USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 828 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 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= -2.61 (180deg=-4.76!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.25 K(o=-1.3,f=-4!) USER MOD Single : A 38 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.4!) USER MOD Single : A 44 TYR OH : rot 41:sc= 0.22 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -3.26! C(o=-4.7!,f=-3.3!) USER MOD Single : A 54 CYS SG : rot 180:sc= -4.34! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.86 K(o=-0.86,f=-1.8) USER MOD Single : A 68 SER OG : rot 180:sc= -0.137 USER MOD Single : A 70 ASN : amide:sc= -3.15 K(o=-3.1,f=-6.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -157:sc= -1.94 (180deg=-3.45!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.343 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.29 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.148 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.832 5.914 -12.580 1.00 0.00 N ATOM 2 CA GLY A 1 -11.893 6.693 -13.366 1.00 0.00 C ATOM 3 C GLY A 1 -12.583 7.571 -14.391 1.00 0.00 C ATOM 4 O GLY A 1 -13.091 8.642 -14.060 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.311 5.331 -11.894 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.475 6.555 -12.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.384 5.297 -13.210 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.297 7.317 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.203 6.019 -13.875 1.00 0.00 H new ATOM 8 N SER A 2 -12.601 7.117 -15.640 1.00 0.00 N ATOM 9 CA SER A 2 -13.230 7.871 -16.719 1.00 0.00 C ATOM 10 C SER A 2 -12.541 9.219 -16.912 1.00 0.00 C ATOM 11 O SER A 2 -11.799 9.679 -16.044 1.00 0.00 O ATOM 12 CB SER A 2 -14.716 8.083 -16.423 1.00 0.00 C ATOM 13 OG SER A 2 -15.437 6.868 -16.541 1.00 0.00 O ATOM 0 H SER A 2 -12.187 6.231 -15.930 1.00 0.00 H new ATOM 0 HA SER A 2 -13.129 7.295 -17.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.836 8.485 -15.417 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.126 8.821 -17.112 1.00 0.00 H new ATOM 0 HG SER A 2 -16.384 7.029 -16.345 1.00 0.00 H new ATOM 19 N SER A 3 -12.795 9.848 -18.055 1.00 0.00 N ATOM 20 CA SER A 3 -12.197 11.141 -18.365 1.00 0.00 C ATOM 21 C SER A 3 -10.732 11.178 -17.941 1.00 0.00 C ATOM 22 O SER A 3 -10.408 11.571 -16.821 1.00 0.00 O ATOM 23 CB SER A 3 -12.970 12.263 -17.670 1.00 0.00 C ATOM 24 OG SER A 3 -13.914 12.852 -18.547 1.00 0.00 O ATOM 0 H SER A 3 -13.411 9.483 -18.782 1.00 0.00 H new ATOM 0 HA SER A 3 -12.248 11.288 -19.444 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.482 11.867 -16.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.274 13.023 -17.316 1.00 0.00 H new ATOM 0 HG SER A 3 -14.396 13.565 -18.078 1.00 0.00 H new ATOM 30 N GLY A 4 -9.849 10.766 -18.846 1.00 0.00 N ATOM 31 CA GLY A 4 -8.429 10.759 -18.548 1.00 0.00 C ATOM 32 C GLY A 4 -7.580 11.065 -19.766 1.00 0.00 C ATOM 33 O GLY A 4 -7.751 12.103 -20.405 1.00 0.00 O ATOM 0 H GLY A 4 -10.092 10.437 -19.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.221 11.493 -17.770 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.149 9.784 -18.149 1.00 0.00 H new ATOM 37 N SER A 5 -6.660 10.161 -20.087 1.00 0.00 N ATOM 38 CA SER A 5 -5.777 10.342 -21.233 1.00 0.00 C ATOM 39 C SER A 5 -4.948 11.614 -21.084 1.00 0.00 C ATOM 40 O SER A 5 -5.476 12.724 -21.158 1.00 0.00 O ATOM 41 CB SER A 5 -6.591 10.398 -22.527 1.00 0.00 C ATOM 42 OG SER A 5 -5.763 10.196 -23.659 1.00 0.00 O ATOM 0 H SER A 5 -6.507 9.296 -19.569 1.00 0.00 H new ATOM 0 HA SER A 5 -5.098 9.490 -21.276 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.371 9.637 -22.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.090 11.364 -22.605 1.00 0.00 H new ATOM 0 HG SER A 5 -6.307 10.235 -24.473 1.00 0.00 H new ATOM 48 N SER A 6 -3.647 11.444 -20.873 1.00 0.00 N ATOM 49 CA SER A 6 -2.744 12.577 -20.710 1.00 0.00 C ATOM 50 C SER A 6 -3.209 13.482 -19.573 1.00 0.00 C ATOM 51 O SER A 6 -3.864 14.499 -19.802 1.00 0.00 O ATOM 52 CB SER A 6 -2.656 13.378 -22.011 1.00 0.00 C ATOM 53 OG SER A 6 -2.087 12.601 -23.050 1.00 0.00 O ATOM 0 H SER A 6 -3.194 10.532 -20.811 1.00 0.00 H new ATOM 0 HA SER A 6 -1.756 12.190 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.651 13.711 -22.305 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.055 14.273 -21.851 1.00 0.00 H new ATOM 0 HG SER A 6 -2.043 13.134 -23.871 1.00 0.00 H new ATOM 59 N GLY A 7 -2.865 13.105 -18.346 1.00 0.00 N ATOM 60 CA GLY A 7 -3.254 13.892 -17.191 1.00 0.00 C ATOM 61 C GLY A 7 -2.911 13.210 -15.881 1.00 0.00 C ATOM 62 O GLY A 7 -3.777 12.622 -15.234 1.00 0.00 O ATOM 0 H GLY A 7 -2.323 12.268 -18.131 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.758 14.862 -17.233 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.327 14.081 -17.229 1.00 0.00 H new ATOM 66 N SER A 8 -1.643 13.286 -15.491 1.00 0.00 N ATOM 67 CA SER A 8 -1.185 12.666 -14.253 1.00 0.00 C ATOM 68 C SER A 8 -0.782 13.725 -13.232 1.00 0.00 C ATOM 69 O SER A 8 0.318 14.277 -13.274 1.00 0.00 O ATOM 70 CB SER A 8 -0.006 11.733 -14.531 1.00 0.00 C ATOM 71 OG SER A 8 -0.441 10.523 -15.125 1.00 0.00 O ATOM 0 H SER A 8 -0.914 13.771 -16.014 1.00 0.00 H new ATOM 0 HA SER A 8 -2.009 12.084 -13.840 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.707 12.229 -15.190 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.518 11.517 -13.600 1.00 0.00 H new ATOM 0 HG SER A 8 0.332 9.945 -15.294 1.00 0.00 H new ATOM 77 N PRO A 9 -1.692 14.017 -12.291 1.00 0.00 N ATOM 78 CA PRO A 9 -1.455 15.011 -11.241 1.00 0.00 C ATOM 79 C PRO A 9 -0.413 14.547 -10.228 1.00 0.00 C ATOM 80 O PRO A 9 0.546 15.262 -9.936 1.00 0.00 O ATOM 81 CB PRO A 9 -2.824 15.155 -10.572 1.00 0.00 C ATOM 82 CG PRO A 9 -3.512 13.861 -10.836 1.00 0.00 C ATOM 83 CD PRO A 9 -3.024 13.398 -12.181 1.00 0.00 C ATOM 0 HA PRO A 9 -1.063 15.944 -11.645 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.725 15.340 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.383 15.993 -10.989 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.277 13.129 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.595 13.988 -10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.968 12.311 -12.236 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.686 13.724 -12.983 1.00 0.00 H new ATOM 91 N LEU A 10 -0.608 13.346 -9.695 1.00 0.00 N ATOM 92 CA LEU A 10 0.315 12.785 -8.714 1.00 0.00 C ATOM 93 C LEU A 10 1.710 12.622 -9.310 1.00 0.00 C ATOM 94 O LEU A 10 1.858 12.285 -10.485 1.00 0.00 O ATOM 95 CB LEU A 10 -0.199 11.434 -8.214 1.00 0.00 C ATOM 96 CG LEU A 10 0.276 10.206 -8.991 1.00 0.00 C ATOM 97 CD1 LEU A 10 0.088 8.945 -8.162 1.00 0.00 C ATOM 98 CD2 LEU A 10 -0.467 10.092 -10.315 1.00 0.00 C ATOM 0 H LEU A 10 -1.397 12.742 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 10 0.377 13.476 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.099 11.317 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.289 11.453 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 10 1.339 10.322 -9.203 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.431 8.081 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.665 9.026 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.968 8.823 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.116 9.212 -10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.536 9.999 -10.125 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.281 10.983 -10.914 1.00 0.00 H new ATOM 110 N ASP A 11 2.729 12.862 -8.492 1.00 0.00 N ATOM 111 CA ASP A 11 4.112 12.738 -8.937 1.00 0.00 C ATOM 112 C ASP A 11 4.811 11.586 -8.224 1.00 0.00 C ATOM 113 O ASP A 11 5.133 11.680 -7.039 1.00 0.00 O ATOM 114 CB ASP A 11 4.869 14.044 -8.687 1.00 0.00 C ATOM 115 CG ASP A 11 5.196 14.252 -7.221 1.00 0.00 C ATOM 116 OD1 ASP A 11 4.252 14.423 -6.421 1.00 0.00 O ATOM 117 OD2 ASP A 11 6.395 14.243 -6.875 1.00 0.00 O ATOM 0 H ASP A 11 2.623 13.143 -7.517 1.00 0.00 H new ATOM 0 HA ASP A 11 4.107 12.529 -10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.793 14.042 -9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.271 14.882 -9.045 1.00 0.00 H new ATOM 122 N ARG A 12 5.043 10.498 -8.952 1.00 0.00 N ATOM 123 CA ARG A 12 5.702 9.327 -8.388 1.00 0.00 C ATOM 124 C ARG A 12 7.138 9.651 -7.987 1.00 0.00 C ATOM 125 O ARG A 12 7.861 10.324 -8.722 1.00 0.00 O ATOM 126 CB ARG A 12 5.690 8.175 -9.395 1.00 0.00 C ATOM 127 CG ARG A 12 4.293 7.755 -9.824 1.00 0.00 C ATOM 128 CD ARG A 12 4.121 7.855 -11.332 1.00 0.00 C ATOM 129 NE ARG A 12 2.733 7.654 -11.738 1.00 0.00 N ATOM 130 CZ ARG A 12 2.315 7.741 -12.996 1.00 0.00 C ATOM 131 NH1 ARG A 12 3.175 8.022 -13.966 1.00 0.00 N ATOM 132 NH2 ARG A 12 1.036 7.545 -13.287 1.00 0.00 N ATOM 0 H ARG A 12 4.784 10.404 -9.934 1.00 0.00 H new ATOM 0 HA ARG A 12 5.153 9.027 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.259 8.469 -10.277 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.200 7.317 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.105 6.731 -9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.554 8.386 -9.330 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.460 8.834 -11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.753 7.112 -11.819 1.00 0.00 H new ATOM 0 HE ARG A 12 2.047 7.435 -11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.160 8.172 -13.747 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.851 8.088 -14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.372 7.327 -12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.717 7.612 -14.253 1.00 0.00 H new ATOM 146 N ASP A 13 7.543 9.169 -6.817 1.00 0.00 N ATOM 147 CA ASP A 13 8.892 9.407 -6.318 1.00 0.00 C ATOM 148 C ASP A 13 9.912 8.576 -7.091 1.00 0.00 C ATOM 149 O ASP A 13 9.572 7.606 -7.769 1.00 0.00 O ATOM 150 CB ASP A 13 8.973 9.078 -4.827 1.00 0.00 C ATOM 151 CG ASP A 13 8.760 10.299 -3.953 1.00 0.00 C ATOM 152 OD1 ASP A 13 8.059 11.232 -4.398 1.00 0.00 O ATOM 153 OD2 ASP A 13 9.294 10.321 -2.824 1.00 0.00 O ATOM 0 H ASP A 13 6.956 8.611 -6.197 1.00 0.00 H new ATOM 0 HA ASP A 13 9.125 10.462 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.224 8.325 -4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.947 8.642 -4.606 1.00 0.00 H new ATOM 158 N PRO A 14 11.192 8.964 -6.988 1.00 0.00 N ATOM 159 CA PRO A 14 12.287 8.268 -7.671 1.00 0.00 C ATOM 160 C PRO A 14 12.555 6.888 -7.079 1.00 0.00 C ATOM 161 O PRO A 14 13.014 5.983 -7.775 1.00 0.00 O ATOM 162 CB PRO A 14 13.488 9.189 -7.445 1.00 0.00 C ATOM 163 CG PRO A 14 13.162 9.937 -6.198 1.00 0.00 C ATOM 164 CD PRO A 14 11.669 10.111 -6.198 1.00 0.00 C ATOM 0 HA PRO A 14 12.063 8.088 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.410 8.618 -7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.632 9.866 -8.287 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.491 9.387 -5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.667 10.903 -6.179 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.263 10.099 -5.186 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.375 11.059 -6.648 1.00 0.00 H new ATOM 172 N ALA A 15 12.266 6.735 -5.791 1.00 0.00 N ATOM 173 CA ALA A 15 12.474 5.465 -5.107 1.00 0.00 C ATOM 174 C ALA A 15 11.202 4.623 -5.115 1.00 0.00 C ATOM 175 O ALA A 15 10.980 3.809 -4.219 1.00 0.00 O ATOM 176 CB ALA A 15 12.942 5.705 -3.680 1.00 0.00 C ATOM 0 H ALA A 15 11.887 7.475 -5.200 1.00 0.00 H new ATOM 0 HA ALA A 15 13.247 4.914 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.093 4.748 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.880 6.260 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.188 6.280 -3.142 1.00 0.00 H new ATOM 182 N PHE A 16 10.370 4.825 -6.131 1.00 0.00 N ATOM 183 CA PHE A 16 9.120 4.085 -6.254 1.00 0.00 C ATOM 184 C PHE A 16 9.384 2.624 -6.605 1.00 0.00 C ATOM 185 O PHE A 16 9.887 2.316 -7.685 1.00 0.00 O ATOM 186 CB PHE A 16 8.227 4.724 -7.320 1.00 0.00 C ATOM 187 CG PHE A 16 7.188 3.790 -7.870 1.00 0.00 C ATOM 188 CD1 PHE A 16 6.084 3.435 -7.111 1.00 0.00 C ATOM 189 CD2 PHE A 16 7.314 3.266 -9.147 1.00 0.00 C ATOM 190 CE1 PHE A 16 5.127 2.575 -7.615 1.00 0.00 C ATOM 191 CE2 PHE A 16 6.360 2.406 -9.656 1.00 0.00 C ATOM 192 CZ PHE A 16 5.265 2.060 -8.889 1.00 0.00 C ATOM 0 H PHE A 16 10.539 5.495 -6.881 1.00 0.00 H new ATOM 0 HA PHE A 16 8.609 