 8.009 -2.585 6.071 1.00 0.00 H new ATOM 0 HA ILE A 45 8.718 -3.328 8.816 1.00 0.00 H new ATOM 0 HB ILE A 45 10.417 -1.577 8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.280 -1.252 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.082 -0.087 7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.741 -2.702 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.910 -3.892 7.799 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.263 -3.505 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.993 0.540 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.563 0.154 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.764 -1.030 5.898 1.00 0.00 H new ATOM 705 N ASP A 46 6.543 -1.177 8.145 1.00 0.00 N ATOM 706 CA ASP A 46 5.568 -0.276 8.734 1.00 0.00 C ATOM 707 C ASP A 46 4.810 -1.033 9.791 1.00 0.00 C ATOM 708 O ASP A 46 3.864 -1.761 9.482 1.00 0.00 O ATOM 709 CB ASP A 46 4.574 0.217 7.661 1.00 0.00 C ATOM 710 CG ASP A 46 3.529 1.161 8.252 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.402 1.219 9.459 1.00 0.00 O ATOM 712 OD2 ASP A 46 2.849 1.803 7.484 1.00 0.00 O ATOM 0 H ASP A 46 6.268 -1.567 7.244 1.00 0.00 H new ATOM 0 HA ASP A 46 6.079 0.587 9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.119 0.728 6.867 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.076 -0.639 7.206 1.00 0.00 H new ATOM 717 N GLY A 47 5.254 -0.917 11.024 1.00 0.00 N ATOM 718 CA GLY A 47 4.640 -1.653 12.103 1.00 0.00 C ATOM 719 C GLY A 47 3.184 -1.276 12.230 1.00 0.00 C ATOM 720 O GLY A 47 2.309 -2.136 12.154 1.00 0.00 O ATOM 0 H GLY A 47 6.035 -0.322 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.731 -2.724 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.160 -1.444 13.038 1.00 0.00 H new ATOM 724 N GLY A 48 2.918 0.017 12.297 1.00 0.00 N ATOM 725 CA GLY A 48 1.550 0.500 12.393 1.00 0.00 C ATOM 726 C GLY A 48 0.673 -0.211 11.386 1.00 0.00 C ATOM 727 O GLY A 48 -0.326 -0.835 11.749 1.00 0.00 O ATOM 0 H GLY A 48 3.628 0.749 12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.168 0.334 13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.523 1.575 12.215 1.00 0.00 H new ATOM 731 N SER A 49 1.079 -0.186 10.138 1.00 0.00 N ATOM 732 CA SER A 49 0.353 -0.897 9.107 1.00 0.00 C ATOM 733 C SER A 49 0.517 -2.417 9.214 1.00 0.00 C ATOM 734 O SER A 49 -0.413 -3.159 8.913 1.00 0.00 O ATOM 735 CB SER A 49 0.705 -0.380 7.722 1.00 0.00 C ATOM 736 OG SER A 49 0.482 1.033 7.691 1.00 0.00 O ATOM 0 H SER A 49 1.904 0.316 9.811 1.00 0.00 H new ATOM 0 HA SER A 49 -0.706 -0.695 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.746 -0.604 7.488 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.095 -0.876 6.967 1.00 0.00 H new ATOM 0 HG SER A 49 1.336 1.496 7.563 1.00 0.00 H new ATOM 742 N ALA A 50 1.672 -2.880 9.680 1.00 0.00 N ATOM 743 CA ALA A 50 1.895 -4.317 9.841 1.00 0.00 C ATOM 744 C ALA A 50 0.916 -4.869 10.853 1.00 0.00 C ATOM 745 O ALA A 50 0.298 -5.912 10.638 1.00 0.00 O ATOM 746 CB ALA A 50 3.328 -4.609 10.286 1.00 0.00 C ATOM 0 H ALA A 50 2.460 -2.292 9.950 1.00 0.00 H new ATOM 0 HA ALA A 50 1.739 -4.800 8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.462 -5.685 10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.025 -4.231 9.538 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.519 -4.119 11.241 1.00 0.00 H new ATOM 752 N LYS A 51 0.674 -4.083 11.881 1.00 0.00 N ATOM 753 CA LYS A 51 -0.327 -4.410 12.881 1.00 0.00 C ATOM 754 C LYS A 51 -1.698 -4.485 12.230 1.00 0.00 C ATOM 755 O LYS A 51 -2.596 -5.179 12.710 1.00 0.00 O ATOM 756 CB LYS A 51 -0.301 -3.381 14.022 1.00 0.00 C ATOM 757 CG LYS A 51 0.755 -3.807 15.061 1.00 0.00 C ATOM 758 CD LYS A 51 2.164 -3.500 14.533 1.00 0.00 C ATOM 759 CE LYS A 51 3.220 -4.095 15.469 1.00 0.00 C ATOM 760 NZ LYS A 51 3.189 -3.398 16.774 1.00 0.00 N ATOM 0 H LYS A 51 1.162 -3.203 12.049 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.101 -5.385 13.313 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.066 -2.391 13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.283 -3.313 14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.587 -3.280 16.000 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.661 -4.872 15.272 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.282 -3.912 13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.304 -2.422 14.454 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.034 -5.159 15.611 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.209 -4.002 15.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.002 -3.699 17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.235 -2.371 16.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.307 -3.634 17.273 1.00 0.00 H new ATOM 774 N ARG A 52 -1.844 -3.776 11.126 1.00 0.00 N ATOM 775 CA ARG A 52 -3.079 -3.785 10.355 1.00 0.00 C ATOM 776 C ARG A 52 -2.966 -4.764 9.175 1.00 0.00 C ATOM 777 O ARG A 52 -3.779 -4.720 8.244 1.00 0.00 O ATOM 778 CB ARG A 52 -3.380 -2.386 9.807 1.00 0.00 C ATOM 779 CG ARG A 52 -3.643 -1.391 10.943 1.00 0.00 C ATOM 780 CD ARG A 52 -4.017 -0.036 10.325 1.00 0.00 C ATOM 781 NE ARG A 52 -2.888 0.527 9.579 1.00 0.00 N ATOM 782 CZ ARG A 52 -1.988 1.346 10.152 1.00 0.00 C ATOM 783 NH1 ARG A 52 -2.147 1.719 11.396 1.00 0.00 N ATOM 784 NH2 ARG A 52 -0.949 1.765 9.471 1.00 0.00 N ATOM 0 H ARG A 52 -1.114 -3.179 10.737 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.886 -4.099 11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.540 -2.040 9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.248 -2.429 9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.448 -1.751 11.583 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.758 -1.290 11.571 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.872 -0.158 9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.320 0.656 11.111 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.781 0.290 8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.952 1.389 11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.466 2.340 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.821 1.470 8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.269 2.386 9.909 1.00 0.00 H new ATOM 798 N ASP A 53 -1.879 -5.533 9.139 1.00 0.00 N ATOM 799 CA ASP A 53 -1.588 -6.408 7.996 1.00 0.00 C ATOM 800 C ASP A 53 -1.462 -5.578 6.740 1.00 0.00 C ATOM 801 O ASP A 53 -1.887 -5.984 5.650 1.00 0.00 O ATOM 802 CB ASP A 53 -2.668 -7.473 7.808 1.00 0.00 C ATOM 803 CG ASP A 53 -2.462 -8.605 8.775 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.400 -8.340 9.950 1.00 0.00 O ATOM 805 OD2 ASP A 53 -2.375 -9.725 8.341 1.00 0.00 O ATOM 0 H ASP A 53 -1.184 -5.571 9.885 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.648 -6.921 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.653 -7.032 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.642 -7.850 6.786 1.00 0.00 H new ATOM 810 N GLY A 54 -0.940 -4.386 6.913 1.00 0.00 N ATOM 811 CA GLY A 54 -0.769 -3.454 5.819 1.00 0.00 C ATOM 812 C GLY A 54 -2.072 -2.756 5.480 1.00 0.00 C ATOM 813 O GLY A 54 -2.084 -1.815 4.698 1.00 0.00 O ATOM 0 H GLY A 54 -0.621 -4.033 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.015 -2.713 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.399 -3.984 4.941 1.00 0.00 H new ATOM 817 N SER A 55 -3.167 -3.202 6.074 1.00 0.00 N ATOM 818 CA SER A 55 -4.457 -2.611 5.776 1.00 0.00 C ATOM 819 C SER A 55 -4.503 -1.166 6.242 1.00 0.00 C ATOM 820 O SER A 55 -4.198 -0.866 7.400 1.00 0.00 O ATOM 821 CB SER A 55 -5.566 -3.415 6.450 1.00 0.00 C ATOM 822 OG SER A 55 -5.268 -4.806 6.328 1.00 0.00 O ATOM 0 H SER A 55 -3.188 -3.961 6.756 1.00 0.00 H new ATOM 0 HA SER A 55 -4.608 -2.630 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.647 -3.138 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.527 -3.193 5.987 1.00 0.00 H new ATOM 0 HG SER A 55 -4.796 -5.111 7.131 1.00 0.00 H new ATOM 828 N LEU A 56 -4.896 -0.273 5.346 1.00 0.00 N ATOM 829 CA LEU A 56 -5.037 1.131 5.690 1.00 0.00 C ATOM 830 C LEU A 56 -6.506 1.513 5.728 1.00 0.00 C ATOM 831 O LEU A 56 -6.907 2.415 6.462 1.00 0.00 O ATOM 832 CB LEU A 56 -4.287 2.007 4.689 1.00 0.00 C ATOM 833 CG LEU A 56 -2.796 1.628 4.699 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.071 2.389 3.598 1.00 0.00 C ATOM 835 CD2 LEU A 56 -2.172 1.969 6.060 1.00 0.00 C ATOM 0 H LEU A 56 -5.122 -0.497 4.377 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.605 1.292 6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.701 1.874 3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.408 3.059 4.947 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.700 0.556 4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.015 2.121 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.504 2.131 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.174 3.461 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.117 1.696 6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.270 3.038 6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.686 1.415 6.845 1.00 0.00 H new ATOM 847 N GLY A 57 -7.308 0.818 4.932 1.00 0.00 N ATOM 848 CA GLY A 57 -8.733 1.104 4.853 1.00 0.00 C ATOM 849 C GLY A 57 -8.956 2.321 3.977 1.00 0.00 C ATOM 850 O GLY A 57 -8.190 2.555 3.040 1.00 0.00 O ATOM 0 H GLY A 57 -6.996 0.054 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.265 0.245 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.135 1.282 5.850 1.00 0.00 H new ATOM 854 N TYR A 58 -9.977 3.111 4.298 1.00 0.00 N ATOM 855 CA TYR A 58 -10.272 4.327 3.543 1.00 0.00 C ATOM 856 C TYR A 58 -9.408 5.455 4.076 1.00 0.00 C ATOM 857 O TYR A 58 -9.456 5.758 5.278 1.00 0.00 O ATOM 858 CB TYR A 58 -11.720 4.779 3.784 1.00 0.00 C ATOM 859 CG TYR A 58 -12.735 3.769 3.303 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.964 2.592 4.032 1.00 0.00 C ATOM 861 CD2 TYR A 58 -13.459 4.015 2.137 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.912 1.668 3.590 1.00 0.00 C ATOM 863 CE2 TYR A 58 -14.408 3.094 1.701 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.636 1.919 2.425 1.00 0.00 C ATOM 865 OH TYR A 58 -15.577 1.004 1.988 1.00 0.00 O ATOM 0 H TYR A 58 -10.614 2.932 5.075 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.095 4.116 2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.868 4.957 4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.889 5.728 3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.406 2.401 4.937 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.284 4.919 1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -14.085 0.760 4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.971 3.288 0.800 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.781 0.374 2.711 1.00 0.00 H new ATOM 875 N PHE A 59 -8.789 6.196 3.190 1.00 0.00 N ATOM 876 CA PHE A 59 -8.097 7.413 3.583 1.00 0.00 C ATOM 877 C PHE A 59 -8.236 8.460 2.505 1.00 0.00 C ATOM 878 O PHE A 59 -8.350 8.132 1.333 1.00 0.00 O ATOM 879 CB PHE A 59 -6.616 7.132 3.883 1.00 0.00 C ATOM 880 CG PHE A 59 -5.941 6.552 2.664 1.00 0.00 C ATOM 881 CD1 PHE A 59 -5.370 7.397 1.704 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.885 5.163 2.493 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.748 6.851 0.577 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.262 4.617 1.371 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.692 5.461 0.407 1.00 0.00 C ATOM 0 H PHE A 59 -8.746 5.984 2.193 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.555 7.791 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.116 8.054 4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.532 6.438 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.410 8.468 1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.326 4.512 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.309 7.502 -0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.219 3.545 1.245 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.211 5.041 -0.464 1.00 0.00 H new ATOM 895 N GLY A 60 -8.315 9.711 2.907 1.00 0.00 N ATOM 896 CA GLY A 60 -8.510 10.793 1.963 1.00 0.00 C ATOM 897 C GLY A 60 -7.195 11.399 1.535 1.00 0.00 C ATOM 898 O GLY A 60 -6.124 11.006 2.005 1.00 0.00 O ATOM 0 H GLY A 60 -8.247 10.005 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.043 10.422 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.136 11.562 2.414 1.00 0.00 H new ATOM 902 N ARG A 61 -7.290 12.377 0.667 1.00 0.00 N ATOM 