USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 804 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 83 GLN : amide:sc= -0.0872 K(o=-0.087,f=-0.6) USER MOD Set 1.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 89 SER OG : rot 165:sc= -0.354 USER MOD Set 2.2: A 109 TYR OH : rot 150:sc= -0.0675 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00693 USER MOD Single : A 22 TYR OH : rot 175:sc= -1.06 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -138:sc= -3.16! (180deg=-6.29!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.0682 (180deg=-0.267) USER MOD Single : A 36 ASN : amide:sc= -5.32! C(o=-5.3!,f=-12!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Single : A 46 HIS : no HD1:sc=-0.00963 X(o=-0.0096,f=-0.0096) USER MOD Single : A 47 CYS SG : rot 118:sc= -2.27! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.8) USER MOD Single : A 52 CYS SG : rot 180:sc= -0.246 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.018) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.7!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 71 MET CE :methyl -156:sc= -0.079 (180deg=-0.853) USER MOD Single : A 74 SER OG : rot -56:sc= 0.663 USER MOD Single : A 75 SER OG : rot 39:sc= 0.951 USER MOD Single : A 78 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.5!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 88 MET CE :methyl 152:sc= 0 (180deg=-0.233) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 108:sc= 0.333 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 104 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.1) USER MOD Single : A 114 SER OG : rot -161:sc= 1.24 USER MOD Single : A 118 CYS SG : rot 26:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 120 N ARG A 11 9.818 19.062 2.481 1.00 0.00 N ATOM 121 CA ARG A 11 10.529 18.434 1.374 1.00 0.00 C ATOM 122 C ARG A 11 9.553 17.942 0.310 1.00 0.00 C ATOM 123 O ARG A 11 9.772 18.136 -0.887 1.00 0.00 O ATOM 124 CB ARG A 11 11.377 17.266 1.882 1.00 0.00 C ATOM 125 CG ARG A 11 12.410 17.671 2.921 1.00 0.00 C ATOM 126 CD ARG A 11 13.693 18.162 2.269 1.00 0.00 C ATOM 127 NE ARG A 11 14.484 17.063 1.721 1.00 0.00 N ATOM 128 CZ ARG A 11 15.747 17.189 1.332 1.00 0.00 C ATOM 129 NH1 ARG A 11 16.361 18.360 1.431 1.00 0.00 N ATOM 130 NH2 ARG A 11 16.400 16.142 0.843 1.00 0.00 N ATOM 0 HA ARG A 11 11.183 19.181 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.719 16.510 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.886 16.803 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.000 18.456 3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.631 16.821 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.449 18.865 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.288 18.706 3.003 1.00 0.00 H new ATOM 0 HE ARG A 11 14.041 16.148 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.863 19.167 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.331 18.454 1.131 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.931 15.239 0.766 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.370 16.240 0.544 1.00 0.00 H new ATOM 144 N LEU A 12 8.475 17.303 0.753 1.00 0.00 N ATOM 145 CA LEU A 12 7.465 16.782 -0.162 1.00 0.00 C ATOM 146 C LEU A 12 6.799 17.913 -0.939 1.00 0.00 C ATOM 147 O LEU A 12 6.797 19.071 -0.519 1.00 0.00 O ATOM 148 CB LEU A 12 6.410 15.989 0.611 1.00 0.00 C ATOM 149 CG LEU A 12 6.794 14.561 0.998 1.00 0.00 C ATOM 150 CD1 LEU A 12 7.163 13.754 -0.237 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.944 14.569 1.995 1.00 0.00 C ATOM 0 H LEU A 12 8.278 17.133 1.739 1.00 0.00 H new ATOM 0 HA LEU A 12 7.960 16.120 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.167 16.538 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.502 15.949 0.010 1.00 0.00 H new ATOM 0 HG LEU A 12 5.933 14.090 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.433 12.740 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.312 13.719 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.009 14.224 -0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.204 13.544 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.809 15.059 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.644 15.110 2.892 1.00 0.00 H new ATOM 163 N PRO A 13 6.217 17.573 -2.098 1.00 0.00 N ATOM 164 CA PRO A 13 5.534 18.545 -2.957 1.00 0.00 C ATOM 165 C PRO A 13 4.234 19.050 -2.341 1.00 0.00 C ATOM 166 O PRO A 13 3.220 18.353 -2.352 1.00 0.00 O ATOM 167 CB PRO A 13 5.247 17.750 -4.234 1.00 0.00 C ATOM 168 CG PRO A 13 5.197 16.328 -3.792 1.00 0.00 C ATOM 169 CD PRO A 13 6.181 16.212 -2.660 1.00 0.00 C ATOM 0 HA PRO A 13 6.137 19.438 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.305 18.057 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.026 17.905 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.193 16.056 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.460 15.656 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.858 15.480 -1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.163 15.897 -3.012 1.00 0.00 H new ATOM 177 N GLU A 14 4.272 20.266 -1.805 1.00 0.00 N ATOM 178 CA GLU A 14 3.096 20.863 -1.184 1.00 0.00 C ATOM 179 C GLU A 14 1.920 20.886 -2.156 1.00 0.00 C ATOM 180 O GLU A 14 0.759 20.871 -1.745 1.00 0.00 O ATOM 181 CB GLU A 14 3.408 22.285 -0.710 1.00 0.00 C ATOM 182 CG GLU A 14 3.844 23.217 -1.828 1.00 0.00 C ATOM 183 CD GLU A 14 4.350 24.550 -1.312 1.00 0.00 C ATOM 184 OE1 GLU A 14 3.797 25.045 -0.308 1.00 0.00 O ATOM 185 OE2 GLU A 14 5.298 25.098 -1.912 1.00 0.00 O ATOM 0 H GLU A 14 5.104 20.856 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 14 2.822 20.253 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.524 22.700 -0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.194 22.243 0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.629 22.736 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.005 23.387 -2.502 1.00 0.00 H new ATOM 192 N THR A 15 2.229 20.924 -3.448 1.00 0.00 N ATOM 193 CA THR A 15 1.199 20.951 -4.479 1.00 0.00 C ATOM 194 C THR A 15 0.561 19.578 -4.655 1.00 0.00 C ATOM 195 O THR A 15 -0.245 19.370 -5.562 1.00 0.00 O ATOM 196 CB THR A 15 1.771 21.416 -5.832 1.00 0.00 C ATOM 197 OG1 THR A 15 2.971 20.695 -6.130 1.00 0.00 O ATOM 198 CG2 THR A 15 2.062 22.909 -5.812 1.00 0.00 C ATOM 0 H THR A 15 3.184 20.937 -3.805 1.00 0.00 H new ATOM 0 HA THR A 15 0.441 21.661 -4.150 1.00 0.00 H new ATOM 0 HB THR A 15 1.027 21.217 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.327 20.995 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.465 23.214 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.141 23.457 -5.614 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.789 23.127 -5.030 1.00 0.00 H new ATOM 206 N ILE A 16 0.926 18.645 -3.782 1.00 0.00 N ATOM 207 CA ILE A 16 0.386 17.292 -3.841 1.00 0.00 C ATOM 208 C ILE A 16 0.050 16.773 -2.447 1.00 0.00 C ATOM 209 O ILE A 16 0.600 17.242 -1.450 1.00 0.00 O ATOM 210 CB ILE A 16 1.374 16.321 -4.514 1.00 0.00 C ATOM 211 CG1 ILE A 16 1.919 16.928 -5.808 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.699 14.986 -4.791 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.024 16.112 -6.440 1.00 0.00 C ATOM 0 H ILE A 16 1.593 18.801 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.525 17.341 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 16 2.210 16.149 -3.836 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.102 17.034 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.292 17.931 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.410 14.311 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.356 14.550 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.154 15.140 -5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.362 16.602 -7.353 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.858 16.028 -5.743 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.650 15.117 -6.680 1.00 0.00 H new ATOM 225 N ASP A 17 -0.854 15.802 -2.385 1.00 0.00 N ATOM 226 CA ASP A 17 -1.261 15.216 -1.113 1.00 0.00 C ATOM 227 C ASP A 17 -1.087 13.701 -1.132 1.00 0.00 C ATOM 228 O ASP A 17 -1.794 12.993 -1.850 1.00 0.00 O ATOM 229 