4.122 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.731 5.595 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.851 5.083 -8.138 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.970 3.835 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.168 3.533 -9.751 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.272 2.306 -7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.470 2.005 -10.653 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.518 1.388 -9.285 1.00 0.00 H new ATOM 202 N ARG A 17 9.042 1.729 -5.684 1.00 0.00 N ATOM 203 CA ARG A 17 9.244 0.301 -5.894 1.00 0.00 C ATOM 204 C ARG A 17 7.973 -0.481 -5.574 1.00 0.00 C ATOM 205 O ARG A 17 7.422 -0.370 -4.478 1.00 0.00 O ATOM 206 CB ARG A 17 10.398 -0.206 -5.028 1.00 0.00 C ATOM 207 CG ARG A 17 11.735 -0.236 -5.752 1.00 0.00 C ATOM 208 CD ARG A 17 12.127 -1.654 -6.138 1.00 0.00 C ATOM 209 NE ARG A 17 13.571 -1.796 -6.305 1.00 0.00 N ATOM 210 CZ ARG A 17 14.195 -2.968 -6.336 1.00 0.00 C ATOM 211 NH1 ARG A 17 13.505 -4.094 -6.214 1.00 0.00 N ATOM 212 NH2 ARG A 17 15.512 -3.016 -6.491 1.00 0.00 N ATOM 0 H ARG A 17 8.624 1.968 -4.785 1.00 0.00 H new ATOM 0 HA ARG A 17 9.491 0.146 -6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.486 0.429 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.163 -1.210 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.680 0.384 -6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.506 0.195 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.781 -2.347 -5.371 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.626 -1.929 -7.066 1.00 0.00 H new ATOM 0 HE ARG A 17 14.131 -0.949 -6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.492 -4.061 -6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.987 -4.993 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.046 -2.152 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.990 -3.917 -6.515 1.00 0.00 H new ATOM 226 N VAL A 18 7.511 -1.271 -6.538 1.00 0.00 N ATOM 227 CA VAL A 18 6.306 -2.072 -6.359 1.00 0.00 C ATOM 228 C VAL A 18 6.620 -3.562 -6.434 1.00 0.00 C ATOM 229 O VAL A 18 7.335 -4.011 -7.330 1.00 0.00 O ATOM 230 CB VAL A 18 5.242 -1.728 -7.419 1.00 0.00 C ATOM 231 CG1 VAL A 18 5.901 -1.237 -8.698 1.00 0.00 C ATOM 232 CG2 VAL A 18 4.357 -2.935 -7.695 1.00 0.00 C ATOM 0 H VAL A 18 7.953 -1.373 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 18 5.913 -1.837 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 18 4.614 -0.926 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.134 -0.999 -9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.489 -0.344 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.554 -2.015 -9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.611 -2.675 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.969 -3.759 -8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.856 -3.237 -6.775 1.00 0.00 H new ATOM 242 N ILE A 19 6.080 -4.323 -5.488 1.00 0.00 N ATOM 243 CA ILE A 19 6.301 -5.763 -5.448 1.00 0.00 C ATOM 244 C ILE A 19 4.982 -6.524 -5.523 1.00 0.00 C ATOM 245 O ILE A 19 3.912 -5.925 -5.640 1.00 0.00 O ATOM 246 CB ILE A 19 7.051 -6.182 -4.170 1.00 0.00 C ATOM 247 CG1 ILE A 19 6.254 -5.775 -2.929 1.00 0.00 C ATOM 248 CG2 ILE A 19 8.439 -5.561 -4.142 1.00 0.00 C ATOM 249 CD1 ILE A 19 5.528 -6.928 -2.271 1.00 0.00 C ATOM 0 H ILE A 19 5.486 -3.966 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 19 6.911 -6.013 -6.316 1.00 0.00 H new ATOM 0 HB ILE A 19 7.160 -7.267 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.931 -5.322 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.528 -5.011 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.956 -5.867 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.005 -5.896 -5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.352 -4.475 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.985 -6.565 -1.398 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.825 -7.367 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.250 -7.683 -1.961 1.00 0.00 H new ATOM 261 N THR A 20 5.065 -7.849 -5.454 1.00 0.00 N ATOM 262 CA THR A 20 3.878 -8.693 -5.513 1.00 0.00 C ATOM 263 C THR A 20 3.940 -9.804 -4.471 1.00 0.00 C ATOM 264 O THR A 20 4.850 -10.633 -4.486 1.00 0.00 O ATOM 265 CB THR A 20 3.706 -9.323 -6.908 1.00 0.00 C ATOM 266 OG1 THR A 20 4.686 -8.794 -7.809 1.00 0.00 O ATOM 267 CG2 THR A 20 2.311 -9.056 -7.454 1.00 0.00 C ATOM 0 H THR A 20 5.942 -8.361 -5.357 1.00 0.00 H new ATOM 0 HA THR A 20 3.023 -8.050 -5.304 1.00 0.00 H new ATOM 0 HB THR A 20 3.843 -10.400 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.571 -9.201 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.213 -9.510 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.569 -9.485 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.151 -7.981 -7.533 1.00 0.00 H new ATOM 275 N VAL A 21 2.967 -9.815 -3.566 1.00 0.00 N ATOM 276 CA VAL A 21 2.910 -10.825 -2.516 1.00 0.00 C ATOM 277 C VAL A 21 1.943 -11.945 -2.883 1.00 0.00 C ATOM 278 O VAL A 21 0.769 -11.700 -3.163 1.00 0.00 O ATOM 279 CB VAL A 21 2.482 -10.213 -1.170 1.00 0.00 C ATOM 280 CG1 VAL A 21 2.194 -11.307 -0.153 1.00 0.00 C ATOM 281 CG2 VAL A 21 3.552 -9.262 -0.653 1.00 0.00 C ATOM 0 H VAL A 21 2.207 -9.135 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 21 3.915 -11.234 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 21 1.566 -9.644 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.893 -10.855 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.391 -11.945 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.091 -11.906 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.233 -8.838 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.486 -9.806 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.704 -8.459 -1.374 1.00 0.00 H new ATOM 291 N THR A 22 2.443 -13.177 -2.880 1.00 0.00 N ATOM 292 CA THR A 22 1.624 -14.335 -3.213 1.00 0.00 C ATOM 293 C THR A 22 0.333 -14.347 -2.401 1.00 0.00 C ATOM 294 O THR A 22 0.358 -14.483 -1.178 1.00 0.00 O ATOM 295 CB THR A 22 2.385 -15.651 -2.965 1.00 0.00 C ATOM 296 OG1 THR A 22 3.636 -15.633 -3.662 1.00 0.00 O ATOM 297 CG2 THR A 22 1.562 -16.847 -3.422 1.00 0.00 C ATOM 0 H THR A 22 3.412 -13.398 -2.650 1.00 0.00 H new ATOM 0 HA THR A 22 1.383 -14.257 -4.273 1.00 0.00 H new ATOM 0 HB THR A 22 2.567 -15.743 -1.894 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.114 -16.472 -3.498 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.120 -17.765 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.623 -16.875 -2.869 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.353 -16.759 -4.488 1.00 0.00 H new ATOM 305 N LYS A 23 -0.794 -14.205 -3.090 1.00 0.00 N ATOM 306 CA LYS A 23 -2.097 -14.202 -2.434 1.00 0.00 C ATOM 307 C LYS A 23 -2.558 -15.624 -2.133 1.00 0.00 C ATOM 308 O LYS A 23 -2.536 -16.491 -3.006 1.00 0.00 O ATOM 309 CB LYS A 23 -3.131 -13.494 -3.312 1.00 0.00 C ATOM 310 CG LYS A 23 -4.561 -13.672 -2.832 1.00 0.00 C ATOM 311 CD LYS A 23 -5.494 -14.029 -3.977 1.00 0.00 C ATOM 312 CE LYS A 23 -6.249 -12.809 -4.482 1.00 0.00 C ATOM 313 NZ LYS A 23 -6.978 -13.092 -5.749 1.00 0.00 N ATOM 0 H LYS A 23 -0.832 -14.090 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.000 -13.663 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.898 -12.430 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.049 -13.871 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.597 -14.455 -2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.903 -12.753 -2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.919 -14.466 -4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.204 -14.787 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.957 -12.480 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.549 -11.989 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.953 -12.250 -6.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.525 -13.889 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.966 -13.334 -5.534 1.00 0.00 H new ATOM 327 N GLU A 24 -2.976 -15.856 -0.893 1.00 0.00 N ATOM 328 CA GLU A 24 -3.443 -17.173 -0.478 1.00 0.00 C ATOM 329 C GLU A 24 -4.695 -17.060 0.387 1.00 0.00 C ATOM 330 O GLU A 24 -5.715 -17.693 0.112 1.00 0.00 O ATOM 331 CB GLU A 24 -2.344 -17.910 0.290 1.00 0.00 C ATOM 332 CG GLU A 24 -2.564 -19.411 0.378 1.00 0.00 C ATOM 333 CD GLU A 24 -1.344 -20.206 -0.044 1.00 0.00 C ATOM 334 OE1 GLU A 24 -0.216 -19.702 0.139 1.00 0.00 O ATOM 335 OE2 GLU A 24 -1.516 -21.331 -0.558 1.00 0.00 O ATOM 0 H GLU A 24 -3.001 -15.149 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.693 -17.740 -1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.385 -17.720 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.280 -17.501 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.829 -19.676 1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.409 -19.688 -0.252 1.00 0.00 H new ATOM 342 N THR A 25 -4.610 -16.248 1.437 1.00 0.00 N ATOM 343 CA THR A 25 -5.733 -16.052 2.344 1.00 0.00 C ATOM 344 C THR A 25 -6.310 -14.647 2.209 1.00 0.00 C ATOM 345 O THR A 25 -7.525 -14.469 2.130 1.00 0.00 O ATOM 346 CB THR A 25 -5.320 -16.286 3.809 1.00 0.00 C ATOM 347 OG1 THR A 25 -4.275 -15.378 4.175 1.00 0.00 O ATOM 348 CG2 THR A 25 -4.850 -17.718 4.016 1.00 0.00 C ATOM 0 H THR A 25 -3.774 -15.716 1.679 1.00 0.00 H new ATOM 0 HA THR A 25 -6.493 -16.783 2.068 1.00 0.00 H new ATOM 0 HB THR A 25 -6.190 -16.111 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.020 -15.532 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.563 -17.860 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.657 -18.406 3.765 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.992 -17.916 3.374 1.00 0.00 H new ATOM 356 N GLY A 26 -5.430 -13.651 2.183 1.00 0.00 N ATOM 357 CA GLY A 26 -5.872 -12.274 2.056 1.00 0.00 C ATOM 358 C GLY A 26 -4.777 -11.281 2.392 1.00 0.00 C ATOM 359 O GLY A 26 -3.738 -11.652 2.940 1.00 0.00 O ATOM 0 H GLY A 26 -4.419 -13.773 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.217 -12.099 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.724 -12.107 2.714 1.00 0.00 H new ATOM 363 N LEU A 27 -5.007 -10.015 2.061 1.00 0.00 N ATOM 364 CA LEU A 27 -4.030 -8.965 2.329 1.00 0.00 C ATOM 365 C LEU A 27 -3.606 -8.977 3.794 1.00 0.00 C ATOM 366 O LEU A 27 -2.481 -9.351 4.122 1.00 0.00 O ATOM 367 CB LEU A 27 -4.611 -7.597 1.965 1.00 0.00 C ATOM 368 CG LEU A 27 -3.844 -6.803 0.907 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.538 -6.275 1.479 1.00 0.00 C ATOM 370 CD2 LEU A 27 -3.583 -7.663 -0.321 1.00 0.00 C ATOM 0 H LEU A 27 -5.861 -9.691 1.607 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.150 -9.155 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.633 -7.740 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.668 -6.995 2.872 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.455 -5.952 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.006 -5.713 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.749 -5.623 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.921 -7.111 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.036 -7.081 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.993 -8.534 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.533 -7.990 -0.744 1.00 0.00 H new ATOM 382 N GLY A 28 -4.516 -8.565 4.672 1.00 0.00 N ATOM 383 CA GLY A 28 -4.218 -8.538 6.092 1.00 0.00 C ATOM 384 C GLY A 28 -3.226 -7.451 6.455 1.00 0.00 C ATOM 385 O GLY A 28 -2.354 -7.653 7.301 1.00 0.00 O ATOM 0 H GLY A 28 -5.454 -8.250 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.141 -8.385 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.819 -9.506 6.395 1.00 0.00 H new ATOM 389 N LEU A 29 -3.357 -6.295 5.814 1.00 0.00 N ATOM 390 CA LEU A 29 -2.464 -5.171 6.074 1.00 0.00 C ATOM 391 C LEU A 29 -3.250 -3.941 6.517 1.00 0.00 C ATOM 392 O LEU A 29 -4.463 -3.861 6.318 1.00 0.00 O ATOM 393 CB LEU A 29 -1.647 -4.844 4.822 1.00 0.00 C ATOM 394 CG LEU A 29 -0.453 -5.758 4.542 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.585 -5.632 5.646 1.00 0.00 C ATOM 396 CD2 LEU A 29 -0.910 -7.202 4.399 1.00 0.00 C ATOM 0 H LEU A 29 -4.073 -6.111 5.111 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.787 -5.456 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.313 -4.875 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.283 -3.820 4.907 1.00 0.00 H new ATOM 0 HG LEU A 29 0.006 -5.448 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.427 -6.289 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.934 -4.601 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.139 -5.915 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.048 -7.838 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.393 -7.524 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.617 -7.280 3.573 1.00 0.00 H new ATOM 408 N LYS A 30 -2.552 -2.984 7.117 1.00 0.00 N ATOM 409 CA LYS A 30 -3.182 -1.756 7.586 1.00 0.00 C ATOM 410 C LYS A 30 -2.593 -0.538 6.882 1.00 0.00 C ATOM 411 O LYS A 30 -1.430 -0.546 6.478 1.00 0.00 O ATOM 412 CB LYS A 30 -3.010 -1.615 9.101 1.00 0.00 C ATOM 413 CG LYS A 30 -3.577 -2.784 9.888 1.00 0.00 C ATOM 414 CD LYS A 30 -3.486 -2.543 11.386 1.00 0.00 C ATOM 415 CE LYS A 30 -3.301 -3.845 12.149 1.00 0.00 C ATOM 416 NZ LYS A 30 -3.319 -3.631 13.623 1.00 0.00 N ATOM 0 H LYS A 30 -1.548 -3.035 7.290 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.245 -1.811 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.949 -1.514 9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.496 -0.696 9.430 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.618 -2.943 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.035 -3.694 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.652 -1.874 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.391 -2.043 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.092 -4.543 11.874 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.356 -4.304 11.