903 CA ARG A 61 -6.147 13.073 0.145 1.00 0.00 C ATOM 904 C ARG A 61 -5.543 13.940 1.220 1.00 0.00 C ATOM 905 O ARG A 61 -6.262 14.599 1.983 1.00 0.00 O ATOM 906 CB ARG A 61 -6.615 13.947 -1.003 1.00 0.00 C ATOM 907 CG ARG A 61 -7.039 13.060 -2.176 1.00 0.00 C ATOM 908 CD ARG A 61 -7.878 13.885 -3.141 1.00 0.00 C ATOM 909 NE ARG A 61 -9.218 14.068 -2.574 1.00 0.00 N ATOM 910 CZ ARG A 61 -10.046 15.021 -2.994 1.00 0.00 C ATOM 911 NH1 ARG A 61 -9.649 15.886 -3.889 1.00 0.00 N ATOM 912 NH2 ARG A 61 -11.257 15.082 -2.509 1.00 0.00 N ATOM 0 H ARG A 61 -8.180 12.714 0.300 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.396 12.361 -0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.450 14.570 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.815 14.620 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.161 12.663 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.611 12.206 -1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.408 14.853 -3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.943 13.383 -4.107 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.527 13.442 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.703 15.831 -4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.285 16.616 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.562 14.402 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.897 15.810 -2.826 1.00 0.00 H new ATOM 926 N GLY A 62 -4.240 13.935 1.287 1.00 0.00 N ATOM 927 CA GLY A 62 -3.517 14.692 2.282 1.00 0.00 C ATOM 928 C GLY A 62 -2.982 13.770 3.354 1.00 0.00 C ATOM 929 O GLY A 62 -2.032 14.107 4.063 1.00 0.00 O ATOM 0 H GLY A 62 -3.644 13.405 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.694 15.231 1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.173 15.439 2.729 1.00 0.00 H new ATOM 933 N LYS A 63 -3.610 12.614 3.483 1.00 0.00 N ATOM 934 CA LYS A 63 -3.210 11.623 4.471 1.00 0.00 C ATOM 935 C LYS A 63 -1.846 11.018 4.168 1.00 0.00 C ATOM 936 O LYS A 63 -1.091 10.686 5.094 1.00 0.00 O ATOM 937 CB LYS A 63 -4.264 10.508 4.585 1.00 0.00 C ATOM 938 CG LYS A 63 -5.571 11.065 5.175 1.00 0.00 C ATOM 939 CD LYS A 63 -5.334 11.515 6.627 1.00 0.00 C ATOM 940 CE LYS A 63 -6.633 12.062 7.219 1.00 0.00 C ATOM 941 NZ LYS A 63 -6.388 12.481 8.622 1.00 0.00 N ATOM 0 H LYS A 63 -4.407 12.336 2.910 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.134 12.146 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.455 10.078 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.886 9.704 5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.922 11.905 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.350 10.303 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.977 10.676 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.559 12.281 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.988 12.908 6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.412 11.301 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.268 12.854 9.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.068 11.662 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.656 13.220 8.641 1.00 0.00 H new ATOM 955 N MET A 64 -1.603 10.734 2.905 1.00 0.00 N ATOM 956 CA MET A 64 -0.419 9.964 2.521 1.00 0.00 C ATOM 957 C MET A 64 0.547 10.804 1.712 1.00 0.00 C ATOM 958 O MET A 64 0.173 11.831 1.145 1.00 0.00 O ATOM 959 CB MET A 64 -0.836 8.727 1.711 1.00 0.00 C ATOM 960 CG MET A 64 -2.219 8.245 2.165 1.00 0.00 C ATOM 961 SD MET A 64 -2.168 7.777 3.911 1.00 0.00 S ATOM 962 CE MET A 64 -2.075 5.992 3.646 1.00 0.00 C ATOM 0 H MET A 64 -2.198 11.018 2.127 1.00 0.00 H new ATOM 0 HA MET A 64 0.087 9.649 3.434 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.857 8.968 0.648 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.103 7.931 1.843 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.956 9.033 2.013 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.533 7.394 1.561 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.247 5.475 4.590 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.834 5.691 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.088 5.732 3.264 1.00 0.00 H new ATOM 972 N VAL A 65 1.789 10.364 1.649 1.00 0.00 N ATOM 973 CA VAL A 65 2.781 11.065 0.862 1.00 0.00 C ATOM 974 C VAL A 65 2.380 11.019 -0.607 1.00 0.00 C ATOM 975 O VAL A 65 1.763 10.044 -1.062 1.00 0.00 O ATOM 976 CB VAL A 65 4.182 10.465 1.081 1.00 0.00 C ATOM 977 CG1 VAL A 65 4.548 10.558 2.567 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.201 8.992 0.649 1.00 0.00 C ATOM 0 H VAL A 65 2.132 9.532 2.129 1.00 0.00 H new ATOM 0 HA VAL A 65 2.826 12.106 1.182 1.00 0.00 H new ATOM 0 HB VAL A 65 4.903 11.023 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.540 10.134 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.547 11.603 2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.818 10.003 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.197 8.579 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.476 8.431 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.943 8.919 -0.408 1.00 0.00 H new ATOM 988 N LYS A 66 2.630 12.107 -1.311 1.00 0.00 N ATOM 989 CA LYS A 66 2.160 12.261 -2.682 1.00 0.00 C ATOM 990 C LYS A 66 2.364 10.991 -3.502 1.00 0.00 C ATOM 991 O LYS A 66 1.419 10.505 -4.136 1.00 0.00 O ATOM 992 CB LYS A 66 2.854 13.453 -3.359 1.00 0.00 C ATOM 993 CG LYS A 66 1.936 14.026 -4.437 1.00 0.00 C ATOM 994 CD LYS A 66 2.736 14.317 -5.714 1.00 0.00 C ATOM 995 CE LYS A 66 1.785 14.770 -6.835 1.00 0.00 C ATOM 996 NZ LYS A 66 0.405 14.280 -6.554 1.00 0.00 N ATOM 0 H LYS A 66 3.159 12.904 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 66 1.088 12.453 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.089 14.219 -2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.799 13.136 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.134 13.321 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.467 14.941 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.479 15.091 -5.520 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.279 13.425 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.787 15.857 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.129 14.385 