CB ASP A 17 -2.717 15.571 -0.807 1.00 0.00 C ATOM 230 CG ASP A 17 -3.080 15.328 0.644 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.769 16.196 1.486 1.00 0.00 O ATOM 232 OD2 ASP A 17 -3.673 14.269 0.939 1.00 0.00 O ATOM 0 H ASP A 17 -1.319 15.404 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.623 15.627 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.891 16.619 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.374 14.981 -1.446 1.00 0.00 H new ATOM 237 N LEU A 18 -0.140 13.210 -0.340 1.00 0.00 N ATOM 238 CA LEU A 18 0.128 11.778 -0.266 1.00 0.00 C ATOM 239 C LEU A 18 -1.172 10.982 -0.205 1.00 0.00 C ATOM 240 O LEU A 18 -1.367 10.033 -0.962 1.00 0.00 O ATOM 241 CB LEU A 18 0.990 11.463 0.958 1.00 0.00 C ATOM 242 CG LEU A 18 2.502 11.460 0.731 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.236 11.778 2.025 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.955 10.118 0.175 1.00 0.00 C ATOM 0 H LEU A 18 0.455 13.782 0.260 1.00 0.00 H new ATOM 0 HA LEU A 18 0.668 11.488 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.761 12.191 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.698 10.485 1.341 1.00 0.00 H new ATOM 0 HG LEU A 18 2.742 12.233 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.311 11.772 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.934 12.763 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.990 11.028 2.777 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.034 10.134 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.702 9.327 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.454 9.930 -0.775 1.00 0.00 H new ATOM 256 N GLY A 19 -2.061 11.379 0.702 1.00 0.00 N ATOM 257 CA GLY A 19 -3.332 10.694 0.843 1.00 0.00 C ATOM 258 C GLY A 19 -4.019 10.466 -0.488 1.00 0.00 C ATOM 259 O GLY A 19 -4.446 9.352 -0.791 1.00 0.00 O ATOM 0 H GLY A 19 -1.923 12.162 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.171 9.734 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.986 11.278 1.490 1.00 0.00 H new ATOM 263 N ALA A 20 -4.128 11.524 -1.285 1.00 0.00 N ATOM 264 CA ALA A 20 -4.769 11.433 -2.591 1.00 0.00 C ATOM 265 C ALA A 20 -3.996 10.501 -3.518 1.00 0.00 C ATOM 266 O ALA A 20 -4.587 9.773 -4.317 1.00 0.00 O ATOM 267 CB ALA A 20 -4.894 12.816 -3.214 1.00 0.00 C ATOM 0 H ALA A 20 -3.781 12.454 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.767 11.018 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.374 12.734 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.495 13.454 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.902 13.252 -3.334 1.00 0.00 H new ATOM 273 N LEU A 21 -2.672 10.528 -3.407 1.00 0.00 N ATOM 274 CA LEU A 21 -1.818 9.685 -4.236 1.00 0.00 C ATOM 275 C LEU A 21 -2.063 8.208 -3.945 1.00 0.00 C ATOM 276 O LEU A 21 -2.311 7.418 -4.857 1.00 0.00 O ATOM 277 CB LEU A 21 -0.346 10.026 -3.997 1.00 0.00 C ATOM 278 CG LEU A 21 0.656 9.386 -4.959 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.059 8.144 -5.602 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.087 10.385 -6.023 1.00 0.00 C ATOM 0 H LEU A 21 -2.167 11.124 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.065 9.876 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.231 11.109 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.085 9.729 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 21 1.537 9.088 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.786 7.702 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.199 7.422 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.839 8.417 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.800 9.912 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.215 10.714 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.555 11.246 -5.546 1.00 0.00 H new ATOM 292 N TYR A 22 -1.994 7.842 -2.670 1.00 0.00 N ATOM 293 CA TYR A 22 -2.208 6.460 -2.259 1.00 0.00 C ATOM 294 C TYR A 22 -3.510 5.914 -2.840 1.00 0.00 C ATOM 295 O TYR A 22 -3.614 4.728 -3.154 1.00 0.00 O ATOM 296 CB TYR A 22 -2.236 6.358 -0.733 1.00 0.00 C ATOM 297 CG TYR A 22 -2.899 5.099 -0.222 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.198 3.901 -0.151 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.226 5.107 0.189 1.00 0.00 C ATOM 300 CE1 TYR A 22 -2.800 2.748 0.315 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.836 3.959 0.657 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.119 2.782 0.718 1.00 0.00 C ATOM 303 OH TYR A 22 -4.723 1.636 1.183 1.00 0.00 O ATOM 0 H TYR A 22 -1.791 8.483 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.381 5.862 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.214 6.399 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.760 7.224 -0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.165 3.871 -0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.791 6.026 0.142 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.241 1.825 0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.868 3.983 0.973 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.626 1.848 1.501 1.00 0.00 H new ATOM 313 N LEU A 23 -4.499 6.789 -2.980 1.00 0.00 N ATOM 314 CA LEU A 23 -5.795 6.397 -3.524 1.00 0.00 C ATOM 315 C LEU A 23 -5.667 5.970 -4.983 1.00 0.00 C ATOM 316 O LEU A 23 -6.263 4.979 -5.405 1.00 0.00 O ATOM 317 CB LEU A 23 -6.791 7.552 -3.404 1.00 0.00 C ATOM 318 CG LEU A 23 -7.190 7.949 -1.983 1.00 0.00 C ATOM 319 CD1 LEU A 23 -7.701 9.381 -1.952 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.242 6.994 -1.437 1.00 0.00 C ATOM 0 H LEU A 23 -4.429 7.774 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.162 5.548 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.365 8.425 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.694 7.285 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.306 7.886 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.980 9.646 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.918 10.054 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.572 9.471 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.514 7.292 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.126 7.024 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.840 5.981 -1.421 1.00 0.00 H new ATOM 332 N SER A 24 -4.884 6.724 -5.748 1.00 0.00 N ATOM 333 CA SER A 24 -4.678 6.425 -7.160 1.00 0.00 C ATOM 334 C SER A 24 -4.031 5.055 -7.337 1.00 0.00 C ATOM 335 O SER A 24 -4.235 4.386 -8.349 1.00 0.00 O ATOM 336 CB SER A 24 -3.806 7.501 -7.810 1.00 0.00 C ATOM 337 OG SER A 24 -4.568 8.654 -8.124 1.00 0.00 O ATOM 0 H SER A 24 -4.382 7.546 -5.413 1.00 0.00 H new ATOM 0 HA SER A 24 -5.652 6.413 -7.649 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.993 7.771 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.350 7.105 -8.717 1.00 0.00 H new ATOM 0 HG SER A 24 -3.988 9.327 -8.537 1.00 0.00 H new ATOM 343 N MET A 25 -3.249 4.644 -6.343 1.00 0.00 N ATOM 344 CA MET A 25 -2.572 3.353 -6.388 1.00 0.00 C ATOM 345 C MET A 25 -3.528 2.225 -6.013 1.00 0.00 C ATOM 346 O MET A 25 -3.241 1.051 -6.247 1.00 0.00 O ATOM 347 CB MET A 25 -1.369 3.352 -5.443 1.00 0.00 C ATOM 348 CG MET A 25 -0.558 4.637 -5.490 1.00 0.00 C ATOM 349 SD MET A 25 0.890 4.585 -4.418 1.00 0.00 S ATOM 350 CE MET A 25 2.200 4.878 -5.603 1.00 0.00 C ATOM 0 H MET A 25 -3.069 5.186 -5.498 1.00 0.00 H new ATOM 0 HA MET A 25 -2.225 3.188 -7.408 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.718 3.190 -4.423 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.720 2.513 -5.695 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.239 4.823 -6.516 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.193 5.473 -5.196 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.038 4.214 -5.391 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.830 4.685 -6.610 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.531 5.914 -5.531 1.00 0.00 H new ATOM 360 N LYS A 26 -4.666 2.588 -5.430 1.00 0.00 N ATOM 361 CA LYS A 26 -5.665 1.607 -5.024 1.00 0.00 C ATOM 362 C LYS A 26 -6.508 1.164 -6.215 1.00 0.00 C ATOM 363 O LYS A 26 -7.135 0.105 -6.184 1.00 0.00 O ATOM 364 CB LYS A 26 -6.569 2.190 -3.935 1.00 0.00 C ATOM 365 CG LYS A 26 -5.888 