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.190 -4.542 14.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.549 -2.985 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.231 -3.216 13.902 1.00 0.00 H new ATOM 430 N ILE A 31 -3.402 0.507 6.739 1.00 0.00 N ATOM 431 CA ILE A 31 -2.958 1.732 6.086 1.00 0.00 C ATOM 432 C ILE A 31 -3.001 2.914 7.048 1.00 0.00 C ATOM 433 O ILE A 31 -3.776 2.922 8.005 1.00 0.00 O ATOM 434 CB ILE A 31 -3.822 2.056 4.853 1.00 0.00 C ATOM 435 CG1 ILE A 31 -5.300 2.120 5.240 1.00 0.00 C ATOM 436 CG2 ILE A 31 -3.599 1.019 3.763 1.00 0.00 C ATOM 437 CD1 ILE A 31 -5.929 3.475 5.002 1.00 0.00 C ATOM 0 H ILE A 31 -4.368 0.529 7.067 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.930 1.565 5.766 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.525 3.031 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.849 1.369 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.403 1.861 6.294 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.216 1.262 2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.549 1.019 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.872 0.033 4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.977 3.447 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.405 4.228 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.858 3.728 3.944 1.00 0.00 H new ATOM 449 N LEU A 32 -2.165 3.913 6.787 1.00 0.00 N ATOM 450 CA LEU A 32 -2.109 5.103 7.628 1.00 0.00 C ATOM 451 C LEU A 32 -2.292 6.368 6.796 1.00 0.00 C ATOM 452 O LEU A 32 -2.062 6.367 5.587 1.00 0.00 O ATOM 453 CB LEU A 32 -0.776 5.160 8.376 1.00 0.00 C ATOM 454 CG LEU A 32 -0.843 4.927 9.886 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.532 5.099 10.514 1.00 0.00 C ATOM 456 CD2 LEU A 32 -1.847 5.873 10.528 1.00 0.00 C ATOM 0 H LEU A 32 -1.517 3.922 6.000 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.923 5.045 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.107 4.416 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.324 6.136 8.199 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.175 3.904 10.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.465 4.929 11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.225 4.380 10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.893 6.111 10.328 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.881 5.693 11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.546 6.904 10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.834 5.701 10.100 1.00 0.00 H new ATOM 468 N GLY A 33 -2.706 7.448 7.452 1.00 0.00 N ATOM 469 CA GLY A 33 -2.911 8.705 6.757 1.00 0.00 C ATOM 470 C GLY A 33 -4.373 8.973 6.462 1.00 0.00 C ATOM 471 O GLY A 33 -5.256 8.459 7.147 1.00 0.00 O ATOM 0 H GLY A 33 -2.903 7.474 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.510 9.520 7.360 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.351 8.695 5.822 1.00 0.00 H new ATOM 475 N GLY A 34 -4.631 9.782 5.438 1.00 0.00 N ATOM 476 CA GLY A 34 -5.998 10.105 5.073 1.00 0.00 C ATOM 477 C GLY A 34 -6.238 11.599 4.989 1.00 0.00 C ATOM 478 O GLY A 34 -6.010 12.327 5.956 1.00 0.00 O ATOM 0 H GLY A 34 -3.917 10.219 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.232 9.648 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.679 9.671 5.806 1.00 0.00 H new ATOM 482 N ILE A 35 -6.698 12.058 3.830 1.00 0.00 N ATOM 483 CA ILE A 35 -6.969 13.475 3.623 1.00 0.00 C ATOM 484 C ILE A 35 -7.585 14.105 4.868 1.00 0.00 C ATOM 485 O ILE A 35 -7.425 15.299 5.116 1.00 0.00 O ATOM 486 CB ILE A 35 -7.913 13.700 2.427 1.00 0.00 C ATOM 487 CG1 ILE A 35 -9.117 12.760 2.517 1.00 0.00 C ATOM 488 CG2 ILE A 35 -7.167 13.491 1.118 1.00 0.00 C ATOM 489 CD1 ILE A 35 -10.076 12.895 1.355 1.00 0.00 C ATOM 0 H ILE A 35 -6.891 11.469 3.020 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.011 13.951 3.413 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.275 14.728 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.761 11.731 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.653 12.957 3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.847 13.653 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.339 14.197 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.780 12.473 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.905 12.199 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.460 13.914 1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.555 12.669 0.425 1.00 0.00 H new ATOM 501 N ASN A 36 -8.288 13.291 5.649 1.00 0.00 N ATOM 502 CA ASN A 36 -8.928 13.768 6.870 1.00 0.00 C ATOM 503 C ASN A 36 -8.036 13.521 8.083 1.00 0.00 C ATOM 504 O ASN A 36 -8.024 14.310 9.029 1.00 0.00 O ATOM 505 CB ASN A 36 -10.278 13.076 7.067 1.00 0.00 C ATOM 506 CG ASN A 36 -10.131 11.651 7.563 1.00 0.00 C ATOM 507 OD1 ASN A 36 -9.714 11.416 8.697 1.00 0.00 O ATOM 508 ND2 ASN A 36 -10.474 10.691 6.712 1.00 0.00 N ATOM 0 H ASN A 36 -8.429 12.299 5.458 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.089 14.842 6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.875 13.646 7.779 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.824 13.075 6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.397 9.712 6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.815 10.932 5.781 1.00 0.00 H new ATOM 515 N ARG A 37 -7.289 12.422 8.049 1.00 0.00 N ATOM 516 CA ARG A 37 -6.395 12.071 9.145 1.00 0.00 C ATOM 517 C ARG A 37 -5.207 13.026 9.204 1.00 0.00 C ATOM 518 O ARG A 37 -5.052 13.895 8.346 1.00 0.00 O ATOM 519 CB ARG A 37 -5.899 10.633 8.986 1.00 0.00 C ATOM 520 CG ARG A 37 -6.941 9.586 9.347 1.00 0.00 C ATOM 521 CD ARG A 37 -7.328 9.668 10.815 1.00 0.00 C ATOM 522 NE ARG A 37 -7.732 8.370 11.348 1.00 0.00 N ATOM 523 CZ ARG A 37 -8.378 8.216 12.498 1.00 0.00 C ATOM 524 NH1 ARG A 37 -8.691 9.275 13.233 1.00 0.00 N ATOM 525 NH2 ARG A 37 -8.712 7.002 12.916 1.00 0.00 N ATOM 0 H ARG A 37 -7.286 11.759 7.274 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.953 12.155 10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.583 10.478 7.954 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.019 10.489 9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.827 9.725 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.551 8.592 9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.485 10.050 11.391 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.145 10.379 10.935 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.506 7.535 10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.435 10.210 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.187 9.154 14.116 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.473 6.185 12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.208 6.885 13.800 1.00 0.00 H new ATOM 539 N ASN A 38 -4.370 12.859 10.223 1.00 0.00 N ATOM 540 CA ASN A 38 -3.196 13.707 10.395 1.00 0.00 C ATOM 541 C ASN A 38 -1.995 13.130 9.651 1.00 0.00 C ATOM 542 O ASN A 38 -1.130 13.870 9.182 1.00 0.00 O ATOM 543 CB ASN A 38 -2.864 13.860 11.881 1.00 0.00 C ATOM 544 CG ASN A 38 -3.504 15.092 12.492 1.00 0.00 C ATOM 545 OD1 ASN A 38 -4.161 15.871 11.801 1.00 0.00 O ATOM 546 ND2 ASN A 38 -3.315 15.272 13.794 1.00 0.00 N ATOM 0 H ASN A 38 -4.483 12.144 10.942 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.423 14.688 9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.201 12.974 12.419 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.783 13.916 12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.722 16.082 14.261 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.763 14.600 14.327 1.00 0.00 H new ATOM 553 N GLU A 39 -1.949 11.806 9.548 1.00 0.00 N ATOM 554 CA GLU A 39 -0.854 11.131 8.862 1.00 0.00 C ATOM 555 C GLU A 39 -0.910 11.392 7.360 1.00 0.00 C ATOM 556 O GLU A 39 0.111 11.355 6.674 1.00 0.00 O ATOM 557 CB GLU A 39 -0.905 9.625 9.131 1.00 0.00 C ATOM 558 CG GLU A 39 0.068 9.165 10.203 1.00 0.00 C ATOM 559 CD GLU A 39 1.502 9.129 9.712 1.00 0.00 C ATOM 560 OE1 GLU A 39 1.783 8.375 8.756 1.00 0.00 O ATOM 561 OE2 GLU A 39 2.344 9.853 10.282 1.00 0.00 O ATOM 0 H GLU A 39 -2.657 11.180 9.931 1.00 0.00 H new ATOM 0 HA GLU A 39 0.084 11.530 9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.917 9.352 9.430 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.691 9.092 8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.001 9.832 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.219 8.171 10.547 1.00 0.00 H new ATOM 568 N GLY A 40 -2.111 11.658 6.855 1.00 0.00 N ATOM 569 CA GLY A 40 -2.279 11.921 5.438 1.00 0.00 C ATOM 570 C GLY A 40 -1.617 13.214 5.006 1.00 0.00 C ATOM 571 O GLY A 40 -0.752 13.754 5.696 1.00 0.00 O ATOM 0 H GLY A 40 -2.971 11.696 7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.860 11.093 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.343 11.965 5.203 1.00 0.00 H new ATOM 575 N PRO A 41 -2.024 13.730 3.837 1.00 0.00 N ATOM 576 CA PRO A 41 -3.052 13.096 3.007 1.00 0.00 C ATOM 577 C PRO A 41 -2.567 11.796 2.376 1.00 0.00 C ATOM 578 O PRO A 41 -3.367 10.927 2.027 1.00 0.00 O ATOM 579 CB PRO A 41 -3.331 14.144 1.926 1.00 0.00 C ATOM 580 CG PRO A 41 -2.078 14.945 1.843 1.00 0.00 C ATOM 581 CD PRO A 41 -1.511 14.973 3.235 1.00 0.00 C ATOM 0 HA PRO A 41 -3.931 12.819 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.565 13.675 0.970 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.184 14.769 2.191 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.373 14.495 1.144 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.283 15.954 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.421 14.995 3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.842 15.853 3.786 1.00 0.00 H new ATOM 589 N LEU A 42 -1.253 11.668 2.231 1.00 0.00 N ATOM 590 CA LEU A 42 -0.660 10.472 1.642 1.00 0.00 C ATOM 591 C LEU A 42 -0.925 9.248 2.512 1.00 0.00 C ATOM 592 O LEU A 42 -1.125 9.364 3.721 1.00 0.00 O ATOM 593 CB LEU A 42 0.846 10.664 1.456 1.00 0.00 C ATOM 594 CG LEU A 42 1.270 11.576 0.305 1.00 0.00 C ATOM 595 CD1 LEU A 42 0.432 11.297 -0.933 1.00 0.00 C ATOM 596 CD2 LEU A 42 1.153 13.038 0.712 1.00 0.00 C ATOM 0 H LEU A 42 -0.577 12.378 2.513 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.122 10.309 0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.258 11.066 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.301 9.685 1.304 1.00 0.00 H new ATOM 0 HG LEU A 42 2.313 11.368 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.748 11.955 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.566 10.259 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.619 11.476 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.459 13.673 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.119 13.260 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.797 