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.196 14.439 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.435 13.263 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.012 14.796 -5.741 1.00 0.00 H new ATOM 1010 N PRO A 67 3.549 10.423 -3.494 1.00 0.00 N ATOM 1011 CA PRO A 67 3.785 9.179 -4.283 1.00 0.00 C ATOM 1012 C PRO A 67 2.768 8.116 -3.911 1.00 0.00 C ATOM 1013 O PRO A 67 2.223 7.423 -4.778 1.00 0.00 O ATOM 1014 CB PRO A 67 5.182 8.726 -3.836 1.00 0.00 C ATOM 1015 CG PRO A 67 5.849 9.969 -3.378 1.00 0.00 C ATOM 1016 CD PRO A 67 4.756 10.803 -2.724 1.00 0.00 C ATOM 0 HA PRO A 67 3.703 9.342 -5.358 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.122 7.990 -3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.729 8.261 -4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.649 9.747 -2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.301 10.502 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.650 10.571 -1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.963 11.871 -2.797 1.00 0.00 H new ATOM 1024 N PHE A 68 2.512 8.008 -2.618 1.00 0.00 N ATOM 1025 CA PHE A 68 1.565 7.041 -2.110 1.00 0.00 C ATOM 1026 C PHE A 68 0.176 7.325 -2.650 1.00 0.00 C ATOM 1027 O PHE A 68 -0.504 6.426 -3.144 1.00 0.00 O ATOM 1028 CB PHE A 68 1.544 7.067 -0.580 1.00 0.00 C ATOM 1029 CG PHE A 68 0.769 5.883 -0.066 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.618 5.957 0.084 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.446 4.709 0.265 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.321 4.851 0.564 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.744 3.607 0.745 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.641 3.677 0.892 1.00 0.00 C ATOM 0 H PHE A 68 2.952 8.584 -1.900 1.00 0.00 H new ATOM 0 HA PHE A 68 1.876 6.050 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.562 7.044 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.089 7.993 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.144 6.866 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.518 4.655 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.393 4.904 0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.271 2.700 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.188 2.822 1.260 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.243 8.591 -2.571 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.569 8.963 -3.046 1.00 0.00 C ATOM 1046 C GLU A 69 -1.673 8.765 -4.545 1.00 0.00 C ATOM 1047 O GLU A 69 -2.642 8.174 -5.038 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.912 10.419 -2.689 1.00 0.00 C ATOM 1049 CG GLU A 69 -2.123 10.556 -1.173 1.00 0.00 C ATOM 1050 CD GLU A 69 -2.475 11.990 -0.792 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -2.526 12.835 -1.664 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -2.699 12.226 0.373 1.00 0.00 O ATOM 0 H GLU A 69 0.308 9.360 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.287 8.312 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.108 11.080 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.813 10.729 -3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.920 9.886 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.218 10.249 -0.648 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.637 9.165 -5.264 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.637 8.982 -6.700 1.00 0.00 C ATOM 1061 C ASP A 70 -0.738 7.521 -7.038 1.00 0.00 C ATOM 1062 O ASP A 70 -1.505 7.139 -7.921 1.00 0.00 O ATOM 1063 CB ASP A 70 0.615 9.594 -7.338 1.00 0.00 C ATOM 1064 CG ASP A 70 0.388 11.060 -7.614 1.00 0.00 C ATOM 1065 OD1 ASP A 70 0.508 11.848 -6.705 1.00 0.00 O ATOM 1066 OD2 ASP A 70 0.088 11.380 -8.741 1.00 0.00 O ATOM 0 H ASP A 70 0.198 9.610 -4.883 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.506 9.499 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.470 9.468 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.852 9.073 -8.266 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.032 6.699 -6.290 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.129 5.262 -6.464 1.00 0.00 C ATOM 1073 C ALA A 71 -1.524 4.780 -6.079 1.00 0.00 C ATOM 1074 O ALA A 71 -2.113 3.938 -6.756 1.00 0.00 O ATOM 1075 CB ALA A 71 0.919 4.552 -5.605 1.00 0.00 C ATOM 0 H ALA A 71 0.613 6.998 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 71 0.054 5.026 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.835 3.474 -5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.915 4.880 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.754 4.795 -4.555 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.043 5.324 -4.984 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.347 4.930 -4.463 1.00 0.00 C ATOM 1083 C ALA A 72 -4.450 5.196 -5.472 1.00 0.00 C ATOM 1084 O ALA A 72 -5.354 4.376 -5.656 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.640 5.689 -3.165 1.00 0.00 C ATOM 0 H ALA A 72 -1.576 6.046 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.320 3.859 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.615 5.390 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.873 5.457 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.641 6.761 -3.363 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.392 6.345 -6.114 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.397 6.704 -7.108 1.00 0.00 C ATOM 1093 C PHE A 73 -5.334 5.809 -8.338 1.00 0.00 C ATOM 1094 O PHE A 73 -6.356 5.529 -8.964 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.329 8.187 -7.480 1.00 0.00 C ATOM 1096 CG PHE A 73 -5.988 8.988 -6.380 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -7.384 9.049 -6.307 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -5.212 9.652 -5.423 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -8.005 9.778 -5.288 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -5.835 10.377 -4.402 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.230 10.438 -4.333 1.00 0.00 C ATOM 0 H PHE A 73 -3.666 7.047 -5.970 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.369 6.535 -6.645 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.292 8.499 -7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.833 8.363 -8.430 