2.317 -2.583 1.00 0.00 C ATOM 366 CD LYS A 26 -6.880 2.162 -1.443 1.00 0.00 C ATOM 367 CE LYS A 26 -7.852 3.331 -1.386 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.567 3.394 -0.081 1.00 0.00 N ATOM 0 H LYS A 26 -4.919 3.555 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.143 0.737 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.917 3.173 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.451 1.558 -3.830 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.109 1.560 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.398 3.288 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.435 1.232 -1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.341 2.089 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.310 4.263 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.578 3.240 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.220 4.204 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.105 2.516 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.876 3.507 0.688 1.00 0.00 H new ATOM 382 N ASP A 27 -6.517 1.979 -7.264 1.00 0.00 N ATOM 383 CA ASP A 27 -7.281 1.669 -8.467 1.00 0.00 C ATOM 384 C ASP A 27 -6.802 0.363 -9.093 1.00 0.00 C ATOM 385 O ASP A 27 -5.638 -0.015 -8.955 1.00 0.00 O ATOM 386 CB ASP A 27 -7.162 2.809 -9.480 1.00 0.00 C ATOM 387 CG ASP A 27 -8.269 2.780 -10.516 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.319 1.814 -11.305 1.00 0.00 O ATOM 389 OD2 ASP A 27 -9.085 3.725 -10.536 1.00 0.00 O ATOM 0 H ASP A 27 -6.004 2.860 -7.306 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.327 1.553 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.186 3.763 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.197 2.746 -9.982 1.00 0.00 H new ATOM 394 N THR A 28 -7.707 -0.324 -9.783 1.00 0.00 N ATOM 395 CA THR A 28 -7.379 -1.589 -10.428 1.00 0.00 C ATOM 396 C THR A 28 -6.635 -1.360 -11.739 1.00 0.00 C ATOM 397 O THR A 28 -5.755 -2.138 -12.107 1.00 0.00 O ATOM 398 CB THR A 28 -8.644 -2.422 -10.708 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.295 -3.802 -10.869 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.354 -1.924 -11.957 1.00 0.00 C ATOM 0 H THR A 28 -8.674 -0.025 -9.909 1.00 0.00 H new ATOM 0 HA THR A 28 -6.737 -2.138 -9.739 1.00 0.00 H new ATOM 0 HB THR A 28 -9.319 -2.315 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.104 -4.326 -11.045 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.244 -2.527 -12.135 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.643 -0.882 -11.820 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.684 -2.005 -12.813 1.00 0.00 H new ATOM 408 N GLU A 29 -6.993 -0.287 -12.438 1.00 0.00 N ATOM 409 CA GLU A 29 -6.358 0.043 -13.709 1.00 0.00 C ATOM 410 C GLU A 29 -5.549 1.331 -13.594 1.00 0.00 C ATOM 411 O GLU A 29 -4.593 1.547 -14.340 1.00 0.00 O ATOM 412 CB GLU A 29 -7.411 0.185 -14.809 1.00 0.00 C ATOM 413 CG GLU A 29 -8.688 0.865 -14.345 1.00 0.00 C ATOM 414 CD GLU A 29 -9.373 1.640 -15.454 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.515 1.085 -16.564 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.767 2.800 -15.213 1.00 0.00 O ATOM 0 H GLU A 29 -7.718 0.368 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.680 -0.770 -13.969 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.986 0.754 -15.636 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.656 -0.804 -15.196 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.374 0.113 -13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.456 1.542 -13.523 1.00 0.00 H new ATOM 423 N LYS A 30 -5.938 2.186 -12.654 1.00 0.00 N ATOM 424 CA LYS A 30 -5.251 3.453 -12.439 1.00 0.00 C ATOM 425 C LYS A 30 -4.337 3.377 -11.220 1.00 0.00 C ATOM 426 O LYS A 30 -3.814 4.391 -10.760 1.00 0.00 O ATOM 427 CB LYS A 30 -6.266 4.584 -12.258 1.00 0.00 C ATOM 428 CG LYS A 30 -7.395 4.556 -13.274 1.00 0.00 C ATOM 429 CD LYS A 30 -6.961 5.145 -14.606 1.00 0.00 C ATOM 430 CE LYS A 30 -6.396 4.078 -15.530 1.00 0.00 C ATOM 431 NZ LYS A 30 -5.602 4.671 -16.642 1.00 0.00 N ATOM 0 H LYS A 30 -6.727 2.023 -12.028 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.640 3.659 -13.318 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.689 4.524 -11.255 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.748 5.541 -12.329 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.728 3.529 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.247 5.116 -12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.812 5.629 -15.085 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.209 5.916 -14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.766 3.398 -14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.213 3.485 -15.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.234 3.911 -17.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.209 5.301 -17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.808 5.216 -16.249 1.00 0.00 H new ATOM 445 N GLY A 31 -4.149 2.167 -10.701 1.00 0.00 N ATOM 446 CA GLY A 31 -3.297 1.981 -9.541 1.00 0.00 C ATOM 447 C GLY A 31 -2.177 0.993 -9.797 1.00 0.00 C ATOM 448 O GLY A 31 -1.996 0.527 -10.923 1.00 0.00 O ATOM 0 H GLY A 31 -4.572 1.312 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.871 2.941 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.900 1.632 -8.703 1.00 0.00 H new ATOM 452 N ILE A 32 -1.421 0.674 -8.752 1.00 0.00 N ATOM 453 CA ILE A 32 -0.313 -0.265 -8.869 1.00 0.00 C ATOM 454 C ILE A 32 -0.804 -1.707 -8.806 1.00 0.00 C ATOM 455 O ILE A 32 -1.528 -2.089 -7.886 1.00 0.00 O ATOM 456 CB ILE A 32 0.734 -0.042 -7.761 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.264 1.393 -7.812 1.00 0.00 C ATOM 458 CG2 ILE A 32 1.874 -1.039 -7.901 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.116 1.764 -6.618 1.00 0.00 C ATOM 0 H ILE A 32 -1.556 1.052 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 32 0.152 -0.084 -9.838 1.00 0.00 H new ATOM 0 HB ILE A 32 0.257 -0.199 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.851 1.523 -8.721 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.421 2.081 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.605 -0.869 -7.111 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.482 -2.053 -7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.352 -0.911 -8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.457 2.794 -6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.527 1.666 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.978 1.099 -6.566 1.00 0.00 H new ATOM 471 N LYS A 33 -0.404 -2.506 -9.789 1.00 0.00 N ATOM 472 CA LYS A 33 -0.800 -3.909 -9.845 1.00 0.00 C ATOM 473 C LYS A 33 0.169 -4.780 -9.052 1.00 0.00 C ATOM 474 O LYS A 33 1.380 -4.728 -9.265 1.00 0.00 O ATOM 475 CB LYS A 33 -0.860 -4.385 -11.298 1.00 0.00 C ATOM 476 CG LYS A 33 0.505 -4.655 -11.906 1.00 0.00 C ATOM 477 CD LYS A 33 0.936 -6.096 -11.694 1.00 0.00 C ATOM 478 CE LYS A 33 0.227 -7.037 -12.655 1.00 0.00 C ATOM 479 NZ LYS A 33 0.877 -7.056 -13.995 1.00 0.00 N ATOM 0 H LYS A 33 0.195 -2.206 -10.559 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.790 -4.000 -9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.458 -5.295 -11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.373 -3.633 -11.897 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.478 -4.436 -12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.241 -3.985 -11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.014 -6.178 -11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.722 -6.394 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.223 -8.045 -12.239 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.814 -6.731 -12.