13.229 1.570 1.00 0.00 H new ATOM 608 N VAL A 43 -0.923 8.074 1.889 1.00 0.00 N ATOM 609 CA VAL A 43 -1.160 6.827 2.607 1.00 0.00 C ATOM 610 C VAL A 43 0.132 6.034 2.772 1.00 0.00 C ATOM 611 O VAL A 43 0.995 6.044 1.895 1.00 0.00 O ATOM 612 CB VAL A 43 -2.198 5.950 1.881 1.00 0.00 C ATOM 613 CG1 VAL A 43 -2.348 4.609 2.583 1.00 0.00 C ATOM 614 CG2 VAL A 43 -3.536 6.669 1.796 1.00 0.00 C ATOM 0 H VAL A 43 -0.760 7.960 0.889 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.546 7.096 3.590 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.846 5.765 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.085 4.003 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.389 4.091 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.678 4.770 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.257 6.035 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.897 6.886 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.414 7.602 1.245 1.00 0.00 H new ATOM 624 N TYR A 44 0.257 5.348 3.902 1.00 0.00 N ATOM 625 CA TYR A 44 1.445 4.550 4.185 1.00 0.00 C ATOM 626 C TYR A 44 1.105 3.369 5.088 1.00 0.00 C ATOM 627 O TYR A 44 0.289 3.487 6.002 1.00 0.00 O ATOM 628 CB TYR A 44 2.522 5.416 4.841 1.00 0.00 C ATOM 629 CG TYR A 44 2.225 6.898 4.784 1.00 0.00 C ATOM 630 CD1 TYR A 44 1.203 7.451 5.545 1.00 0.00 C ATOM 631 CD2 TYR A 44 2.969 7.744 3.971 1.00 0.00 C ATOM 632 CE1 TYR A 44 0.928 8.804 5.496 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.702 9.099 3.917 1.00 0.00 C ATOM 634 CZ TYR A 44 1.681 9.624 4.681 1.00 0.00 C ATOM 635 OH TYR A 44 1.411 10.972 4.630 1.00 0.00 O ATOM 0 H TYR A 44 -0.449 5.328 4.637 1.00 0.00 H new ATOM 0 HA TYR A 44 1.826 4.163 3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.633 5.116 5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.477 5.226 4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.613 6.812 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.769 7.336 3.371 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.128 9.218 6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.290 9.743 3.280 1.00 0.00 H new ATOM 0 HH TYR A 44 1.211 11.300 5.532 1.00 0.00 H new ATOM 645 N ILE A 45 1.739 2.231 4.826 1.00 0.00 N ATOM 646 CA ILE A 45 1.507 1.028 5.616 1.00 0.00 C ATOM 647 C ILE A 45 1.455 1.350 7.106 1.00 0.00 C ATOM 648 O ILE A 45 2.451 1.769 7.696 1.00 0.00 O ATOM 649 CB ILE A 45 2.600 -0.028 5.368 1.00 0.00 C ATOM 650 CG1 ILE A 45 2.771 -0.275 3.868 1.00 0.00 C ATOM 651 CG2 ILE A 45 2.257 -1.324 6.088 1.00 0.00 C ATOM 652 CD1 ILE A 45 3.714 -1.413 3.546 1.00 0.00 C ATOM 0 H ILE A 45 2.417 2.117 4.073 1.00 0.00 H new ATOM 0 HA ILE A 45 0.545 0.624 5.300 1.00 0.00 H new ATOM 0 HB ILE A 45 3.543 0.347 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.796 -0.487 3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.141 0.636 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.039 -2.061 5.903 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.181 -1.136 7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.305 -1.705 5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.787 -1.530 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.701 -1.195 3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.335 -2.335 3.986 1.00 0.00 H new ATOM 664 N HIS A 46 0.287 1.151 7.708 1.00 0.00 N ATOM 665 CA HIS A 46 0.105 1.417 9.131 1.00 0.00 C ATOM 666 C HIS A 46 0.845 0.385 9.976 1.00 0.00 C ATOM 667 O HIS A 46 1.585 0.737 10.894 1.00 0.00 O ATOM 668 CB HIS A 46 -1.382 1.414 9.486 1.00 0.00 C ATOM 669 CG HIS A 46 -1.647 1.565 10.952 1.00 0.00 C ATOM 670 ND1 HIS A 46 -1.159 0.885 12.016 1.00 0.00 N flip ATOM 671 CD2 HIS A 46 -2.511 2.509 11.467 1.00 0.00 C flip ATOM 672 CE1 HIS A 46 -1.729 1.425 13.142 1.00 0.00 C flip ATOM 673 NE2 HIS A 46 -2.541 2.404 12.784 1.00 0.00 N flip ATOM 0 H HIS A 46 -0.547 0.807 7.233 1.00 0.00 H new ATOM 0 HA HIS A 46 0.520 2.401 9.347 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.877 2.224 8.950 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.828 0.482 9.138 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.075 3.223 10.885 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.544 1.102 14.156 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.096 2.980 13.416 1.00 0.00 H new ATOM 682 N GLU A 47 0.640 -0.890 9.659 1.00 0.00 N ATOM 683 CA GLU A 47 1.286 -1.972 10.391 1.00 0.00 C ATOM 684 C GLU A 47 1.085 -3.307 9.679 1.00 0.00 C ATOM 685 O GLU A 47 0.019 -3.572 9.123 1.00 0.00 O ATOM 686 CB GLU A 47 0.736 -2.054 11.816 1.00 0.00 C ATOM 687 CG GLU A 47 1.192 -3.289 12.575 1.00 0.00 C ATOM 688 CD GLU A 47 0.975 -3.168 14.071 1.00 0.00 C ATOM 689 OE1 GLU A 47 1.704 -2.385 14.715 1.00 0.00 O ATOM 690 OE2 GLU A 47 0.076 -3.856 14.597 1.00 0.00 O ATOM 0 H GLU A 47 0.032 -1.198 8.900 1.00 0.00 H new ATOM 0 HA GLU A 47 2.354 -1.760 10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.044 -1.165 12.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.353 -2.044 11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.652 -4.160 12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.250 -3.462 12.378 1.00 0.00 H new ATOM 697 N VAL A 48 2.117 -4.144 9.700 1.00 0.00 N ATOM 698 CA VAL A 48 2.055 -5.451 9.058 1.00 0.00 C ATOM 699 C VAL A 48 1.487 -6.502 10.005 1.00 0.00 C ATOM 700 O VAL A 48 2.221 -7.115 10.781 1.00 0.00 O ATOM 701 CB VAL A 48 3.445 -5.907 8.576 1.00 0.00 C ATOM 702 CG1 VAL A 48 3.353 -7.256 7.880 1.00 0.00 C ATOM 703 CG2 VAL A 48 4.058 -4.863 7.655 1.00 0.00 C ATOM 0 H VAL A 48 3.007 -3.940 10.155 1.00 0.00 H new ATOM 0 HA VAL A 48 1.396 -5.349 8.196 1.00 0.00 H new ATOM 0 HB VAL A 48 4.094 -6.017 9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.345 -7.562 7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.959 -7.998 8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.689 -7.177 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.040 -5.201 7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.413 -4.718 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.161 -3.920 8.192 1.00 0.00 H new ATOM 713 N ILE A 49 0.176 -6.707 9.935 1.00 0.00 N ATOM 714 CA ILE A 49 -0.490 -7.686 10.785 1.00 0.00 C ATOM 715 C ILE A 49 0.185 -9.049 10.687 1.00 0.00 C ATOM 716 O ILE A 49 0.353 -9.609 9.603 1.00 0.00 O ATOM 717 CB ILE A 49 -1.978 -7.833 10.415 1.00 0.00 C ATOM 718 CG1 ILE A 49 -2.682 -6.477 10.490 1.00 0.00 C ATOM 719 CG2 ILE A 49 -2.655 -8.839 11.335 1.00 0.00 C ATOM 720 CD1 ILE A 49 -3.987 -6.430 9.727 1.00 0.00 C ATOM 0 H ILE A 49 -0.446 -6.208 9.299 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.414 -7.319 11.809 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.048 -8.201 9.391 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.873 -6.233 11.535 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.015 -5.708 10.100 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.706 -8.932 11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.167 -9.809 11.236 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.578 -8.498 12.367 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.430 -5.439 9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.801 -6.642 8.674 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.672 -7.175 10.132 1.00 0.00 H new ATOM 732 N PRO A 50 0.579 -9.600 11.844 1.00 0.00 N ATOM 733 CA PRO A 50 1.240 -10.907 11.915 1.00 0.00 C ATOM 734 C PRO A 50 0.293 -12.054 11.580 1.00 0.00 C ATOM 735 O PRO A 50 -0.593 -12.390 12.364 1.00 0.00 O ATOM 736 CB PRO A 50 1.692 -10.997 13.375 1.00 0.00 C ATOM 737 CG PRO A 50 0.755 -10.108 14.118 1.00 0.00 C ATOM 738 CD PRO A 50 0.410 -8.989 13.174 1.00 0.00 C ATOM 0 HA PRO A 50 2.055 -10.991 11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.641 -12.022 13.743 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.725 -10.668 13.491 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.139 -10.651 14.423 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.219 -9.723 15.026 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.609 -8.634 13.327 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.069 -8.132 13.309 1.00 0.00 H new ATOM 746 N GLY A 51 0.487 -12.652 10.408 1.00 0.00 N ATOM 747 CA GLY A 51 -0.358 -13.755 9.989 1.00 0.00 C ATOM 748 C GLY A 51 -1.024 -13.501 8.652 1.00 0.00 C ATOM 749 O GLY A 51 -2.006 -14.156 8.305 1.00 0.00 O ATOM 0 H GLY A 51 1.214 -12.392 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.241 -14.664 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.123 -13.930 10.745 1.00 0.00 H new ATOM 753 N GLY A 52 -0.490 -12.544 7.899 1.00 0.00 N ATOM 754 CA GLY A 52 -1.054 -12.220 6.601 1.00 0.00 C ATOM 755 C GLY A 52 -0.146 -12.626 5.457 1.00 0.00 C ATOM 756 O GLY A 52 0.886 -13.263 5.670 1.00 0.00 O ATOM 0 H GLY A 52 0.323 -11.988 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.017 -12.719 6.492 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.243 -11.148 6.548 1.00 0.00 H new ATOM 760 N ASP A 53 -0.531 -12.258 4.240 1.00 0.00 N ATOM 761 CA ASP A 53 0.256 -12.588 3.057 1.00 0.00 C ATOM 762 C ASP A 53 1.566 -11.808 3.041 1.00 0.00 C ATOM 763 O ASP A 53 2.647 -12.393 2.961 1.00 0.00 O ATOM 764 CB ASP A 53 -0.544 -12.292 1.788 1.00 0.00 C ATOM 765 CG ASP A 53 -1.247 -13.521 1.246 1.00 0.00 C ATOM 766 OD1 ASP A 53 -0.593 -14.579 1.138 1.00 0.00 O ATOM 767 OD2 ASP A 53 -2.452 -13.425 0.930 1.00 0.00 O ATOM 0 H ASP A 53 -1.383 -11.731 4.047 1.00 0.00 H new ATOM 0 HA ASP A 53 0.489 -13.652 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.282 -11.519 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.125 -11.894 1.025 1.00 0.00 H new ATOM 772 N CYS A 54 1.463 -10.486 3.116 1.00 0.00 N ATOM 773 CA CYS A 54 2.641 -9.625 3.107 1.00 0.00 C ATOM 774 C CYS A 54 3.559 -9.949 4.282 1.00 0.00 C ATOM 775 O CYS A 54 4.775 -10.057 4.121 1.00 0.00 O ATOM 776 CB CYS A 54 2.223 -8.155 3.161 1.00 0.00 C ATOM 777 SG CYS A 54 1.405 -7.565 1.660 1.00 0.00 S ATOM 0 H CYS A 54 0.576 -9.987 3.184 1.00 0.00 H new ATOM 0 HA CYS A 54 3.187 -9.806 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.553 -8.010 4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.106 -7.544 3.345 1.00 0.00 H new ATOM 0 HG CYS A 54 1.087 -6.312 1.803 1.00 0.00 H new ATOM 783 N TYR A 55 2.969 -10.100 5.462 1.00 0.00 N ATOM 784 CA TYR A 55 3.734 -10.407 6.665 1.00 0.00 C ATOM 785 C TYR A 55 4.802 -11.458 6.378 1.00 0.00 C ATOM 786 O TYR A 55 5.974 -11.277 6.709 1.00 0.00 O ATOM 787 CB TYR A 55 2.804 -10.900 7.775 1.00 0.00 C ATOM 788 CG TYR A 55 3.527 -11.279 9.047 1.00 0.00 C ATOM 789 CD1 TYR A 55 3.947 -10.307 9.947 1.00 0.00 C ATOM 790 CD2 TYR A 55 3.789 -12.609 9.351 1.00 0.00 C ATOM 791 CE1 TYR A 55 4.609 -10.648 11.110 1.00 0.00 C ATOM 792 CE2 TYR A 55 4.449 -12.960 10.513 1.00 0.00 C ATOM 793 CZ TYR A 55 4.857 -11.976 11.389 1.00 0.00 C ATOM 794 OH TYR A 55 5.515 -12.320 12.548 1.00 0.00 O ATOM 0 H TYR A 55 1.964 -10.015 5.612 1.00 0.00 H new ATOM 0 HA TYR A 55 4.228 -9.493 6.993 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.075 -10.121 8.000 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.246 -11.764 7.413 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.752 -9.266 9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.471 -13.382 8.667 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.931 -9.879 11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.644 -13.999 10.734 1.00 0.00 H new ATOM 0 HH TYR A 55 5.609 -13.294 12.594 1.00 0.00 H new ATOM 804 N LYS A 56 4.389 -12.558 5.757 1.00 0.00 N ATOM 805 CA LYS A 56 5.309 -13.639 5.422 1.00 0.00 C ATOM 806 C LYS A 56 6.425 -13.140 4.509 1.00 0.00 C ATOM 807 O LYS A 56 7.585 -13.522 4.667 1.00 0.00 O ATOM 808 CB LYS A 56 4.555 -14.785 4.743 1.00 0.00 C ATOM 809 CG LYS A 56 4.157 -15.899 5.696 1.00 0.00 C ATOM 810 CD LYS A 56 2.648 -16.067 5.759 1.00 0.00 C ATOM 811 CE LYS A 56 2.173 -16.301 7.185 1.00 0.00 C ATOM 812 NZ LYS A 56 2.072 -17.751 7.506 1.00 0.00 N ATOM 0 H LYS A 56 3.423 -12.724 5.475 1.00 0.00 H new ATOM 0 HA LYS A 56 5.756 -14.003 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.659 -14.388 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.179 -15.201 3.951 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.615 -16.835 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.542 -15.681 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.165 -15.178 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.348 -16.906 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.863 -15.823 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.200 -15.830 7.