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.984 8.531 -7.040 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.134 9.605 -5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.083 9.830 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -5.237 10.891 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.708 10.996 -3.541 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.139 5.386 -8.701 1.00 0.00 N ATOM 1112 CA ARG A 74 -3.958 4.514 -9.864 1.00 0.00 C ATOM 1113 C ARG A 74 -4.656 3.173 -9.679 1.00 0.00 C ATOM 1114 O ARG A 74 -4.968 2.493 -10.661 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.481 4.245 -10.123 1.00 0.00 C ATOM 1116 CG ARG A 74 -1.780 5.490 -10.665 1.00 0.00 C ATOM 1117 CD ARG A 74 -0.300 5.150 -10.816 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.152 4.021 -11.738 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.727 3.035 -11.533 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.532 3.073 -10.502 1.00 0.00 N ATOM 1121 NH2 ARG A 74 0.784 2.046 -12.368 1.00 0.00 N ATOM 0 H ARG A 74 -3.276 5.627 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.399 5.039 -10.711 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.999 3.926 -9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.377 3.427 -10.835 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.206 5.784 -11.624 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.913 6.332 -9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.247 6.015 -11.192 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.128 4.900 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.743 3.986 -12.569 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.490 3.857 -9.851 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.201 2.318 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.161 2.023 -13.175 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.452 1.290 -12.218 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.687 2.694 -8.447 1.00 0.00 N ATOM 1136 CA LEU A 75 -5.092 1.315 -8.191 1.00 0.00 C ATOM 1137 C LEU A 75 -6.568 1.165 -7.976 1.00 0.00 C ATOM 1138 O LEU A 75 -7.013 0.146 -7.460 1.00 0.00 O ATOM 1139 CB LEU A 75 -4.343 0.709 -7.011 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.839 0.789 -7.243 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -2.123 0.149 -6.062 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -2.462 0.062 -8.539 1.00 0.00 C ATOM 0 H LEU A 75 -4.440 3.229 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.829 0.770 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.605 1.238 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.642 -0.330 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.541 1.833 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.045 0.201 -6.218 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.383 0.681 -5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.427 -0.894 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.385 0.127 -8.692 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.756 -0.985 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.977 0.527 -9.380 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.337 2.140 -8.400 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.781 2.041 -8.283 1.00 0.00 C ATOM 1156 C GLN A 76 -9.272 0.816 -9.052 1.00 0.00 C ATOM 1157 O GLN A 76 -10.274 0.204 -8.689 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.442 3.326 -8.758 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.946 4.476 -7.861 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.376 4.250 -6.414 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.539 3.950 -6.149 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -8.501 4.354 -5.461 1.00 0.00 N ATOM 0 H GLN A 76 -6.997 3.003 -8.825 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.059 1.912 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.191 3.521 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.527 3.240 -8.702 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.860 4.546 -7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.345 5.424 -8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.536 4.603 -5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.778 4.187 -4.494 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.457 0.384 -10.007 1.00 0.00 N ATOM 1172 CA VAL A 77 -8.685 -0.852 -10.738 1.00 0.00 C ATOM 1173 C VAL A 77 -8.646 -2.061 -9.778 1.00 0.00 C ATOM 1174 O VAL A 77 -9.257 -3.101 -10.039 1.00 0.00 O ATOM 1175 CB VAL A 77 -7.629 -0.997 -11.856 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -6.233 -1.195 -11.256 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -7.971 -2.174 -12.776 1.00 0.00 C ATOM 0 H VAL A 77 -7.617 0.885 -10.296 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.674 -0.822 -11.196 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.634 -0.079 -12.444 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.503 -1.295 -12.059 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.977 -0.334 -10.638 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.225 -2.097 -10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.214 -2.258 -13.556 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.996 -3.095 -12.194 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.946 -2.007 -13.233 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.925 -1.910 -8.667 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.816 -2.960 -7.650 1.00 0.00 C ATOM 1189 C GLY A 78 -6.530 -3.763 -7.798 1.00 0.00 C ATOM 1190 O GLY A 78 -6.489 -4.949 -7.459 1.00 0.00 O ATOM 0 H GLY A 78 -7.402 -1.062 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.851 -2.510 -6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.673 -3.629 -7.726 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.487 -3.127 -8.312 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.224 -3.814 -8.566 1.00 0.00 C ATOM 1196 C GLU A 79 -3.191 -3.506 -7.480 1.00 0.00 C ATOM 1197 O GLU A 79 -3.262 -2.463 -6.834 1.00 0.00 O ATOM 1198 CB GLU A 79 -3.676 -3.384 -9.934 1.00 0.00 C ATOM 1199 CG GLU A 79 -2.501 -4.279 -10.345 1.00 0.00 C ATOM 1200 CD GLU A 79 -1.971 -3.850 -11.693 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -1.651 -2.694 -11.838 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -1.880 -4.680 -12.565 1.00 0.00 O ATOM 0 H GLU A 79 -5.488 -2.138 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.412 -4.888 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.465 -3.442 -10.684 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.352 -2.344 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.709 -4.219 -9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.823 -5.320 -10.386 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.177 -4.368 -7.362 1.00 0.00 N ATOM 1210 CA VAL A 80 -1.043 -4.099 -6.481 1.00 0.00 C ATOM 1211 C VAL A 80 -0.128 -3.084 -7.169 1.00 0.00 C ATOM 1212 O VAL A 80 0.213 -3.254 -8.347 1.00 0.00 O ATOM 1213 CB VAL A 80 -0.246 -5.391 -6.196 1.00 0.00 C ATOM 1214 CG1 VAL A 80 0.798 -5.127 -5.104 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -1.184 -6.506 -5.726 1.00 0.00 C ATOM 0 H VAL A 80 -2.120 -5.254 -7.864 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.412 -3.709 -5.533 1.00 0.00 H new ATOM 0 HB VAL A 80 0.248 -5.700 -7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.357 -6.041 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.483 -4.347 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.297 -4.805 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.606 -7.409 -5.530 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.691 -6.194 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.924 -6.710 -6.500 1.00 0.00 H new ATOM 1225 N SER A 81 0.260 -2.046 -6.461 1.00 0.00 N ATOM 1226 CA SER A 81 1.098 -1.015 -7.048 1.00 0.00 C ATOM 1227 C SER A 81 2.486 -1.540 -7.304 1.00 0.00 C ATOM 1228 O SER A 81 2.987 -2.387 -6.552 1.00 0.00 O ATOM 1229 CB SER A 81 1.205 0.195 -6.105 1.00 0.00 C ATOM 1230 OG SER A 81 1.599 -0.246 -4.804 1.00 0.00 O ATOM 0 H SER A 81 0.012 -1.891 -5.484 1.00 0.00 H new ATOM 0 HA SER A 81 0.638 -0.713 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.931 0.909 -6.494 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.247 0.712 -6.050 1.00 0.00 H new ATOM 0 HG SER A 81 1.973 0.508 -4.302 1.00 0.00 H new ATOM 1236 N GLU A 82 3.178 -0.892 -8.219 1.00 0.00 N ATOM 1237 CA GLU A 82 4.589 -1.115 -8.367 1.00 0.00 C ATOM 1238 C GLU A 82 5.259 -0.448 -7.188 1.00 0.00 C ATOM 1239 O GLU A 82 4.601 0.310 -6.461 1.00 0.00 O ATOM 1240 CB GLU A 82 5.089 -0.514 -9.683 1.00 0.00 C ATOM 1241 CG GLU A 82 4.095 -0.862 -10.805 1.00 0.00 C ATOM 1242 CD GLU A 82 3.021 0.203 -10.951 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.897 1.033 -10.069 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.336 0.184 -11.941 1.00 0.00 O ATOM 0 H GLU A 82 2.782 -0.210 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 82 4.818 -2.180 -8.392 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.187 0.568 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.078 -0.904 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.632 -0.969 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.628 -1.824 -10.593 1.00 0.00 H new ATOM 1251 N PRO A 83 6.506 -0.687 -6.963 1.00 0.00 N ATOM 1252 CA PRO A 83 7.170 -0.089 -5.779 1.00 0.00 C ATOM 1253 C PRO A 83 6.976 1.421 -5.771 1.00 0.00 C ATOM 1254 O PRO A 83 7.181 2.082 -6.795 1.00 0.00 O ATOM 1255 CB PRO A 83 8.646 -0.438 -5.999 1.00 0.00 C ATOM 1256 CG PRO A 83 8.625 -1.712 -6.784 1.00 0.00 C ATOM 1257 CD PRO A 83 7.358 -1.677 -7.644 1.00 0.00 C ATOM 0 HA PRO A 83 6.777 -0.455 -4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.163 0.353 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.168 -0.566 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.514 -1.797 -7.408 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.618 -2.576 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.577 -1.380 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.878 -2.655 -7.691 1.00 0.00 H new ATOM 1265 N VAL A 84 6.565 1.949 -4.633 1.00 0.00 N ATOM 1266 CA VAL A 84 6.320 3.375 -4.488 1.00 0.00 C ATOM 1267 C VAL A 84 7.436 3.982 -3.662 1.00 0.00 C ATOM 1268 O VAL A 84 7.525 3.725 -2.460 1.00 0.00 O ATOM 1269 CB VAL A 84 4.966 3.595 -3.787 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.637 5.091 -3.697 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.852 2.869 -4.552 1.00 0.00 C ATOM 0 H VAL A 84 6.392 1.407 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 84 6.292 3.851 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 84 5.036 3.190 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.677 5.223 -3.199 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.414 5.601 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.586 5.513 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.899 3.031 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.796 3.258 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.069 1.801 -4.584 1.00 0.00 H new ATOM 1281 N LYS A 85 8.295 4.753 -4.304 1.00 0.00 N ATOM 1282 CA LYS A 85 9.416 5.369 -3.623 1.00 0.00 C ATOM 1283 C LYS A 85 8.926 6.597 -2.879 1.00 0.00 C ATOM 1284 O LYS A 85 8.087 7.353 -3.399 1.00 0.00 O ATOM 1285 CB LYS A 85 10.517 5.733 -4.637 1.00 0.00 C ATOM 1286 CG LYS A 85 11.802 6.185 -3.913 1.00 0.00 C ATOM 1287 CD LYS A 85 12.342 5.031 -3.047 1.00 0.00 C ATOM 1288 CE LYS A 85 13.844 5.219 -2.778 1.00 0.00 C ATOM 1289 NZ LYS A 85 14.625 4.760 -3.964 1.00 0.00 N ATOM 0 H LYS A 85 8.236 4.967 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 85 9.846 4.670 -2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.734 4.872 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.165 6.529 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.554 6.489 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.593 7.054 -3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.799 4.992 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.173 4.080 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.059 6.268 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.139 4.654 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.624 5.026 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.550 3.726 