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.743 -7.990 -14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.449 -6.326 -14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.894 -6.866 -13.890 1.00 0.00 H new ATOM 493 N GLU A 34 -0.373 -5.580 -8.139 1.00 0.00 N ATOM 494 CA GLU A 34 0.446 -6.462 -7.316 1.00 0.00 C ATOM 495 C GLU A 34 0.848 -7.713 -8.093 1.00 0.00 C ATOM 496 O GLU A 34 0.111 -8.182 -8.961 1.00 0.00 O ATOM 497 CB GLU A 34 -0.311 -6.859 -6.046 1.00 0.00 C ATOM 498 CG GLU A 34 -0.930 -5.680 -5.314 1.00 0.00 C ATOM 499 CD GLU A 34 -2.173 -6.065 -4.536 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.097 -6.646 -5.144 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.223 -5.786 -3.320 1.00 0.00 O ATOM 0 H GLU A 34 -1.374 -5.635 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 34 1.351 -5.921 -7.038 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.097 -7.567 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.372 -7.376 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.195 -5.255 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.183 -4.902 -6.034 1.00 0.00 H new ATOM 508 N LEU A 35 2.021 -8.248 -7.774 1.00 0.00 N ATOM 509 CA LEU A 35 2.523 -9.444 -8.442 1.00 0.00 C ATOM 510 C LEU A 35 2.749 -10.572 -7.441 1.00 0.00 C ATOM 511 O LEU A 35 2.745 -10.351 -6.231 1.00 0.00 O ATOM 512 CB LEU A 35 3.827 -9.132 -9.178 1.00 0.00 C ATOM 513 CG LEU A 35 3.700 -8.257 -10.426 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.431 -8.599 -11.191 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.716 -6.783 -10.048 1.00 0.00 C ATOM 0 H LEU A 35 2.642 -7.873 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 35 1.774 -9.768 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.506 -8.640 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.293 -10.074 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 35 4.554 -8.455 -11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.358 -7.966 -12.076 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.460 -9.645 -11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.564 -8.431 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.625 -6.175 -10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.881 -6.570 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.653 -6.547 -9.544 1.00 0.00 H new ATOM 527 N ASN A 36 2.948 -11.782 -7.955 1.00 0.00 N ATOM 528 CA ASN A 36 3.177 -12.945 -7.105 1.00 0.00 C ATOM 529 C ASN A 36 4.540 -13.568 -7.392 1.00 0.00 C ATOM 530 O ASN A 36 4.673 -14.419 -8.272 1.00 0.00 O ATOM 531 CB ASN A 36 2.074 -13.984 -7.319 1.00 0.00 C ATOM 532 CG ASN A 36 2.514 -15.382 -6.929 1.00 0.00 C ATOM 533 OD1 ASN A 36 3.487 -15.557 -6.195 1.00 0.00 O ATOM 534 ND2 ASN A 36 1.796 -16.386 -7.420 1.00 0.00 N ATOM 0 H ASN A 36 2.955 -11.982 -8.955 1.00 0.00 H new ATOM 0 HA ASN A 36 3.159 -12.614 -6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.198 -13.705 -6.734 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.773 -13.980 -8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.043 -17.349 -7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.997 -16.194 -8.025 1.00 0.00 H new ATOM 541 N LEU A 37 5.550 -13.138 -6.644 1.00 0.00 N ATOM 542 CA LEU A 37 6.904 -13.653 -6.817 1.00 0.00 C ATOM 543 C LEU A 37 7.307 -14.532 -5.637 1.00 0.00 C ATOM 544 O LEU A 37 6.689 -14.481 -4.574 1.00 0.00 O ATOM 545 CB LEU A 37 7.895 -12.498 -6.969 1.00 0.00 C ATOM 546 CG LEU A 37 7.552 -11.455 -8.033 1.00 0.00 C ATOM 547 CD1 LEU A 37 8.117 -10.096 -7.651 1.00 0.00 C ATOM 548 CD2 LEU A 37 8.079 -11.889 -9.394 1.00 0.00 C ATOM 0 H LEU A 37 5.457 -12.434 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 37 6.922 -14.260 -7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.982 -11.992 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.875 -12.915 -7.200 1.00 0.00 H new ATOM 0 HG LEU A 37 6.467 -11.370 -8.094 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.863 -9.367 -8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.693 -9.781 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.201 -10.165 -7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.826 -11.135 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.162 -12.002 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.627 -12.841 -9.673 1.00 0.00 H new ATOM 560 N GLU A 38 8.347 -15.336 -5.832 1.00 0.00 N ATOM 561 CA GLU A 38 8.833 -16.224 -4.783 1.00 0.00 C ATOM 562 C GLU A 38 10.328 -16.024 -4.549 1.00 0.00 C ATOM 563 O GLU A 38 11.099 -15.856 -5.494 1.00 0.00 O ATOM 564 CB GLU A 38 8.554 -17.683 -5.150 1.00 0.00 C ATOM 565 CG GLU A 38 8.785 -18.654 -4.005 1.00 0.00 C ATOM 566 CD GLU A 38 10.222 -19.133 -3.927 1.00 0.00 C ATOM 567 OE1 GLU A 38 10.659 -19.849 -4.852 1.00 0.00 O ATOM 568 OE2 GLU A 38 10.909 -18.792 -2.941 1.00 0.00 O ATOM 0 H GLU A 38 8.869 -15.391 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 38 8.303 -15.980 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.522 -17.773 -5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.190 -17.966 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.515 -18.172 -3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.125 -19.514 -4.124 1.00 0.00 H new ATOM 575 N LYS A 39 10.730 -16.043 -3.283 1.00 0.00 N ATOM 576 CA LYS A 39 12.131 -15.865 -2.922 1.00 0.00 C ATOM 577 C LYS A 39 12.629 -17.034 -2.078 1.00 0.00 C ATOM 578 O LYS A 39 13.412 -17.860 -2.546 1.00 0.00 O ATOM 579 CB LYS A 39 12.319 -14.553 -2.156 1.00 0.00 C ATOM 580 CG LYS A 39 13.762 -14.275 -1.771 1.00 0.00 C ATOM 581 CD LYS A 39 14.540 -13.666 -2.925 1.00 0.00 C ATOM 582 CE LYS A 39 15.709 -12.829 -2.429 1.00 0.00 C ATOM 583 NZ LYS A 39 16.844 -13.679 -1.971 1.00 0.00 N ATOM 0 H LYS A 39 10.105 -16.180 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 39 12.715 -15.829 -3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.950 -13.729 -2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.709 -14.579 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.788 -13.599 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.241 -15.203 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.909 -14.459 -3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.875 -13.045 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.048 -12.169 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.378 -12.192 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.621 -13.072 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.527 -14.291 -1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.177 -14.268 -2.761 1.00 0.00 H new ATOM 597 N ASP A 40 12.168 -17.098 -0.834 1.00 0.00 N ATOM 598 CA ASP A 40 12.565 -18.167 0.074 1.00 0.00 C ATOM 599 C ASP A 40 11.355 -18.992 0.503 1.00 0.00 C ATOM 600 O ASP A 40 10.705 -18.688 1.503 1.00 0.00 O ATOM 601 CB ASP A 40 13.265 -17.588 1.305 1.00 0.00 C ATOM 602 CG ASP A 40 14.745 -17.356 1.074 1.00 0.00 C ATOM 603 OD1 ASP A 40 15.534 -18.301 1.284 1.00 0.00 O ATOM 604 OD2 ASP A 40 15.114 -16.229 0.681 1.00 0.00 O ATOM 0 H ASP A 40 11.519 -16.422 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 40 13.259 -18.820 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.791 -16.646 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.134 -18.268 2.147 1.00 0.00 H new ATOM 609 N LYS A 41 11.059 -20.039 -0.260 1.00 0.00 N ATOM 610 CA LYS A 41 9.928 -20.909 0.039 1.00 0.00 C ATOM 611 C LYS A 41 8.761 -20.108 0.610 1.00 0.00 C ATOM 612 O LYS A 41 8.047 -20.577 1.496 1.00 0.00 O ATOM 613 CB LYS A 41 10.345 -21.999 1.029 1.00 0.00 C ATOM 614 CG LYS A 41 11.396 -22.949 0.481 1.00 0.00 C ATOM 615 CD LYS A 41 10.767 -24.060 -0.343 1.00 0.00 C ATOM 616 CE LYS A 41 11.788 -24.724 -1.254 1.00 0.00 C ATOM 617 NZ LYS A 41 11.393 -26.115 -1.608 1.00 0.00 N ATOM 0 H LYS A 41 11.587 -20.306 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 41 9.605 -21.376 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.729 -21.528 1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.464 -22.572 1.317 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.104 -22.394 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.962 -23.382 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.332 -24.806 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.953 -23.653 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.900 -24.135 -2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.760 -24.737 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.114 -26.533 -2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.311 -26.684 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.477 -26.101 -2.101 1.00 0.00 H new ATOM 631 N LYS A 42 8.572 -18.898 0.094 1.00 0.00 N ATOM 632 CA LYS A 42 7.491 -18.033 0.550 1.00 0.00 C ATOM 633 C LYS A 42 6.939 -17.199 -0.603 1.00 0.00 C ATOM 634 O LYS A 42 7.687 -16.508 -1.295 1.00 0.00 O ATOM 635 CB LYS A 42 7.984 -17.112 1.669 1.00 0.00 C ATOM 636 CG LYS A 42 8.188 -17.822 2.995 1.00 0.00 C ATOM 637 CD LYS A 42 8.484 -16.839 4.115 1.00 0.00 C ATOM 638 CE LYS A 42 7.209 -16.214 4.660 1.00 0.00 C ATOM 639 NZ LYS A 42 7.476 -15.357 5.849 1.00 0.00 N ATOM 0 H LYS A 42 9.154 -18.495 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 42 6.691 -18.665 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.925 -16.654 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.266 -16.304 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.296 -18.398 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.011 -18.532 2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.012 -17.351 4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.146 -16.055 3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.735 -15.617 3.881 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.505 -17.001 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.582 -14.949 6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.905 -15.932 6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.128 -14.591 5.585 1.00 0.00 H new ATOM 653 N ILE A 43 5.627 -17.269 -0.801 1.00 0.00 N ATOM 654 CA ILE A 43 4.976 -16.519 -1.868 1.00 0.00 C ATOM 655 C ILE A 43 4.276 -15.279 -1.320 1.00 0.00 C ATOM 656 O ILE A 43 3.312 -15.381 -0.561 1.00 0.00 O ATOM 657 CB ILE A 43 3.947 -17.385 -2.618 1.00 0.00 C ATOM 658 CG1 ILE A 43 4.643 -18.561 -3.306 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.188 -16.545 -3.635 1.00 0.00 C ATOM 660 CD1 ILE A 43 5.202 -18.220 -4.669 1.00 0.00 C ATOM 0 H ILE A 43 4.994 -17.837 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 43 5.759 -16.215 -2.563 1.00 0.00 H new ATOM 0 HB ILE A 43 3.233 -17.781 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.453 -18.916 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.934 -19.383 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.465 -17.171 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.666 -15.737 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.890 -16.124 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.681 -19.101 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.393 -17.893 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.936 -17.420 -4.572 1.00 0.00 H new ATOM 672 N PHE A 44 4.767 -14.108 -1.712 1.00 0.00 N ATOM 673 CA PHE A 44 4.189 -12.847 -1.261 1.00 0.00 C ATOM 674 C PHE A 44 3.083 -12.388 -2.206 1.00 0.00 C ATOM 675 O PHE A 44 3.295 -11.521 -3.053 1.00 0.00 O ATOM 676 CB PHE A 44 5.272 -11.771 -1.165 1.00 0.00 C ATOM 677 CG PHE A 44 6.424 -12.157 -0.281 1.00 0.00 C ATOM 678 CD1 PHE A 44 7.380 -13.058 -0.721 1.00 0.00 C ATOM 679 CD2 PHE A 44 6.550 -11.619 0.990 1.00 0.00 C ATOM 680 CE1 PHE A 44 8.440 -13.415 0.090 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.609 -11.972 1.805 1.00 0.00 C ATOM 682 CZ PHE A 44 8.555 -12.870 1.355 1.00 0.00 C ATOM 0 H PHE A 44 5.564 -14.006 -2.341 1.00 0.00 H new ATOM 0 HA PHE A 44 3.756 -13.006 -0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.648 -11.555 -2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.826 -10.851 -0.787 1.00 0.00 H new ATOM 0 HD1 PHE A 44 7.296 -13.486 -1.709 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.812 -10.916 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.178 -14.119 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.696 -11.545 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.384 -13.147 1.990 1.00 0.00 H new ATOM 692 N ASN A 45 1.901 -12.976 -2.054 1.00 0.00 N ATOM 693 CA ASN A 45 0.760 -12.629 -2.894 1.00 0.00 C ATOM 694 C ASN A 45 0.283 -11.209 -2.603 1.00 0.00 C ATOM 695 O ASN A 45 0.359 -10.737 -1.469 1.00 0.00 O ATOM 696 CB ASN A 45 -0.384 -13.620 -2.671 1.00 0.00 C ATOM 697 CG ASN A 45 -0.265 -14.849 -3.552 1.00 0.00 C ATOM 698 OD1 ASN A 45 -0.324 -14.755 -4.778 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.096 -16.009 -2.928 1.00 0.00 N ATOM 0 H ASN A 45 1.708 -13.695 -1.357 1.00 0.00 H new ATOM 0 HA ASN A 45 1.078 -12.680 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.397 -13.926 -1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.334 -13.124 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.009 -16.870 -3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.053 -16.039 -1.909 1.00 0.00 H new ATOM 706 N HIS A 46 -0.210 -10.534 -3.636 1.00 0.00 N ATOM 707 CA HIS A 46 -0.702 -9.168 -3.492 1.00 0.00 C ATOM 708 C HIS A 46 0.428 -8.223 -3.092 1.00 0.00 C ATOM 709 O HIS A 46 0.265 -7.386 -2.203 1.00 0.00 O ATOM 710 CB HIS A 46 -1.820 -9.113 -2.451 1.00 0.00 C ATOM 711 CG HIS A 46 -2.880 -10.152 -2.656 1.00 0.00 C ATOM 712 ND1 HIS A 46 -3.481 -10.384 -3.874 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.443 -11.025 -1.788 1.00 0.00 C ATOM 714 CE1 HIS A 46 -4.370 -11.352 -3.747 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.366 -11.759 -2.490 1.00 0.00 N ATOM 0 H HIS A 46 -0.280 -10.910 -4.582 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.097 -8.847 -4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.388 -9.238 -1.458 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.281 -8.126 -2.476 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.209 -11.125 -0.738 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.994 -11.744 -4.536 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.953 -12.498 -2.104 1.00 0.00 H new ATOM 724 N CYS A 47 1.572 -8.364 -3.752 1.00 0.00 N ATOM 725 CA CYS A 47 2.729 -7.525 -3.464 1.00 0.00 C ATOM 726 C CYS A 47 3.422 -7.093 -4.753 1.00 0.00 C ATOM 727 O CYS A 47 3.657 -7.907 -5.646 1.00 0.00 O ATOM 728 CB CYS A 47 3.716 -8.271 -2.566 1.00 0.00 C ATOM 729 SG CYS A 47 3.310 -8.201 -0.805 1.00 0.00 S ATOM 0 H CYS A 47 1.723 -9.052 -4.490 1.00 0.00 H new ATOM 0 HA CYS A 47 2.379 -6.633 -2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.757 -9.315 -2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.712 -7.855 -2.715 1.00 0.00 H new ATOM 0 HG CYS A 47 3.077 -9.402 -0.365 1.00 0.00 H new ATOM 735 N PHE A 48 3.746 -5.807 -4.842 1.00 0.00 N ATOM 736 CA PHE A 48 4.409 -5.267 -6.023 1.00 0.00 C ATOM 737 C PHE A 48 5.862 -4.915 -5.717 1.00 0.00 C ATOM 738 O PHE A 48 6.212 -4.602 -4.578 1.00 0.00 O ATOM 739 CB PHE A 48 3.668 -4.027 -6.528 1.00 0.00 C ATOM 740 CG PHE A 48 3.067 -3.199 -5.428 1.00 0.00 C ATOM 741 CD1 PHE A 48 3.820 -2.234 -4.779 1.00 0.00 C ATOM 742 CD2 PHE A 48 1.749 -3.385 -5.044 1.00 0.00 C ATOM 743 CE1 PHE A 48 3.270 -1.471 -3.767 1.00 0.00 C ATOM 744 CE2 PHE A 48 1.193 -2.625 -4.033 1.00 0.00 C ATOM 745 CZ PHE A 48 1.954 -1.666 -3.394 1.00 0.00 C ATOM 0 H PHE A 48 3.560 -5.120 -4.111 1.00 0.00 H new ATOM 0 HA PHE A 48 4.394 -6.032 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.359 -3.409 -7.101 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.878 -4.339 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.849 -2.076 -5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.149 -4.133 -5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.868 -0.723 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.164 -2.781 -3.743 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.521 -1.070 -2.604 1.00 0.00 H new ATOM 755 N THR A 49 6.707 -4.969 -6.742 1.00 0.00 N ATOM 756 CA THR A 49 8.122 -4.658 -6.584 1.00 0.00 C ATOM 757 C THR A 49 8.333 -3.170 -6.330 1.00 0.00 C ATOM 758 O THR A 49 7.400 -2.374 -6.433 1.00 0.00 O ATOM 759 CB THR A 49 8.931 -5.075 -7.827 1.00 0.00 C ATOM 760 OG1 THR A 49 8.614 -4.216 -8.928 1.00 0.00 O ATOM 761 CG2 THR A 49 8.638 -6.520 -8.203 1.00 0.00 C ATOM 0 H THR A 49 6.435 -5.225 -7.691 1.00 0.00 H new ATOM 0 HA THR A 49 8.476 -5.224 -5.723 1.00 0.00 H new ATOM 0 HB THR A 49 9.991 -4.986 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.133 -4.486 -9.714 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.220 -6.792 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.907 -7.174 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.576 -6.631 -8.422 1.00 0.00 H new ATOM 769 N GLY A 50 9.566 -2.800 -5.999 1.00 0.00 N ATOM 770 CA GLY A 50 9.877 -1.407 -5.736 1.00 0.00 C ATOM 771 C GLY A 50 9.756 -0.542 -6.975 1.00 0.00 C ATOM 772 O GLY A 50 9.063 0.474 -6.965 1.00 0.00 O ATOM 0 H GLY A 50 10.355 -3.440 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.207 -1.028 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.891 -1.332 -5.342 1.00 0.00 H new ATOM 776 N ASN A 51 10.433 -0.945 -8.045 1.00 0.00 N ATOM 777 CA ASN A 51 10.399 -0.198 -9.297 1.00 0.00 C ATOM 778 C ASN A 51 8.974 0.222 -9.642 1.00 0.00 C ATOM 779 O ASN A 51 8.688 1.408 -9.812 1.00 0.00 O ATOM 780 CB ASN A 51 10.985 -1.039 -10.433 1.00 0.00 C ATOM 781 CG ASN A 51 12.479 -0.836 -10.592 1.00 0.00 C ATOM 782 OD1 ASN A 51 13.235 -0.925 -9.624 1.00 0.00 O ATOM 783 ND2 ASN A 51 12.912 -0.562 -11.817 1.00 0.00 N ATOM 0 H ASN A 51 11.012 -1.785 -8.070 1.00 0.00 H new ATOM 0 HA ASN A 51 11.003 0.701 -9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.783 -2.093 -10.243 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.485 -0.782 -11.367 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.907 -0.416 -11.985 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.249 -0.498 -12.590 1.00 0.00 H new ATOM 790 N CYS A 52 8.083 -0.759 -9.743 1.00 0.00 N ATOM 791 CA CYS A 52 6.686 -0.492 -10.068 1.00 0.00 C ATOM 792 C CYS A 52 6.217 0.808 -9.423 1.00 0.00 C ATOM 793 O CYS A 52 5.682 1.689 -10.096 1.00 0.00 O ATOM 794 CB CYS A 52 5.803 -1.653 -9.608 1.00 0.00 C ATOM 795 SG CYS A 52 4.325 -1.902 -10.618 1.00 0.00 S ATOM 0 H CYS A 52 8.303 -1.745 -9.605 1.00 0.00 H new ATOM 0 HA CYS A 52 6.603 -0.389 -11.150 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.393 -2.569 -9.615 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.499 -1.478 -8.576 1.00 0.00 H new ATOM 0 HG CYS A 52 3.645 -2.907 -10.151 1.00 0.00 H new ATOM 801 N VAL A 53 6.418 0.919 -8.114 1.00 0.00 N ATOM 802 CA VAL A 53 6.015 2.111 -7.377 1.00 0.00 C ATOM 803 C VAL A 53 6.614 3.369 -7.996 1.00 0.00 C ATOM 804 O VAL A 53 5.895 4.308 -8.337 1.00 0.00 O ATOM 805 CB VAL A 53 6.439 2.027 -5.899 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.087 3.314 -5.169 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.790 0.827 -5.226 1.00 0.00 C ATOM 0 H VAL A 53 6.858 0.198 -7.542 1.00 0.00 H new ATOM 0 HA VAL A 53 4.928 2.165 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 53 7.520 1.897 -5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.394 3.236 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.604 4.151 -5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.011 3.478 -5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.101 0.783 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.705 0.923 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.098 -0.086 -5.735 1.00 0.00 H new ATOM 817 N ILE A 54 7.935 3.380 -8.139 1.00 0.00 N ATOM 818 CA ILE A 54 8.631 4.522 -8.719 1.00 0.00 C ATOM 819 C ILE A 54 8.071 4.866 -10.095 1.00 0.00 C ATOM 820 O ILE A 54 7.476 5.927 -10.286 1.00 0.00 O ATOM 821 CB ILE A 54 10.143 4.256 -8.844 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.708 3.764 -7.510 1.00 0.00 C ATOM 823 CG2 ILE A 54 10.866 5.514 -9.300 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.452 4.712 -6.359 1.00 0.00 C ATOM 0 H ILE A 54 8.545 2.611 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 54 8.473 5.364 -8.044 1.00 0.00 H new ATOM 0 HB ILE A 54 10.300 3.479 -9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.271 2.794 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.782 3.613 -7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 54 11.933 5.310 -9.384 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.479 5.825 -10.270 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.705 6.310 -8.573 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.880 4.299 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.913 5.676 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.378 4.845 -6.229 1.00 0.00 H new ATOM 836 N ASP A 55 8.265 3.962 -11.049 1.00 0.00 N ATOM 837 CA ASP A 55 7.776 4.169 -12.407 1.00 0.00 C ATOM 838 C ASP A 55 6.319 4.620 -12.399 1.00 0.00 C ATOM 839 O ASP A 55 5.977 5.655 -12.970 1.00 0.00 O ATOM 840 CB ASP A 55 7.920 2.884 -13.224 1.00 0.00 C ATOM 841 CG ASP A 55 7.817 3.132 -14.716 1.00 0.00 C ATOM 842 OD1 ASP A 55 8.753 3.731 -15.285 1.00 0.00 O ATOM 843 OD2 ASP A 55 6.799 2.726 -15.316 1.00 0.00 O ATOM 0 H ASP A 55 8.757 3.080 -10.907 1.00 0.00 H new ATOM 0 HA ASP A 55 8.377 4.954 -12.867 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.881 2.421 -13.001 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.148 2.176 -12.922 1.00 0.00 H new ATOM 848 N TRP A 56 5.467 3.837 -11.748 1.00 0.00 N ATOM 849 CA TRP A 56 4.046 4.156 -11.666 1.00 0.00 C ATOM 850 C TRP A 56 3.835 5.651 -11.459 1.00 0.00 C ATOM 851 O TRP A 56 2.954 6.255 -12.073 1.00 0.00 O ATOM 852 CB TRP A 56 3.392 3.373 -10.526 1.00 0.00 C ATOM 853 CG TRP A 56 1.914 3.601 -10.421 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.923 2.774 -10.866 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.261 4.733 -9.834 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.306 3.322 -10.591 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.126 4.523 -9.958 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.713 5.901 -9.215 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.062 5.440 -9.487 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.783 6.810 -8.748 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.591 6.575 -8.885 1.00 0.00 C ATOM 0 H TRP A 56 5.735 2.977 -11.269 1.00 0.00 H new ATOM 0 HA TRP A 56 3.579 3.870 -12.609 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.579 2.309 -10.671 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.864 3.654 -9.584 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.082 1.828 -11.362 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.207 2.902 -10.821 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.770 6.090 -9.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.122 5.262 -9.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.121 7.717 -8.269 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.293 7.304 -8.508 1.00 0.00 H new ATOM 872 N LEU A 57 4.648 6.245 -10.592 1.00 0.00 N ATOM 873 CA LEU A 57 4.550 7.672 -10.305 1.00 0.00 C ATOM 874 C LEU A 57 4.923 8.501 -11.529 1.00 0.00 C ATOM 875 O LEU A 57 4.268 9.495 -11.843 1.00 0.00 O ATOM 876 CB LEU A 57 5.458 8.039 -9.129 1.00 0.00 C ATOM 877 CG LEU A 57 5.105 7.403 -7.784 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.347 7.262 -6.918 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.043 8.225 -7.068 1.00 0.00 C ATOM 0 H LEU A 57 5.382 5.761 -10.076 1.00 0.00 H new ATOM 0 HA LEU A 57 3.516 7.894 -10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.480 7.758 -9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.445 9.122 -9.010 1.00 0.00 H new ATOM 0 HG LEU A 57 4.702 6.407 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.076 6.808 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.076 6.631 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.780 8.246 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.804 7.758 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.419 9.233 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.144 8.273 -7.683 1.00 0.00 H new ATOM 891 N VAL A 58 5.980 8.084 -12.219 1.00 0.00 N ATOM 892 CA VAL A 58 6.440 8.786 -13.412 1.00 0.00 C ATOM 893 C VAL A 58 5.416 8.685 -14.537 1.00 0.00 C ATOM 894 O VAL A 58 5.025 9.693 -15.126 1.00 0.00 O ATOM 895 CB VAL A 58 7.787 8.228 -13.907 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.258 8.986 -15.139 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.829 8.293 -12.801 1.00 0.00 C ATOM 0 H VAL A 58 6.534 7.264 -11.973 1.00 0.00 H new ATOM 0 HA VAL A 58 6.569 9.832 -13.134 1.00 0.00 H new ATOM 0 HB VAL A 58 7.648 7.183 -14.183 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.211 8.578 -15.475 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.519 8.883 -15.934 