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.745 -17.868 8.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.395 -18.203 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.005 -18.197 7.397 1.00 0.00 H new ATOM 826 N ASP A 57 6.067 -12.285 3.558 1.00 0.00 N ATOM 827 CA ASP A 57 7.040 -11.733 2.622 1.00 0.00 C ATOM 828 C ASP A 57 8.157 -11.007 3.365 1.00 0.00 C ATOM 829 O ASP A 57 9.308 -11.442 3.355 1.00 0.00 O ATOM 830 CB ASP A 57 6.353 -10.775 1.646 1.00 0.00 C ATOM 831 CG ASP A 57 7.254 -10.379 0.494 1.00 0.00 C ATOM 832 OD1 ASP A 57 8.396 -10.882 0.432 1.00 0.00 O ATOM 833 OD2 ASP A 57 6.818 -9.565 -0.347 1.00 0.00 O ATOM 0 H ASP A 57 5.111 -11.959 3.415 1.00 0.00 H new ATOM 0 HA ASP A 57 7.478 -12.559 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.452 -11.245 1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.038 -9.879 2.182 1.00 0.00 H new ATOM 838 N GLY A 58 7.809 -9.896 4.008 1.00 0.00 N ATOM 839 CA GLY A 58 8.794 -9.127 4.746 1.00 0.00 C ATOM 840 C GLY A 58 9.330 -7.955 3.948 1.00 0.00 C ATOM 841 O GLY A 58 9.772 -6.957 4.519 1.00 0.00 O ATOM 0 H GLY A 58 6.863 -9.515 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.346 -8.760 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.621 -9.778 5.030 1.00 0.00 H new ATOM 845 N ARG A 59 9.294 -8.075 2.625 1.00 0.00 N ATOM 846 CA ARG A 59 9.783 -7.018 1.748 1.00 0.00 C ATOM 847 C ARG A 59 9.143 -5.679 2.102 1.00 0.00 C ATOM 848 O ARG A 59 9.743 -4.621 1.906 1.00 0.00 O ATOM 849 CB ARG A 59 9.492 -7.364 0.287 1.00 0.00 C ATOM 850 CG ARG A 59 10.483 -8.348 -0.315 1.00 0.00 C ATOM 851 CD ARG A 59 10.254 -8.526 -1.808 1.00 0.00 C ATOM 852 NE ARG A 59 9.389 -9.666 -2.097 1.00 0.00 N ATOM 853 CZ ARG A 59 8.821 -9.876 -3.279 1.00 0.00 C ATOM 854 NH1 ARG A 59 9.026 -9.028 -4.277 1.00 0.00 N ATOM 855 NH2 ARG A 59 8.046 -10.937 -3.465 1.00 0.00 N ATOM 0 H ARG A 59 8.931 -8.894 2.137 1.00 0.00 H new ATOM 0 HA ARG A 59 10.861 -6.934 1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.488 -7.782 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.499 -6.448 -0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.499 -7.995 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.391 -9.312 0.186 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.808 -7.620 -2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.213 -8.663 -2.308 1.00 0.00 H new ATOM 0 HE ARG A 59 9.211 -10.338 -1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.621 -8.211 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.588 -9.192 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.886 -11.592 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.610 -11.097 -4.373 1.00 0.00 H new ATOM 869 N LEU A 60 7.923 -5.731 2.624 1.00 0.00 N ATOM 870 CA LEU A 60 7.201 -4.522 3.005 1.00 0.00 C ATOM 871 C LEU A 60 7.463 -4.169 4.465 1.00 0.00 C ATOM 872 O LEU A 60 8.206 -4.864 5.160 1.00 0.00 O ATOM 873 CB LEU A 60 5.700 -4.707 2.775 1.00 0.00 C ATOM 874 CG LEU A 60 5.233 -4.662 1.320 1.00 0.00 C ATOM 875 CD1 LEU A 60 5.690 -3.374 0.652 1.00 0.00 C ATOM 876 CD2 LEU A 60 5.750 -5.873 0.556 1.00 0.00 C ATOM 0 H LEU A 60 7.412 -6.598 2.793 1.00 0.00 H new ATOM 0 HA LEU A 60 7.560 -3.703 2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.403 -5.665 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.170 -3.933 3.330 1.00 0.00 H new ATOM 0 HG LEU A 60 4.143 -4.687 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.348 -3.360 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.271 -2.520 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.778 -3.318 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.408 -5.824 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.840 -5.879 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.373 -6.784 1.020 1.00 0.00 H new ATOM 888 N LYS A 61 6.848 -3.085 4.926 1.00 0.00 N ATOM 889 CA LYS A 61 7.011 -2.640 6.305 1.00 0.00 C ATOM 890 C LYS A 61 6.191 -1.383 6.572 1.00 0.00 C ATOM 891 O LYS A 61 5.811 -0.654 5.655 1.00 0.00 O ATOM 892 CB LYS A 61 8.488 -2.372 6.604 1.00 0.00 C ATOM 893 CG LYS A 61 9.091 -3.338 7.609 1.00 0.00 C ATOM 894 CD LYS A 61 10.063 -2.638 8.543 1.00 0.00 C ATOM 895 CE LYS A 61 10.937 -3.635 9.288 1.00 0.00 C ATOM 896 NZ LYS A 61 10.728 -3.566 10.760 1.00 0.00 N ATOM 0 H LYS A 61 6.232 -2.498 4.364 1.00 0.00 H new ATOM 0 HA LYS A 61 6.651 -3.432 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.054 -2.428 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.595 -1.355 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.295 -3.801 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.607 -4.139 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.693 -1.957 7.970 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.508 -2.032 9.260 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.717 -4.643 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.985 -3.440 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.342 -4.261 11.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.962 -2.611 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.734 -3.778 10.980 1.00 0.00 H new ATOM 910 N PRO A 62 5.911 -1.119 7.857 1.00 0.00 N ATOM 911 CA PRO A 62 5.134 0.053 8.273 1.00 0.00 C ATOM 912 C PRO A 62 5.898 1.357 8.070 1.00 0.00 C ATOM 913 O PRO A 62 7.066 1.467 8.440 1.00 0.00 O ATOM 914 CB PRO A 62 4.889 -0.196 9.764 1.00 0.00 C ATOM 915 CG PRO A 62 6.010 -1.080 10.190 1.00 0.00 C ATOM 916 CD PRO A 62 6.332 -1.943 9.002 1.00 0.00 C ATOM 0 HA PRO A 62 4.221 0.165 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.886 0.738 10.326 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.923 -0.672 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.877 -0.492 10.492 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.723 -1.688 11.048 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.394 -2.182 8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.793 -2.890 9.035 1.00 0.00 H new ATOM 924 N GLY A 63 5.229 2.343 7.480 1.00 0.00 N ATOM 925 CA GLY A 63 5.861 3.627 7.238 1.00 0.00 C ATOM 926 C GLY A 63 6.135 3.871 5.767 1.00 0.00 C ATOM 927 O GLY A 63 6.294 5.014 5.340 1.00 0.00 O ATOM 0 H GLY A 63 4.261 2.276 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.221 4.421 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.798 3.677 7.792 1.00 0.00 H new ATOM 931 N ASP A 64 6.191 2.794 4.991 1.00 0.00 N ATOM 932 CA ASP A 64 6.449 2.896 3.560 1.00 0.00 C ATOM 933 C ASP A 64 5.248 3.493 2.833 1.00 0.00 C ATOM 934 O ASP A 64 4.191 2.868 2.743 1.00 0.00 O ATOM 935 CB ASP A 64 6.778 1.519 2.980 1.00 0.00 C ATOM 936 CG ASP A 64 8.248 1.370 2.643 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.667 1.873 1.580 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.980 0.748 3.442 1.00 0.00 O ATOM 0 H ASP A 64 6.061 1.841 5.329 1.00 0.00 H new ATOM 0 HA ASP A 64 7.304 3.556 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.492 0.749 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.184 1.355 2.081 1.00 0.00 H new ATOM 943 N GLN A 65 5.418 4.707 2.318 1.00 0.00 N ATOM 944 CA GLN A 65 4.347 5.389 1.601 1.00 0.00 C ATOM 945 C GLN A 65 3.739 4.481 0.538 1.00 0.00 C ATOM 946 O GLN A 65 4.430 4.027 -0.375 1.00 0.00 O ATOM 947 CB GLN A 65 4.874 6.671 0.953 1.00 0.00 C ATOM 948 CG GLN A 65 3.778 7.576 0.415 1.00 0.00 C ATOM 949 CD GLN A 65 4.238 8.413 -0.762 1.00 0.00 C ATOM 950 OE1 GLN A 65 5.423 8.725 -0.892 1.00 0.00 O ATOM 951 NE2 GLN A 65 3.302 8.783 -1.628 1.00 0.00 N ATOM 0 H GLN A 65 6.286 5.238 2.384 1.00 0.00 H new ATOM 0 HA GLN A 65 3.570 5.647 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.462 7.223 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.547 6.406 0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.926 6.968 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.432 8.235 1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.332 8.502 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.553 9.348 -2.439 1.00 0.00 H new ATOM 960 N LEU A 66 2.443 4.218 0.663 1.00 0.00 N ATOM 961 CA LEU A 66 1.740 3.363 -0.288 1.00 0.00 C ATOM 962 C LEU A 66 1.542 4.078 -1.621 1.00 0.00 C ATOM 963 O LEU A 66 1.747 5.287 -1.725 1.00 0.00 O ATOM 964 CB LEU A 66 0.386 2.938 0.282 1.00 0.00 C ATOM 965 CG LEU A 66 0.337 1.558 0.939 1.00 0.00 C ATOM 966 CD1 LEU A 66 1.564 1.338 1.811 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.936 1.402 1.758 1.00 0.00 C ATOM 0 H LEU A 66 1.857 4.584 1.413 1.00 0.00 H new ATOM 0 HA LEU A 66 2.349 2.476 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.075 3.680 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.348 2.961 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 66 0.335 0.803 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.512 0.351 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.463 1.406 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.598 2.099 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.954 0.414 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.964 2.165 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.803 1.515 1.107 1.00 0.00 H new ATOM 979 N VAL A 67 1.141 3.322 -2.638 1.00 0.00 N ATOM 980 CA VAL A 67 0.911 3.884 -3.964 1.00 0.00 C ATOM 981 C VAL A 67 -0.373 3.337 -4.577 1.00 0.00 C ATOM 982 O VAL A 67 -1.100 4.055 -5.264 1.00 0.00 O ATOM 983 CB VAL A 67 2.088 3.585 -4.911 1.00 0.00 C ATOM 984 CG1 VAL A 67 1.802 4.123 -6.305 1.00 0.00 C ATOM 985 CG2 VAL A 67 3.379 4.172 -4.359 1.00 0.00 C ATOM 0 H VAL A 67 0.969 2.319 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 67 0.819 4.963 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 67 2.208 2.504 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.645 3.902 -6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.902 3.651 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.654 5.202 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.200 3.951 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.273 5.252 -4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.590 3.734 -3.383 1.00 0.00 H new ATOM 995 N SER A 68 -0.646 2.061 -4.325 1.00 0.00 N ATOM 996 CA SER A 68 -1.841 1.416 -4.856 1.00 0.00 C ATOM 997 C SER A 68 -1.821 -0.083 -4.572 1.00 0.00 C ATOM 998 O SER A 68 -0.769 -0.721 -4.621 1.00 0.00 O ATOM 999 CB SER A 68 -1.952 1.660 -6.362 1.00 0.00 C ATOM 1000 OG SER A 68 -0.673 1.682 -6.971 1.00 0.00 O ATOM 0 H SER A 68 -0.056 1.453 -3.757 1.00 0.00 H new ATOM 0 HA SER A 68 -2.709 1.851 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.561 0.878 -6.816 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.461 2.607 -6.544 1.00 0.00 H new ATOM 0 HG SER A 68 -0.772 1.838 -7.933 1.00 0.00 H new ATOM 1006 N ILE A 69 -2.991 -0.638 -4.276 1.00 0.00 N ATOM 1007 CA ILE A 69 -3.109 -2.062 -3.985 1.00 0.00 C ATOM 1008 C ILE A 69 -3.890 -2.783 -5.078 1.00 0.00 C ATOM 1009 O ILE A 69 -4.983 -2.362 -5.455 1.00 0.00 O ATOM 1010 CB ILE A 69 -3.799 -2.305 -2.630 1.00 0.00 C ATOM 1011 CG1 ILE A 69 -2.951 -1.735 -1.491 1.00 0.00 C ATOM 1012 CG2 ILE A 69 -4.048 -3.791 -2.421 1.00 0.00 C ATOM 1013 CD1 ILE A 69 -1.951 -2.723 -0.931 1.00 0.00 C ATOM 0 H ILE A 69 -3.871 -0.124 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.095 -2.461 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.761 -1.793 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.418 -0.855 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.610 -1.403 -0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.536 -3.946 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.689 -4.168 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.098 -4.325 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.385 -2.252 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.479 -3.593 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.268 -3.037 -1.721 1.00 0.00 H new ATOM 1025 N ASN A 70 -3.323 -3.874 -5.581 1.00 0.00 N ATOM 1026 CA ASN A 70 -3.967 -4.656 -6.631 1.00 0.00 C ATOM 1027 C ASN A 70 -4.145 -3.824 -7.897 1.00 0.00 C ATOM 1028 O ASN A 70 -3.426 -4.007 -8.880 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.325 -5.171 -6.150 