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.247 5.208 -4.823 1.00 0.00 H new ATOM 1303 N SER A 86 9.303 6.708 -1.630 1.00 0.00 N ATOM 1304 CA SER A 86 8.767 7.737 -0.772 1.00 0.00 C ATOM 1305 C SER A 86 9.762 8.118 0.289 1.00 0.00 C ATOM 1306 O SER A 86 10.777 7.440 0.480 1.00 0.00 O ATOM 1307 CB SER A 86 7.505 7.218 -0.091 1.00 0.00 C ATOM 1308 OG SER A 86 7.890 6.435 1.039 1.00 0.00 O ATOM 0 H SER A 86 9.983 6.095 -1.182 1.00 0.00 H new ATOM 0 HA SER A 86 8.542 8.612 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.874 8.050 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.919 6.617 -0.786 1.00 0.00 H new ATOM 0 HG SER A 86 7.118 5.924 1.361 1.00 0.00 H new ATOM 1314 N GLU A 87 9.407 9.124 1.048 1.00 0.00 N ATOM 1315 CA GLU A 87 10.197 9.539 2.185 1.00 0.00 C ATOM 1316 C GLU A 87 10.405 8.334 3.104 1.00 0.00 C ATOM 1317 O GLU A 87 11.474 8.165 3.696 1.00 0.00 O ATOM 1318 CB GLU A 87 9.474 10.664 2.968 1.00 0.00 C ATOM 1319 CG GLU A 87 8.161 11.090 2.263 1.00 0.00 C ATOM 1320 CD GLU A 87 8.461 11.697 0.904 1.00 0.00 C ATOM 1321 OE1 GLU A 87 8.999 12.778 0.868 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.153 11.071 -0.087 1.00 0.00 O ATOM 0 H GLU A 87 8.564 9.679 0.898 1.00 0.00 H new ATOM 0 HA GLU A 87 11.156 9.921 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.251 10.321 3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.134 11.526 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.507 10.226 2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.627 11.812 2.881 1.00 0.00 H new ATOM 1329 N PHE A 88 9.372 7.503 3.204 1.00 0.00 N ATOM 1330 CA PHE A 88 9.423 6.279 4.001 1.00 0.00 C ATOM 1331 C PHE A 88 10.362 5.250 3.389 1.00 0.00 C ATOM 1332 O PHE A 88 11.064 4.527 4.104 1.00 0.00 O ATOM 1333 CB PHE A 88 8.021 5.670 4.121 1.00 0.00 C ATOM 1334 CG PHE A 88 7.186 6.487 5.074 1.00 0.00 C ATOM 1335 CD1 PHE A 88 7.226 6.218 6.447 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.373 7.518 4.588 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.459 6.976 7.334 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.604 8.275 5.477 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.646 8.005 6.850 1.00 0.00 C ATOM 0 H PHE A 88 8.478 7.657 2.737 1.00 0.00 H new ATOM 0 HA PHE A 88 9.800 6.547 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.544 5.638 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 88 8.091 4.642 4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.852 5.422 6.822 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.340 7.728 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.494 6.767 8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.976 9.070 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.051 8.591 7.535 1.00 0.00 H new ATOM 1349 N GLY A 89 10.308 5.123 2.074 1.00 0.00 N ATOM 1350 CA GLY A 89 11.078 4.100 1.365 1.00 0.00 C ATOM 1351 C GLY A 89 10.276 3.578 0.198 1.00 0.00 C ATOM 1352 O GLY A 89 9.794 4.361 -0.613 1.00 0.00 O ATOM 0 H GLY A 89 9.739 5.715 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.020 4.519 1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.326 3.283 2.043 1.00 0.00 H new ATOM 1356 N TYR A 90 10.088 2.266 0.132 1.00 0.00 N ATOM 1357 CA TYR A 90 9.284 1.679 -0.924 1.00 0.00 C ATOM 1358 C TYR A 90 7.985 1.143 -0.355 1.00 0.00 C ATOM 1359 O TYR A 90 8.010 0.285 0.527 1.00 0.00 O ATOM 1360 CB TYR A 90 10.033 0.521 -1.596 1.00 0.00 C ATOM 1361 CG TYR A 90 11.246 1.025 -2.334 1.00 0.00 C ATOM 1362 CD1 TYR A 90 12.469 1.127 -1.673 1.00 0.00 C ATOM 1363 CD2 TYR A 90 11.147 1.381 -3.688 1.00 0.00 C ATOM 1364 CE1 TYR A 90 13.597 1.582 -2.358 1.00 0.00 C ATOM 1365 CE2 TYR A 90 12.273 1.838 -4.373 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.499 1.938 -3.707 1.00 0.00 C ATOM 1367 OH TYR A 90 14.613 2.389 -4.383 1.00 0.00 O ATOM 0 H TYR A 90 10.479 1.595 0.793 1.00 0.00 H new ATOM 0 HA TYR A 90 9.079 2.457 -1.659 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.336 -0.207 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.368 0.005 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 90 12.544 0.854 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 90 10.199 1.301 -4.200 1.00 0.00 H new ATOM 0 HE1 TYR A 90 14.545 1.659 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.198 2.114 -5.415 1.00 0.00 H new ATOM 0 HH TYR A 90 15.196 1.631 -4.595 1.00 0.00 H new ATOM 1377 N HIS A 91 6.866 1.532 -0.947 1.00 0.00 N ATOM 1378 CA HIS A 91 5.584 0.955 -0.564 1.00 0.00 C ATOM 1379 C HIS A 91 5.082 0.046 -1.659 1.00 0.00 C ATOM 1380 O HIS A 91 5.164 0.393 -2.850 1.00 0.00 O ATOM 1381 CB HIS A 91 4.491 2.018 -0.318 1.00 0.00 C ATOM 1382 CG HIS A 91 4.964 3.125 0.577 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.280 3.474 1.725 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.002 4.004 0.484 1.00 0.00 C ATOM 1385 CE1 HIS A 91 4.907 4.520 2.274 1.00 0.00 C ATOM 1386 NE2 HIS A 91 5.961 4.883 1.557 1.00 0.00 N ATOM 0 H HIS A 91 6.817 2.235 -1.685 1.00 0.00 H new ATOM 0 HA HIS A 91 5.764 0.415 0.365 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.173 2.437 -1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.618 1.542 0.128 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.445 3.015 2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.742 4.015 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.594 5.007 3.186 1.00 0.00 H new ATOM 1394 N VAL A 92 4.397 -0.997 -1.254 1.00 0.00 N ATOM 1395 CA VAL A 92 3.638 -1.824 -2.166 1.00 0.00 C ATOM 1396 C VAL A 92 2.186 -1.688 -1.737 1.00 0.00 C ATOM 1397 O VAL A 92 1.893 -1.788 -0.544 1.00 0.00 O ATOM 1398 CB VAL A 92 4.099 -3.285 -2.053 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.178 -4.199 -2.870 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.531 -3.416 -2.567 1.00 0.00 C ATOM 0 H VAL A 92 4.349 -1.298 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 92 3.775 -1.519 -3.203 1.00 0.00 H new ATOM 0 HB VAL A 92 4.058 -3.584 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.517 -5.231 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.158 -4.118 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.203 -3.898 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.854 -4.454 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.573 -3.105 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.190 -2.783 -1.973 1.00 0.00 H new ATOM 1410 N ILE A 93 1.315 -1.309 -2.658 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.052 -0.979 -2.299 1.00 0.00 C ATOM 1412 C ILE A 93 -1.046 -1.881 -2.994 1.00 0.00 C ATOM 1413 O ILE A 93 -1.099 -1.930 -4.215 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.351 0.489 -2.658 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.595 1.414 -1.889 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.801 0.840 -2.290 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.447 2.839 -2.421 1.00 0.00 C ATOM 0 H ILE A 93 1.529 -1.223 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.155 -1.126 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.207 0.621 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.365 1.385 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.625 1.076 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.000 1.880 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.483 0.192 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -1.949 0.697 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.119 3.502 -1.876 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.698 2.859 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.582 3.173 -2.285 1.00 0.00 H new ATOM 1429 N LYS A 94 -1.941 -2.442 -2.220 1.00 0.00 N ATOM 1430 CA LYS A 94 -3.080 -3.147 -2.761 1.00 0.00 C ATOM 1431 C LYS A 94 -4.329 -2.359 -2.425 1.00 0.00 C ATOM 1432 O LYS A 94 -4.530 -1.974 -1.266 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.179 -4.566 -2.175 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.502 -5.233 -2.609 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.457 -5.598 -4.100 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.804 -6.218 -4.517 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.741 -6.630 -5.946 1.00 0.00 N ATOM 0 H LYS A 94 -1.903 -2.424 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.969 -3.242 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.334 -5.166 -2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.125 -4.522 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.676 -6.130 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.336 -4.557 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.253 -4.709 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.646 -6.302 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.030 -7.080 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.609 -5.498 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.365 -7.448 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.050 -5.841 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.764 -6.889 -6.190 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.179 -2.128 -3.410 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.416 -1.430 -3.149 1.00 0.00 C ATOM 1453 C ARG A 95 -7.398 -2.393 -2.512 1.00 0.00 C ATOM 1454 O ARG A 95 -7.484 -3.559 -2.909 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.005 -0.825 -4.418 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.256 -0.017 -4.047 1.00 0.00 C ATOM 1457 CD ARG A 95 -8.874 0.577 -5.305 1.00 0.00 C ATOM 1458 NE ARG A 95 -9.996 1.452 -4.967 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.232 0.978 -4.820 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -11.457 -0.305 -4.948 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.214 1.792 -4.543 1.00 0.00 N ATOM 0 H ARG A 95 -5.036 -2.409 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.212 -0.603 -2.469 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.272 -0.182 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.261 -1.612 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.979 -0.658 -3.543 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.994 0.778 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.120 1.140 -5.855 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.216 -0.224 -5.961 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.828 2.450 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.687 -0.939 -5.160 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.403 -0.671 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.035 2.791 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.161 1.429 -4.430 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.060 -1.930 -1.488 1.00 0.00 N ATOM 1476 CA LEU A 96 -8.934 -2.747 -0.685 1.00 0.00 C ATOM 1477 C LEU A 96 -10.382 -2.396 -0.967 1.00 0.00 C ATOM 1478 O LEU A 96 -10.728 -1.235 -1.072 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.587 -2.508 0.791 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.554 -3.244 1.711 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.388 -4.755 1.535 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.244 -2.858 3.163 1.00 0.00 C ATOM 0 H LEU A 96 -8.008 -0.959 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.799 -3.801 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.568 -2.843 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.618 -1.440 1.006 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.579 -2.970 1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.081 -5.277 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.598 -5.026 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.366 -5.040 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.929 -3.378 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.219 -3.139 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.363 -1.782 3.287 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.208 -3.402 -1.175 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.605 -3.171 -1.509 1.00 0.00 C ATOM 1496 C GLY A 97 -13.526 -3.673 -0.405 1.00 0.00 C ATOM 1497 O GLY A 97 -14.406 -2.938 -0.019 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.338 -4.779 0.043 1.00 0.00 O ATOM 0 H GLY A 97 -10.940 -4.385 -1.120 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.772 -2.106 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.846 -3.676 -2.445 1.00 0.00 H new TER 1502 GLY A 97