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.381 10.041 -14.892 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.775 7.895 -13.168 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.967 9.329 -12.492 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.493 7.702 -11.949 1.00 0.00 H new ATOM 907 N SER A 59 4.985 7.463 -14.830 1.00 0.00 N ATOM 908 CA SER A 59 4.008 7.229 -15.888 1.00 0.00 C ATOM 909 C SER A 59 2.739 8.039 -15.643 1.00 0.00 C ATOM 910 O SER A 59 2.061 8.450 -16.584 1.00 0.00 O ATOM 911 CB SER A 59 3.668 5.740 -15.977 1.00 0.00 C ATOM 912 OG SER A 59 3.133 5.415 -17.248 1.00 0.00 O ATOM 0 H SER A 59 5.297 6.619 -14.350 1.00 0.00 H new ATOM 0 HA SER A 59 4.447 7.551 -16.832 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.564 5.147 -15.794 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.950 5.480 -15.199 1.00 0.00 H new ATOM 0 HG SER A 59 2.925 4.458 -17.280 1.00 0.00 H new ATOM 918 N ASN A 60 2.424 8.264 -14.372 1.00 0.00 N ATOM 919 CA ASN A 60 1.236 9.025 -14.002 1.00 0.00 C ATOM 920 C ASN A 60 1.511 10.524 -14.055 1.00 0.00 C ATOM 921 O ASN A 60 0.695 11.331 -13.610 1.00 0.00 O ATOM 922 CB ASN A 60 0.769 8.630 -12.599 1.00 0.00 C ATOM 923 CG ASN A 60 -0.136 7.413 -12.612 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.293 7.482 -12.196 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.389 6.291 -13.089 1.00 0.00 N ATOM 0 H ASN A 60 2.975 7.930 -13.581 1.00 0.00 H new ATOM 0 HA ASN A 60 0.449 8.793 -14.719 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.638 8.426 -11.974 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.240 9.468 -12.146 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.171 5.439 -13.121 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.353 6.281 -13.423 1.00 0.00 H new ATOM 932 N GLN A 61 2.665 10.890 -14.604 1.00 0.00 N ATOM 933 CA GLN A 61 3.047 12.292 -14.716 1.00 0.00 C ATOM 934 C GLN A 61 3.113 12.950 -13.342 1.00 0.00 C ATOM 935 O GLN A 61 2.915 14.157 -13.210 1.00 0.00 O ATOM 936 CB GLN A 61 2.056 13.043 -15.607 1.00 0.00 C ATOM 937 CG GLN A 61 1.829 12.382 -16.957 1.00 0.00 C ATOM 938 CD GLN A 61 0.545 12.839 -17.621 1.00 0.00 C ATOM 939 OE1 GLN A 61 0.550 13.758 -18.441 1.00 0.00 O ATOM 940 NE2 GLN A 61 -0.564 12.198 -17.272 1.00 0.00 N ATOM 0 H GLN A 61 3.351 10.235 -14.978 1.00 0.00 H new ATOM 0 HA GLN A 61 4.038 12.337 -15.168 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.102 13.124 -15.087 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.420 14.058 -15.766 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.671 12.604 -17.612 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.802 11.300 -16.828 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.522 11.442 -16.588 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.458 12.461 -17.688 1.00 0.00 H new ATOM 949 N SER A 62 3.393 12.146 -12.320 1.00 0.00 N ATOM 950 CA SER A 62 3.481 12.650 -10.954 1.00 0.00 C ATOM 951 C SER A 62 4.891 13.148 -10.649 1.00 0.00 C ATOM 952 O SER A 62 5.080 14.049 -9.831 1.00 0.00 O ATOM 953 CB SER A 62 3.088 11.556 -9.959 1.00 0.00 C ATOM 954 OG SER A 62 1.763 11.110 -10.190 1.00 0.00 O ATOM 0 H SER A 62 3.563 11.144 -12.412 1.00 0.00 H new ATOM 0 HA SER A 62 2.789 13.487 -10.856 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.778 10.717 -10.045 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.175 11.937 -8.941 1.00 0.00 H new ATOM 0 HG SER A 62 1.536 10.410 -9.543 1.00 0.00 H new ATOM 960 N VAL A 63 5.878 12.554 -11.312 1.00 0.00 N ATOM 961 CA VAL A 63 7.271 12.937 -11.114 1.00 0.00 C ATOM 962 C VAL A 63 7.972 13.171 -12.447 1.00 0.00 C ATOM 963 O VAL A 63 7.502 12.724 -13.494 1.00 0.00 O ATOM 964 CB VAL A 63 8.041 11.864 -10.322 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.669 11.917 -8.848 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.772 10.482 -10.899 1.00 0.00 C ATOM 0 H VAL A 63 5.739 11.806 -11.991 1.00 0.00 H new ATOM 0 HA VAL A 63 7.266 13.865 -10.543 1.00 0.00 H new ATOM 0 HB VAL A 63 9.108 12.069 -10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.223 11.151 -8.305 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.917 12.899 -8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.600 11.739 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.324 9.735 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.705 10.266 -10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.094 10.453 -11.940 1.00 0.00 H new ATOM 976 N ARG A 64 9.099 13.874 -12.402 1.00 0.00 N ATOM 977 CA ARG A 64 9.865 14.168 -13.607 1.00 0.00 C ATOM 978 C ARG A 64 10.697 12.961 -14.030 1.00 0.00 C ATOM 979 O ARG A 64 10.900 12.721 -15.219 1.00 0.00 O ATOM 980 CB ARG A 64 10.778 15.373 -13.375 1.00 0.00 C ATOM 981 CG ARG A 64 10.024 16.665 -13.105 1.00 0.00 C ATOM 982 CD ARG A 64 10.888 17.884 -13.389 1.00 0.00 C ATOM 983 NE ARG A 64 10.860 18.258 -14.800 1.00 0.00 N ATOM 984 CZ ARG A 64 11.679 19.155 -15.339 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.584 19.766 -14.588 1.00 0.00 N ATOM 986 NH2 ARG A 64 11.593 19.441 -16.631 1.00 0.00 N ATOM 0 H ARG A 64 9.502 14.251 -11.544 1.00 0.00 H new ATOM 0 HA ARG A 64 9.162 14.402 -14.406 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.436 15.163 -12.531 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.415 15.510 -14.249 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.128 16.701 -13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.695 16.685 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.542 18.723 -12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.915 17.678 -13.089 1.00 0.00 H new ATOM 0 HE ARG A 64 10.174 17.806 -15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.653 19.548 -13.594 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.212 20.454 -15.004 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.898 18.972 -17.212 1.00 0.00 H new ATOM 0 HH22 ARG A 64 12.222 20.130 -17.044 1.00 0.00 H new ATOM 1000 N ASN A 65 11.176 12.205 -13.047 1.00 0.00 N ATOM 1001 CA ASN A 65 11.987 11.023 -13.318 1.00 0.00 C ATOM 1002 C ASN A 65 11.887 10.020 -12.172 1.00 0.00 C ATOM 1003 O ASN A 65 11.148 10.234 -11.210 1.00 0.00 O ATOM 1004 CB ASN A 65 13.448 11.420 -13.537 1.00 0.00 C ATOM 1005 CG ASN A 65 14.223 11.513 -12.236 1.00 0.00 C ATOM 1006 OD1 ASN A 65 15.089 10.684 -11.956 1.00 0.00 O ATOM 1007 ND2 ASN A 65 13.913 12.525 -11.434 1.00 0.00 N ATOM 0 H ASN A 65 11.017 12.390 -12.057 1.00 0.00 H new ATOM 0 HA ASN A 65 11.606 10.552 -14.224 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.926 10.690 -14.190 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.488 12.381 -14.050 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.400 12.639 -10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.188 13.188 -11.707 1.00 0.00 H new ATOM 1014 N ARG A 66 12.635 8.928 -12.282 1.00 0.00 N ATOM 1015 CA ARG A 66 12.630 7.892 -11.256 1.00 0.00 C ATOM 1016 C ARG A 66 13.013 8.471 -9.897 1.00 0.00 C ATOM 1017 O ARG A 66 12.228 8.425 -8.950 1.00 0.00 O ATOM 1018 CB ARG A 66 13.596 6.767 -11.633 1.00 0.00 C ATOM 1019 CG ARG A 66 12.988 5.728 -12.562 1.00 0.00 C ATOM 1020 CD ARG A 66 12.923 6.232 -13.995 1.00 0.00 C ATOM 1021 NE ARG A 66 12.064 5.398 -14.831 1.00 0.00 N ATOM 1022 CZ ARG A 66 11.975 5.524 -16.150 1.00 0.00 C ATOM 1023 NH1 ARG A 66 12.690 6.446 -16.780 1.00 0.00 N ATOM 1024 NH2 ARG A 66 11.171 4.727 -16.841 1.00 0.00 N ATOM 0 H ARG A 66 13.252 8.737 -13.071 1.00 0.00 H new ATOM 0 HA ARG A 66 11.620 7.488 -11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.475 7.199 -12.111 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.938 6.273 -10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.580 4.813 -12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.985 5.474 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.551 7.257 -14.002 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.928 6.255 -14.417 1.00 0.00 H new ATOM 0 HE ARG A 66 11.501 4.679 -14.377 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.310 7.060 -16.251 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.620 6.541 -17.793 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.620 