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.194 -6.342 -5.195 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -5.151 -6.162 -3.978 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -5.130 -7.549 -5.744 1.00 0.00 N ATOM 0 H ASN A 70 -2.419 -4.237 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.325 -5.506 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.863 -4.362 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.922 -5.473 -7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.041 -8.375 -5.152 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.169 -7.651 -6.758 1.00 0.00 H new ATOM 1039 N LYS A 71 -5.108 -2.909 -7.867 1.00 0.00 N ATOM 1040 CA LYS A 71 -5.380 -2.046 -9.010 1.00 0.00 C ATOM 1041 C LYS A 71 -6.189 -0.824 -8.589 1.00 0.00 C ATOM 1042 O LYS A 71 -7.031 -0.336 -9.342 1.00 0.00 O ATOM 1043 CB LYS A 71 -6.135 -2.823 -10.092 1.00 0.00 C ATOM 1044 CG LYS A 71 -7.567 -3.159 -9.712 1.00 0.00 C ATOM 1045 CD LYS A 71 -7.624 -4.298 -8.708 1.00 0.00 C ATOM 1046 CE LYS A 71 -9.057 -4.620 -8.312 1.00 0.00 C ATOM 1047 NZ LYS A 71 -9.185 -4.878 -6.851 1.00 0.00 N ATOM 0 H LYS A 71 -5.714 -2.746 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.426 -1.706 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.140 -2.238 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.598 -3.747 -10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.049 -2.277 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.127 -3.432 -10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.155 -5.185 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.051 -4.031 -7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.706 -3.790 -8.592 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.399 -5.494 -8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.176 -5.094 -6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.585 -5.686 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.883 -4.035 -6.322 1.00 0.00 H new ATOM 1061 N GLU A 72 -5.927 -0.333 -7.382 1.00 0.00 N ATOM 1062 CA GLU A 72 -6.631 0.833 -6.862 1.00 0.00 C ATOM 1063 C GLU A 72 -5.663 1.986 -6.611 1.00 0.00 C ATOM 1064 O GLU A 72 -4.477 1.896 -6.931 1.00 0.00 O ATOM 1065 CB GLU A 72 -7.365 0.478 -5.568 1.00 0.00 C ATOM 1066 CG GLU A 72 -8.754 -0.096 -5.794 1.00 0.00 C ATOM 1067 CD GLU A 72 -9.823 0.976 -5.871 1.00 0.00 C ATOM 1068 OE1 GLU A 72 -10.054 1.659 -4.851 1.00 0.00 O ATOM 1069 OE2 GLU A 72 -10.429 1.133 -6.952 1.00 0.00 O ATOM 0 H GLU A 72 -5.232 -0.725 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.359 1.149 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.769 -0.243 -5.009 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.447 1.372 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.758 -0.675 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.994 -0.786 -4.985 1.00 0.00 H new ATOM 1076 N SER A 73 -6.177 3.068 -6.036 1.00 0.00 N ATOM 1077 CA SER A 73 -5.360 4.241 -5.746 1.00 0.00 C ATOM 1078 C SER A 73 -5.385 4.564 -4.255 1.00 0.00 C ATOM 1079 O SER A 73 -6.363 4.280 -3.563 1.00 0.00 O ATOM 1080 CB SER A 73 -5.856 5.445 -6.549 1.00 0.00 C ATOM 1081 OG SER A 73 -4.784 6.091 -7.213 1.00 0.00 O ATOM 0 H SER A 73 -7.155 3.157 -5.762 1.00 0.00 H new ATOM 0 HA SER A 73 -4.333 4.019 -6.035 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.597 5.119 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.354 6.150 -5.883 1.00 0.00 H new ATOM 0 HG SER A 73 -5.127 6.856 -7.721 1.00 0.00 H new ATOM 1087 N MET A 74 -4.302 5.160 -3.767 1.00 0.00 N ATOM 1088 CA MET A 74 -4.199 5.524 -2.359 1.00 0.00 C ATOM 1089 C MET A 74 -3.824 6.994 -2.202 1.00 0.00 C ATOM 1090 O MET A 74 -4.219 7.645 -1.235 1.00 0.00 O ATOM 1091 CB MET A 74 -3.163 4.644 -1.657 1.00 0.00 C ATOM 1092 CG MET A 74 -3.439 3.155 -1.791 1.00 0.00 C ATOM 1093 SD MET A 74 -5.022 2.675 -1.072 1.00 0.00 S ATOM 1094 CE MET A 74 -4.499 1.416 0.089 1.00 0.00 C ATOM 0 H MET A 74 -3.484 5.401 -4.326 1.00 0.00 H new ATOM 0 HA MET A 74 -5.173 5.365 -1.897 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.177 4.861 -2.067 1.00 0.00 H new ATOM 0 HB3 MET A 74 -3.133 4.906 -0.599 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.425 2.880 -2.846 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.639 2.596 -1.305 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.335 0.752 0.307 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.681 0.840 -0.343 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.162 1.889 1.011 1.00 0.00 H new ATOM 1104 N ILE A 75 -3.061 7.510 -3.160 1.00 0.00 N ATOM 1105 CA ILE A 75 -2.634 8.904 -3.128 1.00 0.00 C ATOM 1106 C ILE A 75 -3.834 9.845 -3.111 1.00 0.00 C ATOM 1107 O ILE A 75 -4.744 9.723 -3.930 1.00 0.00 O ATOM 1108 CB ILE A 75 -1.743 9.247 -4.335 1.00 0.00 C ATOM 1109 CG1 ILE A 75 -0.552 8.289 -4.407 1.00 0.00 C ATOM 1110 CG2 ILE A 75 -1.265 10.689 -4.248 1.00 0.00 C ATOM 1111 CD1 ILE A 75 0.315 8.309 -3.168 1.00 0.00 C ATOM 0 H ILE A 75 -2.726 6.984 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.058 9.038 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.332 9.134 -5.245 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.920 7.276 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.059 8.546 -5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.636 10.916 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.126 11.358 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.690 10.827 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.139 7.606 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.713 9.313 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.281 8.023 -2.302 1.00 0.00 H new ATOM 1123 N GLY A 76 -3.827 10.787 -2.173 1.00 0.00 N ATOM 1124 CA GLY A 76 -4.918 11.738 -2.068 1.00 0.00 C ATOM 1125 C GLY A 76 -6.272 11.060 -1.994 1.00 0.00 C ATOM 1126 O GLY A 76 -7.181 11.387 -2.758 1.00 0.00 O ATOM 0 H GLY A 76 -3.085 10.909 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.775 12.354 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.897 12.407 -2.928 1.00 0.00 H new ATOM 1130 N VAL A 77 -6.408 10.112 -1.073 1.00 0.00 N ATOM 1131 CA VAL A 77 -7.661 9.386 -0.902 1.00 0.00 C ATOM 1132 C VAL A 77 -8.107 9.394 0.556 1.00 0.00 C ATOM 1133 O VAL A 77 -7.323 9.701 1.454 1.00 0.00 O ATOM 1134 CB VAL A 77 -7.534 7.927 -1.380 1.00 0.00 C ATOM 1135 CG1 VAL A 77 -7.041 7.036 -0.250 1.00 0.00 C ATOM 1136 CG2 VAL A 77 -8.863 7.427 -1.923 1.00 0.00 C ATOM 0 H VAL A 77 -5.666 9.828 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.408 9.897 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.801 7.889 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.957 6.009 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.065 7.383 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.747 7.076 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.755 6.395 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.619 7.478 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.170 8.049 -2.764 1.00 0.00 H new ATOM 1146 N SER A 78 -9.372 9.055 0.784 1.00 0.00 N ATOM 1147 CA SER A 78 -9.925 9.027 2.133 1.00 0.00 C ATOM 1148 C SER A 78 -9.410 7.816 2.905 1.00 0.00 C ATOM 1149 O SER A 78 -9.354 6.705 2.377 1.00 0.00 O ATOM 1150 CB SER A 78 -11.453 9.000 2.080 1.00 0.00 C ATOM 1151 OG SER A 78 -11.996 10.279 2.359 1.00 0.00 O ATOM 0 H SER A 78 -10.033 8.796 0.052 1.00 0.00 H new ATOM 0 HA SER A 78 -9.603 9.931 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.780 8.670 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.832 8.275 2.801 1.00 0.00 H new ATOM 0 HG SER A 78 -12.974 10.235 2.317 1.00 0.00 H new ATOM 1157 N PHE A 79 -9.034 8.039 4.160 1.00 0.00 N ATOM 1158 CA PHE A 79 -8.522 6.968 5.007 1.00 0.00 C ATOM 1159 C PHE A 79 -9.374 5.709 4.866 1.00 0.00 C ATOM 1160 O PHE A 79 -8.854 4.620 4.627 1.00 0.00 O ATOM 1161 CB PHE A 79 -8.492 7.415 6.470 1.00 0.00 C ATOM 1162 CG PHE A 79 -8.114 6.319 7.424 1.00 0.00 C ATOM 1163 CD1 PHE A 79 -6.893 5.673 7.310 1.00 0.00 C ATOM 1164 CD2 PHE A 79 -8.979 5.934 8.436 1.00 0.00 C ATOM 1165 CE1 PHE A 79 -6.543 4.664 8.187 1.00 0.00 C ATOM 1166 CE2 PHE A 79 -8.634 4.925 9.316 1.00 0.00 C ATOM 1167 CZ PHE A 79 -7.414 4.290 9.192 1.00 0.00 C ATOM 0 H PHE A 79 -9.074 8.952 4.613 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.507 6.738 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.785 8.238 6.576 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.474 7.801 6.744 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.207 5.961 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.934 6.428 8.538 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.589 4.168 8.087 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.318 4.634 10.100 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.141 3.503 9.879 1.00 0.00 H new ATOM 1177 N GLU A 80 -10.685 5.869 5.015 1.00 0.00 N ATOM 1178 CA GLU A 80 -11.608 4.746 4.906 1.00 0.00 C ATOM 1179 C GLU A 80 -11.471 4.059 3.550 1.00 0.00 C ATOM 1180 O GLU A 80 -11.497 2.832 3.459 1.00 0.00 O ATOM 1181 CB GLU A 80 -13.049 5.219 5.106 1.00 0.00 C ATOM 1182 CG GLU A 80 -13.273 5.946 6.422 1.00 0.00 C ATOM 1183 CD GLU A 80 -14.717 6.364 6.619 1.00 0.00 C ATOM 1184 OE1 GLU A 80 -15.602 5.483 6.574 1.00 0.00 O ATOM 1185 OE2 GLU A 80 -14.963 7.572 6.819 1.00 0.00 O ATOM 0 H GLU A 80 -11.131 6.765 5.211 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.358 4.027 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.323 5.880 4.284 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.715 4.358 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.970 5.300 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.635 6.829 6.458 1.00 0.00 H new ATOM 1192 N GLU A 81 -11.326 4.860 2.499 1.00 0.00 N ATOM 1193 CA GLU A 81 -11.186 4.330 1.148 1.00 0.00 C ATOM 1194 C GLU A 81 -9.965 3.421 1.044 1.00 0.00 C ATOM 1195 O GLU A 81 -10.078 2.250 0.684 1.00 0.00 O ATOM 1196 CB GLU A 81 -11.073 5.473 0.137 1.00 0.00 C ATOM 1197 CG GLU A 81 -11.903 5.259 -1.118 1.00 0.00 C ATOM 1198 CD GLU A 81 -13.374 5.556 -0.902 1.00 0.00 C ATOM 1199 OE1 GLU A 81 -13.853 5.380 0.238 1.00 0.00 O ATOM 1200 OE2 GLU A 81 -14.046 5.963 -1.872 1.00 0.00 O ATOM 0 H GLU A 81 -11.302 5.878 2.557 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.075 3.742 0.922 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.385 6.402 0.615 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.027 5.595 -0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.521 5.897 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.790 4.228 -1.453 1.00 0.00 H new ATOM 1207 N ALA A 82 -8.797 3.971 1.361 1.00 0.00 N ATOM 1208 CA ALA A 82 -7.555 3.211 1.304 1.00 0.00 C ATOM 1209 C ALA A 82 -7.678 1.899 2.073 1.00 0.00 C ATOM 1210 O ALA A 82 -7.202 0.857 1.623 1.00 0.00 O ATOM 1211 CB ALA A 82 -6.403 4.040 1.854 1.00 0.00 C ATOM 0 H ALA A 82 -8.686 4.940 1.660 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.352 2.973 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.482 3.460 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.292 4.948 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.609 4.307 2.890 1.00 0.00 H new ATOM 1217 N LYS A 83 -8.320 1.958 3.235 1.00 0.00 N ATOM 1218 CA LYS A 83 -8.507 0.775 4.067 1.00 0.00 C ATOM 1219 C LYS A 83 -9.611 -0.115 3.506 1.00 0.00 C ATOM 1220 O LYS A 83 -9.591 -1.333 3.685 1.00 0.00 O ATOM 1221 CB LYS A 83 -8.846 1.184 5.502 1.00 0.00 C ATOM 1222 CG LYS A 83 -8.027 0.454 6.552 1.00 0.00 C ATOM 1223 CD LYS A 83 -8.813 0.263 7.838 1.00 0.00 C ATOM 1224 CE LYS A 83 -7.905 0.314 9.058 1.00 0.00 C ATOM 1225 NZ LYS A 83 -7.624 -1.046 9.597 1.00 0.00 N ATOM 0 H LYS A 83 -8.720 2.813 3.622 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.575 0.210 4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.689 2.257 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.904 0.997 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.720 -0.517 6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.117 1.016 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.576 1.037 7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.333 -0.695 7.809 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.966 0.800 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.371 0.923 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.002 -0.969 10.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.517 -1.501 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.156 -1.619 8.866 1.00 0.00 H new ATOM 1239 N SER A 84 -10.573 0.500 2.825 1.00 0.00 N ATOM 1240 CA SER A 84 -11.687 -0.237 2.240 1.00 0.00 C ATOM 1241 C SER A 84 -11.210 -1.118 1.089 1.00 0.00 C ATOM 1242 O SER A 84 -11.672 -2.248 0.926 1.00 0.00 O ATOM 1243 CB SER A 84 -12.762 0.732 1.744 1.00 0.00 C ATOM 1244 OG SER A 84 -13.937 0.037 1.363 1.00 0.00 O ATOM 0 H SER A 84 -10.603 1.507 2.665 1.00 0.00 H new ATOM 0 HA SER A 84 -12.113 -0.877 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.999 1.450 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.381 1.301 0.896 1.00 0.00 H new ATOM 0 HG SER A 84 -14.610 0.678 1.051 1.00 0.00 H new ATOM 1250 N ILE A 85 -10.285 -0.592 0.294 1.00 0.00 N ATOM 1251 CA ILE A 85 -9.745 -1.331 -0.841 1.00 0.00 C ATOM 1252 C ILE A 85 -9.256 -2.711 -0.417 1.00 0.00 C ATOM 1253 O ILE A 85 -9.691 -3.728 -0.958 1.00 0.00 O ATOM 1254 CB ILE A 85 -8.583 -0.569 -1.506 1.00 0.00 C ATOM 1255 CG1 ILE A 85 -9.116 0.619 -2.308 1.00 0.00 C ATOM 1256 CG2 ILE A 85 -7.781 -1.503 -2.402 1.00 0.00 C ATOM 1257 CD1 ILE A 85 -8.411 1.922 -1.999 1.00 0.00 C ATOM 0 H ILE A 85 -9.894 0.342 0.414 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.556 -1.442 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.923 -0.190 -0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.015 0.404 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.181 0.735 -2.106 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.964 -0.950 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.375 -2.320 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.430 -1.909 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.841 2.721 -2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.534 2.161 -0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.350 1.825 -2.228 1.00 0.00 H new ATOM 1269 N ILE A 86 -8.351 -2.740 0.556 1.00 0.00 N ATOM 1270 CA ILE A 86 -7.806 -3.996 1.055 1.00 0.00 C ATOM 1271 C ILE A 86 -8.919 -4.978 1.403 1.00 0.00 C ATOM 1272 O ILE A 86 -8.989 -6.077 0.851 1.00 0.00 O ATOM 1273 CB ILE A 86 -6.926 -3.773 2.299 1.00 0.00 C ATOM 1274 CG1 ILE A 86 -5.668 -2.985 1.926 1.00 0.00 C ATOM 1275 CG2 ILE A 86 -6.554 -5.106 2.931 1.00 0.00 C ATOM 1276 CD1 ILE A 86 -5.144 -2.117 3.048 1.00 0.00 C ATOM 0 H ILE A 86 -7.980 -1.908 1.014 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.193 -4.413 0.256 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.493 -3.193 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.888 -3.684 1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.886 -2.356 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.932 -4.931 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.461 -5.634 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.003 -5.709 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.252 -1.588 2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.908 -1.394 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.894 -2.742 3.905 1.00 0.00 H new ATOM 1288 N THR A 87 -9.790 -4.575 2.323 1.00 0.00 N ATOM 1289 CA THR A 87 -10.901 -5.419 2.745 1.00 0.00 C ATOM 1290 C THR A 87 -11.876 -5.659 1.598 1.00 0.00 C ATOM 1291 O THR A 87 -12.629 -6.633 1.604 1.00 0.00 O ATOM 1292 CB THR A 87 -11.663 -4.794 3.929 1.00 0.00 C ATOM 1293 OG1 THR A 87 -12.769 -5.627 4.294 1.00 0.00 O ATOM 1294 CG2 THR A 87 -12.165 -3.402 3.576 1.00 0.00 C ATOM 0 H THR A 87 -9.747 -3.669 2.790 1.00 0.00 H new ATOM 0 HA THR A 87 -10.473 -6.371 3.059 1.00 0.00 H new ATOM 0 HB THR A 87 -10.976 -4.712 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.247 -5.224 5.048 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.700 -2.981 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.318 -2.762 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.837 -3.464 2.720 1.00 0.00 H new ATOM 1302 N ARG A 88 -11.858 -4.765 0.615 1.00 0.00 N ATOM 1303 CA ARG A 88 -12.741 -4.880 -0.539 1.00 0.00 C ATOM 1304 C ARG A 88 -12.155 -5.829 -1.580 1.00 0.00 C ATOM 1305 O ARG A 88 -12.855 -6.283 -2.484 1.00 0.00 O ATOM 1306 CB ARG A 88 -12.979 -3.504 -1.165 1.00 0.00 C ATOM 1307 CG ARG A 88 -13.995 -2.661 -0.412 1.00 0.00 C ATOM 1308 CD ARG A 88 -15.337 -2.635 -1.125 1.00 0.00 C ATOM 1309 NE ARG A 88 -16.210 -3.721 -0.689 1.00 0.00 N ATOM 1310 CZ ARG A 88 -17.452 -3.888 -1.129 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -17.964 -3.044 -2.014 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -18.185 -4.901 -0.684 1.00 0.00 N ATOM 0 H ARG A 88 -11.241 -3.953 0.595 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.693 -5.286 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.033 -2.965 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.318 -3.635 -2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.125 -3.059 0.595 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.618 -1.644 -0.307 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.827 -1.679 -0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.177 -2.708 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.846 -4.388 -0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.404 -2.264 -2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.918 -3.174 -2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.795 -5.553 -0.003 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.139 -5.028 -1.023 1.00 0.00 H new ATOM 1326 N ALA A 89 -10.866 -6.125 -1.445 1.00 0.00 N ATOM 1327 CA ALA A 89 -10.186 -7.021 -2.372 1.00 0.00 C ATOM 1328 C ALA A 89 -10.942 -8.337 -2.516 1.00 0.00 C ATOM 1329 O ALA A 89 -11.781 -8.679 -1.682 1.00 0.00 O ATOM 1330 CB ALA A 89 -8.760 -7.276 -1.909 1.00 0.00 C ATOM 0 H ALA A 89 -10.272 -5.757 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.157 -6.540 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.264 -7.947 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.218 -6.332 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.775 -7.733 -0.919 1.00 0.00 H new ATOM 1336 N LYS A 90 -10.639 -9.074 -3.580 1.00 0.00 N ATOM 1337 CA LYS A 90 -11.289 -10.355 -3.834 1.00 0.00 C ATOM 1338 C LYS A 90 -10.798 -11.417 -2.856 1.00 0.00 C ATOM 1339 O LYS A 90 -11.564 -12.280 -2.425 1.00 0.00 O ATOM 1340 CB LYS A 90 -11.024 -10.808 -5.271 1.00 0.00 C ATOM 1341 CG LYS A 90 -11.968 -10.191 -6.288 1.00 0.00 C ATOM 1342 CD LYS A 90 -11.809 -10.829 -7.657 1.00 0.00 C ATOM 1343 CE LYS A 90 -10.528 -10.373 -8.340 1.00 0.00 C ATOM 1344 NZ LYS A 90 -9.818 -11.504 -8.999 1.00 0.00 N ATOM 0 H LYS A 90 -9.947 -8.806 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.362 -10.225 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.998 -10.555 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.108 -11.894 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.997 -10.309 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.777 -9.120 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.802 -11.914 -7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.666 -10.573 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.764 -9.610 -9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.870 -9.910 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.951 -11.152 -9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.570 -12.220 -8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.437 -11.930 -9.718 1.00 0.00 H new ATOM 1358 N LEU A 91 -9.518 -11.348 -2.508 1.00 0.00 N ATOM 1359 CA LEU A 91 -8.925 -12.304 -1.579 1.00 0.00 C ATOM 1360 C LEU A 91 -9.579 -13.675 -1.716 1.00 0.00 C ATOM 1361 O LEU A 91 -10.129 -14.211 -0.754 1.00 0.00 O ATOM 1362 CB LEU A 91 -9.066 -11.801 -0.141 1.00 0.00 C ATOM 1363 CG LEU A 91 -10.253 -10.877 0.134 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -11.463 -11.682 0.583 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -9.886 -9.834 1.180 1.00 0.00 C ATOM 0 H LEU A 91 -8.871 -10.640 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.867 -12.401 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.144 -12.665 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.151 -11.274 0.130 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.509 -10.360 -0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -12.298 -11.008 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.740 -12.390 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -11.220 -12.226 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.743 -9.185 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.604 -10.332 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.049 -9.236 0.820 1.00 0.00 H new ATOM 1377 N ARG A 92 -9.514 -14.238 -2.919 1.00 0.00 N ATOM 1378 CA ARG A 92 -10.100 -15.547 -3.182 1.00 0.00 C ATOM 1379 C ARG A 92 -9.866 -15.965 -4.631 1.00 0.00 C ATOM 1380 O ARG A 92 -10.725 -16.588 -5.254 1.00 0.00 O ATOM 1381 CB ARG A 92 -11.599 -15.529 -2.881 1.00 0.00 C ATOM 1382 CG ARG A 92 -12.170 -16.897 -2.545 1.00 0.00 C ATOM 1383 CD ARG A 92 -12.549 -16.997 -1.076 1.00 0.00 C ATOM 1384 NE ARG A 92 -12.124 -18.263 -0.486 1.00 0.00 N ATOM 1385 CZ ARG A 92 -10.902 -18.479 -0.011 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -9.990 -17.518 -0.056 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -10.591 -19.658 0.512 1.00 0.00 N ATOM 0 H ARG A 92 -9.062 -13.808 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.615 -16.272 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.785 -14.852 -2.047 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.129 -15.125 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.048 -17.088 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.438 -17.667 -2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.096 -16.171 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.629 -16.893 -0.972 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.802 -19.023 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.225 -16.610 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.053 -17.687 0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.290 -20.400 0.550 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.653 -19.823 0.876 1.00 0.00 H new ATOM 1401 N SER A 93 -8.697 -15.618 -5.160 1.00 0.00 N ATOM 1402 CA SER A 93 -8.351 -15.954 -6.537 1.00 0.00 C ATOM 1403 C SER A 93 -6.870 -16.297 -6.657 1.00 0.00 C ATOM 1404 O SER A 93 -6.152 -16.349 -5.659 1.00 0.00 O ATOM 1405 CB SER A 93 -8.694 -14.790 -7.469 1.00 0.00 C ATOM 1406 OG SER A 93 -9.731 -15.145 -8.368 1.00 0.00 O ATOM 0 H SER A 93 -7.974 -15.105 -4.657 1.00 0.00 H new ATOM 0 HA SER A 93 -8.933 -16.828 -6.829 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.000 -13.926 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.807 -14.496 -8.030 1.00 0.00 H new ATOM 0 HG SER A 93 -9.933 -14.384 -8.951 1.00 0.00 H new ATOM 1412 N GLU A 94 -6.420 -16.530 -7.886 1.00 0.00 N ATOM 1413 CA GLU A 94 -5.024 -16.869 -8.137 1.00 0.00 C ATOM 1414 C GLU A 94 -4.149 -15.619 -8.116 1.00 0.00 C ATOM 1415 O GLU A 94 -3.167 -15.548 -7.376 1.00 0.00 O ATOM 1416 CB GLU A 94 -4.883 -17.581 -9.483 1.00 0.00 C ATOM 1417 CG GLU A 94 -3.745 -18.586 -9.524 1.00 0.00 C ATOM 1418 CD GLU A 94 -3.440 -19.067 -10.929 1.00 0.00 C ATOM 1419 OE1 GLU A 94 -4.394 -19.232 -11.719 1.00 0.00 O ATOM 1420 OE2 GLU A 94 -2.250 -19.278 -11.240 1.00 0.00 O ATOM 0 H GLU A 94 -7.002 -16.490 -8.723 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.691 -17.538 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.817 -18.093 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.727 -16.836 -10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.850 -18.133 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.999 -19.442 -8.898 1.00 0.00 H new ATOM 1427 N SER A 95 -4.511 -14.636 -8.933 1.00 0.00 N ATOM 1428 CA SER A 95 -3.757 -13.390 -9.013 1.00 0.00 C ATOM 1429 C SER A 95 -3.204 -13.002 -7.645 1.00 0.00 C ATOM 1430 O SER A 95 -3.924 -12.950 -6.648 1.00 0.00 O ATOM 1431 CB SER A 95 -4.643 -12.267 -9.555 1.00 0.00 C ATOM 1432 OG SER A 95 -3.952 -11.493 -10.521 1.00 0.00 O ATOM 0 H SER A 95 -5.322 -14.678 -9.550 1.00 0.00 H new ATOM 0 HA SER A 95 -2.920 -13.543 -9.694 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.542 -12.692 -10.001 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.966 -11.626 -8.734 1.00 0.00 H new ATOM 0 HG SER A 95 -4.540 -10.783 -10.853 1.00 0.00 H new ATOM 1438 N PRO A 96 -1.893 -12.722 -7.595 1.00 0.00 N ATOM 1439 CA PRO A 96 -1.213 -12.333 -6.357 1.00 0.00 C ATOM 1440 C PRO A 96 -1.627 -10.945 -5.879 1.00 0.00 C ATOM 1441 O PRO A 96 -2.560 -10.347 -6.415 1.00 0.00 O ATOM 1442 CB PRO A 96 0.267 -12.345 -6.746 1.00 0.00 C ATOM 1443 CG PRO A 96 0.274 -12.112 -8.217 1.00 0.00 C ATOM 1444 CD PRO A 96 -0.974 -12.763 -8.745 1.00 0.00 C ATOM 0 HA PRO A 96 -1.456 -13.002 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.821 -11.568 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.735 -13.297 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.284 -11.046 -8.443 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.163 -12.543 -8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.378 -12.223 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.786 -13.785 -9.073 1.00 0.00 H new ATOM 1452 N TRP A 97 -0.927 -10.439 -4.870 1.00 0.00 N ATOM 1453 CA TRP A 97 -1.223 -9.120 -4.321 1.00 0.00 C ATOM 1454 C TRP A 97 -0.263 -8.073 -4.874 1.00 0.00 C ATOM 1455 O TRP A 97 0.940 -8.128 -4.623 1.00 0.00 O ATOM 1456 CB TRP A 97 -1.139 -9.151 -2.794 1.00 0.00 C ATOM 1457 CG TRP A 97 -2.270 -9.896 -2.152 1.00 0.00 C ATOM 1458 CD1 TRP A 97 -2.173 -10.965 -1.308 1.00 0.00 C ATOM 1459 CD2 TRP A 97 -3.669 -9.629 -2.305 1.00 0.00 C ATOM 1460 NE1 TRP A 97 -3.426 -11.378 -0.926 1.00 0.00 N ATOM 1461 CE2 TRP A 97 -4.361 -10.575 -1.524 1.00 0.00 C ATOM 1462 CE3 TRP A 97 -4.403 -8.682 -3.024 1.00 0.00 C ATOM 1463 CZ2 TRP A 97 -5.751 -10.600 -1.444 1.00 0.00 C ATOM 1464 CZ3 TRP A 97 -5.782 -8.709 -2.944 1.00 0.00 C ATOM 1465 CH2 TRP A 97 -6.445 -9.661 -2.158 1.00 0.00 C ATOM 0 H TRP A 97 -0.151 -10.921 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 97 -2.236 -8.849 -4.617 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.196 -9.611 -2.498 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -1.127 -8.128 -2.417 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.247 -11.419 -0.988 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.628 -12.157 -0.299 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.902 -7.943 -3.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.263 -11.334 -0.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.359 -7.983 -3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -7.524 -9.654 -2.115 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.803 -7.120 -5.628 1.00 0.00 N ATOM 1477 CA GLU A 98 0.007 -6.061 -6.216 1.00 0.00 C ATOM 1478 C GLU A 98 0.242 -4.934 -5.214 1.00 0.00 C ATOM 1479 O GLU A 98 -0.620 -4.077 -5.016 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.670 -5.508 -7.472 1.00 0.00 C ATOM 1481 CG GLU A 98 0.291 -4.825 -8.432 1.00 0.00 C ATOM 1482 CD GLU A 98 0.187 -5.366 -9.844 1.00 0.00 C ATOM 1483 OE1 GLU A 98 -0.912 -5.290 -10.430 1.00 0.00 O ATOM 1484 OE2 GLU A 98 1.207 -5.866 -10.364 1.00 0.00 O ATOM 0 H GLU A 98 -1.798 -7.060 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 98 0.972 -6.487 -6.490 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.172 -6.323 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.441 -4.797 -7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.089 -3.754 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.312 -4.954 -8.072 1.00 0.00 H new ATOM 1491 N ILE A 99 1.412 -4.944 -4.585 1.00 0.00 N ATOM 1492 CA ILE A 99 1.760 -3.924 -3.604 1.00 0.00 C ATOM 1493 C ILE A 99 2.744 -2.914 -4.186 1.00 0.00 C ATOM 1494 O ILE A 99 3.853 -3.271 -4.582 1.00 0.00 O ATOM 1495 CB ILE A 99 2.372 -4.548 -2.336 1.00 0.00 C ATOM 1496 CG1 ILE A 99 1.283 -5.217 -1.495 1.00 0.00 C ATOM 1497 CG2 ILE A 99 3.100 -3.488 -1.523 1.00 0.00 C ATOM 1498 CD1 ILE A 99 1.483 -6.707 -1.324 1.00 0.00 C ATOM 0 H ILE A 99 2.135 -5.647 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 99 0.834 -3.414 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 99 3.094 -5.309 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 99 1.254 -4.747 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.314 -5.040 -1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.527 -3.944 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.897 -3.052 -2.125 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.398 -2.707 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.675 -7.115 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.482 -7.189 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.437 -6.892 -0.829 1.00 0.00 H new ATOM 1510 N ALA A 100 2.330 -1.652 -4.233 1.00 0.00 N ATOM 1511 CA ALA A 100 3.176 -0.590 -4.763 1.00 0.00 C ATOM 1512 C ALA A 100 3.519 0.429 -3.682 1.00 0.00 C ATOM 1513 O ALA A 100 2.631 0.998 -3.046 1.00 0.00 O ATOM 1514 CB ALA A 100 2.492 0.093 -5.938 1.00 0.00 C ATOM 0 H ALA A 100 1.414 -1.340 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 100 4.106 -1.039 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.135 0.884 -6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.304 -0.638 -6.725 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.546 0.523 -5.609 1.00 0.00 H new ATOM 1520 N PHE A 101 4.812 0.656 -3.477 1.00 0.00 N ATOM 1521 CA PHE A 101 5.272 1.606 -2.471 1.00 0.00 C ATOM 1522 C PHE A 101 6.578 2.267 -2.904 1.00 0.00 C ATOM 1523 O PHE A 101 7.051 2.058 -4.022 1.00 0.00 O ATOM 1524 CB PHE A 101 5.465 0.903 -1.126 1.00 0.00 C ATOM 1525 CG PHE A 101 6.362 -0.300 -1.201 1.00 0.00 C ATOM 1526 CD1 PHE A 101 5.960 -1.439 -1.880 1.00 0.00 C ATOM 1527 CD2 PHE A 101 7.606 -0.291 -0.592 1.00 0.00 C ATOM 1528 CE1 PHE A 101 6.783 -2.547 -1.951 1.00 0.00 C ATOM 1529 CE2 PHE A 101 8.434 -1.397 -0.660 1.00 0.00 C ATOM 1530 CZ PHE A 101 8.021 -2.526 -1.340 1.00 0.00 C ATOM 0 H PHE A 101 5.560 0.195 -3.994 1.00 0.00 H new ATOM 0 HA PHE A 101 4.512 2.380 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.881 1.612 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.492 0.597 -0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.992 -1.461 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.933 0.589 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.458 -3.428 -2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.402 -1.378 -0.182 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.665 -3.391 -1.394 1.00 0.00 H new ATOM 1540 N ILE A 102 7.154 3.065 -2.012 1.00 0.00 N ATOM 1541 CA ILE A 102 8.404 3.757 -2.301 1.00 0.00 C ATOM 1542 C ILE A 102 9.522 3.277 -1.382 1.00 0.00 C ATOM 1543 O ILE A 102 9.494 3.518 -0.175 1.00 0.00 O ATOM 1544 CB ILE A 102 8.251 5.282 -2.153 1.00 0.00 C ATOM 1545 CG1 ILE A 102 7.208 5.810 -3.140 1.00 0.00 C ATOM 1546 CG2 ILE A 102 9.590 5.972 -2.368 1.00 0.00 C ATOM 1547 CD1 ILE A 102 5.809 5.865 -2.569 1.00 0.00 C ATOM 0 H ILE A 102 6.775 3.249 -1.083 1.00 0.00 H new ATOM 0 HA ILE A 102 8.662 3.526 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 102 7.910 5.502 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.499 6.809 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.205 5.176 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.466 7.049 -2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.307 5.614 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.958 5.748 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.123 6.249 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.498 4.864 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.796 6.522 -1.700 1.00 0.00 H new ATOM 1559 N ARG A 103 10.508 2.600 -1.962 1.00 0.00 N ATOM 1560 CA ARG A 103 11.637 2.087 -1.195 1.00 0.00 C ATOM 1561 C ARG A 103 12.910 2.864 -1.517 1.00 0.00 C ATOM 1562 O ARG A 103 13.321 2.950 -2.674 1.00 0.00 O ATOM 1563 CB ARG A 103 11.846 0.600 -1.487 1.00 0.00 C ATOM 1564 CG ARG A 103 13.151 0.049 -0.937 1.00 0.00 C ATOM 1565 CD ARG A 103 12.910 -0.890 0.234 1.00 0.00 C ATOM 1566 NE ARG A 103 12.428 -2.198 -0.203 1.00 0.00 N ATOM 1567 CZ ARG A 103 12.043 -3.156 0.632 1.00 0.00 C ATOM 1568 NH1 ARG A 103 12.082 -2.954 1.942 1.00 0.00 N ATOM 1569 NH2 ARG A 103 11.617 -4.320 0.157 1.00 0.00 N ATOM 0 H ARG A 103 10.548 2.394 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 103 11.413 2.214 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.016 0.035 -1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.821 0.443 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.684 -0.481 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.790 0.873 -0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.836 -1.014 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.183 -0.444 0.913 1.00 0.00 H new ATOM 0 HE ARG A 103 12.385 -2.386 -1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.408 -2.061 2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.786 -3.692 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.585 -4.479 -0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.321 -5.055 0.799 1.00 0.00 H new ATOM 1583 N SER A 104 13.530 3.428 -0.486 1.00 0.00 N ATOM 1584 CA SER A 104 14.754 4.201 -0.659 1.00 0.00 C ATOM 1585 C SER A 104 15.740 3.919 0.470 1.00 0.00 C ATOM 1586 O SER A 104 15.545 4.356 1.604 1.00 0.00 O ATOM 1587 CB SER A 104 14.435 5.697 -0.710 1.00 0.00 C ATOM 1588 OG SER A 104 15.243 6.358 -1.668 1.00 0.00 O ATOM 0 H SER A 104 13.205 3.364 0.479 1.00 0.00 H new ATOM 0 HA SER A 104 15.212 3.901 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.383 5.840 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 104 14.595 6.140 0.273 1.00 0.00 H new ATOM 0 HG SER A 104 15.019 7.312 -1.683 1.00 0.00 H new ATOM 1594 N GLY A 105 16.800 3.182 0.152 1.00 0.00 N ATOM 1595 CA GLY A 105 17.801 2.852 1.149 1.00 0.00 C ATOM 1596 C GLY A 105 17.274 1.906 2.209 1.00 0.00 C ATOM 1597 O GLY A 105 16.069 1.811 2.443 1.00 0.00 O ATOM 0 H GLY A 105 16.983 2.808 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.662 2.399 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 105 18.151 3.768 1.625 1.00 0.00 H new ATOM 1601 N PRO A 106 18.190 1.183 2.871 1.00 0.00 N ATOM 1602 CA PRO A 106 17.833 0.225 3.922 1.00 0.00 C ATOM 1603 C PRO A 106 17.322 0.912 5.183 1.00 0.00 C ATOM 1604 O PRO A 106 18.104 1.428 5.981 1.00 0.00 O ATOM 1605 CB PRO A 106 19.152 -0.498 4.204 1.00 0.00 C ATOM 1606 CG PRO A 106 20.210 0.471 3.802 1.00 0.00 C ATOM 1607 CD PRO A 106 19.643 1.245 2.644 1.00 0.00 C ATOM 0 HA PRO A 106 17.025 -0.438 3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.240 -0.765 5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 106 19.226 -1.424 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.465 1.135 4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.125 -0.047 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 106 20.004 2.273 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 106 19.920 0.799 1.689 1.00 0.00 H new ATOM 1615 N SER A 107 16.004 0.914 5.357 1.00 0.00 N ATOM 1616 CA SER A 107 15.388 1.541 6.521 1.00 0.00 C ATOM 1617 C SER A 107 14.666 0.506 7.377 1.00 0.00 C ATOM 1618 O SER A 107 13.956 -0.357 6.861 1.00 0.00 O ATOM 1619 CB SER A 107 14.406 2.629 6.080 1.00 0.00 C ATOM 1620 OG SER A 107 14.687 3.860 6.723 1.00 0.00 O ATOM 0 H SER A 107 15.343 0.489 4.707 1.00 0.00 H new ATOM 0 HA SER A 107 16.178 1.995 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.463 2.758 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.387 2.319 6.311 1.00 0.00 H new ATOM 0 HG SER A 107 14.047 4.539 6.423 1.00 0.00 H new ATOM 1626 N SER A 108 14.853 0.598 8.690 1.00 0.00 N ATOM 1627 CA SER A 108 14.223 -0.332 9.620 1.00 0.00 C ATOM 1628 C SER A 108 14.801 -1.735 9.459 1.00 0.00 C ATOM 1629 O SER A 108 15.194 -2.135 8.364 1.00 0.00 O ATOM 1630 CB SER A 108 12.710 -0.363 9.397 1.00 0.00 C ATOM 1631 OG SER A 108 12.011 -0.110 10.603 1.00 0.00 O ATOM 0 H SER A 108 15.436 1.308 9.134 1.00 0.00 H new ATOM 0 HA SER A 108 14.426 0.012 10.634 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.434 0.382 8.650 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.418 -1.335 9.001 1.00 0.00 H new ATOM 0 HG SER A 108 11.046 -0.134 10.433 1.00 0.00 H new ATOM 1637 N GLY A 109 14.849 -2.478 10.560 1.00 0.00 N ATOM 1638 CA GLY A 109 15.381 -3.828 10.522 1.00 0.00 C ATOM 1639 C GLY A 109 15.011 -4.560 9.247 1.00 0.00 C ATOM 1640 O GLY A 109 13.935 -5.150 9.151 1.00 0.00 O ATOM 0 H GLY A 109 14.529 -2.169 11.478 1.00 0.00 H new ATOM 0 HA2 GLY A 109 16.466 -3.790 10.614 1.00 0.00 H new ATOM 0 HA3 GLY A 109 15.007 -4.387 11.380 1.00 0.00 H new TER 1644 GLY A 109