4.016 -16.359 1.00 0.00 H new ATOM 0 HH22 ARG A 66 11.103 4.825 -17.854 1.00 0.00 H new ATOM 1038 N GLN A 67 14.222 9.015 -9.811 1.00 0.00 N ATOM 1039 CA GLN A 67 14.708 9.602 -8.568 1.00 0.00 C ATOM 1040 C GLN A 67 13.622 10.437 -7.899 1.00 0.00 C ATOM 1041 O GLN A 67 13.389 10.321 -6.696 1.00 0.00 O ATOM 1042 CB GLN A 67 15.941 10.467 -8.835 1.00 0.00 C ATOM 1043 CG GLN A 67 17.251 9.698 -8.763 1.00 0.00 C ATOM 1044 CD GLN A 67 17.830 9.664 -7.362 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.227 10.694 -6.817 1.00 0.00 O ATOM 1046 NE2 GLN A 67 17.882 8.476 -6.772 1.00 0.00 N ATOM 0 H GLN A 67 14.883 9.062 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 67 14.982 8.789 -7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.849 10.921 -9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.967 11.281 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 67 17.089 8.678 -9.110 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.974 10.154 -9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 67 17.541 7.648 -7.261 1.00 0.00 H new ATOM 0 HE22 GLN A 67 18.262 8.391 -5.829 1.00 0.00 H new ATOM 1055 N GLU A 68 12.961 11.280 -8.686 1.00 0.00 N ATOM 1056 CA GLU A 68 11.900 12.135 -8.169 1.00 0.00 C ATOM 1057 C GLU A 68 10.841 11.311 -7.442 1.00 0.00 C ATOM 1058 O GLU A 68 10.286 11.744 -6.433 1.00 0.00 O ATOM 1059 CB GLU A 68 11.252 12.927 -9.307 1.00 0.00 C ATOM 1060 CG GLU A 68 11.960 14.235 -9.618 1.00 0.00 C ATOM 1061 CD GLU A 68 11.579 15.347 -8.661 1.00 0.00 C ATOM 1062 OE1 GLU A 68 10.465 15.894 -8.801 1.00 0.00 O ATOM 1063 OE2 GLU A 68 12.395 15.672 -7.773 1.00 0.00 O ATOM 0 H GLU A 68 13.142 11.389 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 68 12.345 12.831 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.236 12.310 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.215 13.138 -9.047 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.038 14.079 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.721 14.540 -10.637 1.00 0.00 H new ATOM 1070 N GLY A 69 10.568 10.118 -7.963 1.00 0.00 N ATOM 1071 CA GLY A 69 9.577 9.251 -7.352 1.00 0.00 C ATOM 1072 C GLY A 69 10.109 8.539 -6.124 1.00 0.00 C ATOM 1073 O GLY A 69 9.340 7.981 -5.339 1.00 0.00 O ATOM 0 H GLY A 69 11.015 9.737 -8.797 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.703 9.841 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.246 8.512 -8.082 1.00 0.00 H new ATOM 1077 N LEU A 70 11.426 8.554 -5.957 1.00 0.00 N ATOM 1078 CA LEU A 70 12.061 7.903 -4.816 1.00 0.00 C ATOM 1079 C LEU A 70 11.559 8.495 -3.503 1.00 0.00 C ATOM 1080 O LEU A 70 11.239 7.765 -2.565 1.00 0.00 O ATOM 1081 CB LEU A 70 13.581 8.044 -4.904 1.00 0.00 C ATOM 1082 CG LEU A 70 14.397 6.880 -4.340 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.777 6.371 -3.048 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.502 5.757 -5.362 1.00 0.00 C ATOM 0 H LEU A 70 12.076 9.010 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 70 11.799 6.845 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.853 8.179 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.872 8.954 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 70 15.402 7.239 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.371 5.543 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.755 7.176 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.761 6.029 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.086 4.937 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.504 5.400 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.992 6.129 -6.262 1.00 0.00 H new ATOM 1096 N MET A 71 11.491 9.820 -3.445 1.00 0.00 N ATOM 1097 CA MET A 71 11.025 10.510 -2.247 1.00 0.00 C ATOM 1098 C MET A 71 9.556 10.200 -1.979 1.00 0.00 C ATOM 1099 O MET A 71 9.199 9.727 -0.900 1.00 0.00 O ATOM 1100 CB MET A 71 11.221 12.020 -2.393 1.00 0.00 C ATOM 1101 CG MET A 71 12.528 12.401 -3.069 1.00 0.00 C ATOM 1102 SD MET A 71 13.960 11.614 -2.305 1.00 0.00 S ATOM 1103 CE MET A 71 15.052 11.456 -3.716 1.00 0.00 C ATOM 0 H MET A 71 11.752 10.438 -4.213 1.00 0.00 H new ATOM 0 HA MET A 71 11.614 10.155 -1.401 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.391 12.432 -2.967 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.185 12.480 -1.405 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.483 12.122 -4.122 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.650 13.484 -3.031 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.760 10.647 -3.539 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.465 11.236 -4.608 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.596 12.389 -3.861 1.00 0.00 H new ATOM 1113 N ILE A 72 8.709 10.469 -2.967 1.00 0.00 N ATOM 1114 CA ILE A 72 7.279 10.218 -2.837 1.00 0.00 C ATOM 1115 C ILE A 72 7.013 8.805 -2.327 1.00 0.00 C ATOM 1116 O ILE A 72 6.150 8.594 -1.476 1.00 0.00 O ATOM 1117 CB ILE A 72 6.548 10.413 -4.178 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.750 11.841 -4.691 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.067 10.104 -4.025 1.00 0.00 C ATOM 1120 CD1 ILE A 72 5.974 12.878 -3.910 1.00 0.00 C ATOM 0 H ILE A 72 8.988 10.861 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 72 6.897 10.941 -2.116 1.00 0.00 H new ATOM 0 HB ILE A 72 6.969 9.722 -4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.811 12.086 -4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.452 11.888 -5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.565 10.247 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.943 9.071 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.631 10.773 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.165 13.866 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.908 12.657 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.289 12.859 -2.867 1.00 0.00 H new ATOM 1132 N ALA A 73 7.762 7.842 -2.853 1.00 0.00 N ATOM 1133 CA ALA A 73 7.611 6.450 -2.449 1.00 0.00 C ATOM 1134 C ALA A 73 8.028 6.251 -0.996 1.00 0.00 C ATOM 1135 O ALA A 73 7.398 5.496 -0.256 1.00 0.00 O ATOM 1136 CB ALA A 73 8.423 5.543 -3.362 1.00 0.00 C ATOM 0 H ALA A 73 8.480 8.000 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 73 6.557 6.185 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.300 4.506 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.075 5.655 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.476 5.817 -3.304 1.00 0.00 H new ATOM 1142 N SER A 74 9.095 6.934 -0.593 1.00 0.00 N ATOM 1143 CA SER A 74 9.599 6.829 0.771 1.00 0.00 C ATOM 1144 C SER A 74 8.570 7.345 1.772 1.00 0.00 C ATOM 1145 O SER A 74 8.265 6.682 2.764 1.00 0.00 O ATOM 1146 CB SER A 74 10.905 7.613 0.917 1.00 0.00 C ATOM 1147 OG SER A 74 10.661 9.008 0.963 1.00 0.00 O ATOM 0 H SER A 74 9.627 7.566 -1.192 1.00 0.00 H new ATOM 0 HA SER A 74 9.789 5.776 0.981 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.420 7.301 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.566 7.384 0.081 1.00 0.00 H new ATOM 0 HG SER A 74 10.162 9.279 0.164 1.00 0.00 H new ATOM 1153 N SER A 75 8.037 8.533 1.505 1.00 0.00 N ATOM 1154 CA SER A 75 7.044 9.141 2.383 1.00 0.00 C ATOM 1155 C SER A 75 5.863 8.200 2.601 1.00 0.00 C ATOM 1156 O SER A 75 5.442 7.964 3.734 1.00 0.00 O ATOM 1157 CB SER A 75 6.555 10.465 1.795 1.00 0.00 C ATOM 1158 OG SER A 75 6.588 10.438 0.378 1.00 0.00 O ATOM 0 H SER A 75 8.276 9.094 0.687 1.00 0.00 H new ATOM 0 HA SER A 75 7.516 9.333 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.538 10.664 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.178 11.281 2.161 1.00 0.00 H new ATOM 0 HG SER A 75 6.313 9.552 0.061 1.00 0.00 H new ATOM 1164 N LEU A 76 5.331 7.666 1.507 1.00 0.00 N ATOM 1165 CA LEU A 76 4.198 6.750 1.576 1.00 0.00 C ATOM 1166 C LEU A 76 4.414 5.696 2.657 1.00 0.00 C ATOM 1167 O LEU A 76 3.470 5.275 3.326 1.00 0.00 O ATOM 1168 CB LEU A 76 3.982 6.072 0.222 1.00 0.00 C ATOM 1169 CG LEU A 76 3.280 6.912 -0.846 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.518 6.325 -2.229 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.790 7.008 -0.554 1.00 0.00 C ATOM 0 H LEU A 76 5.666 7.852 0.562 1.00 0.00 H new ATOM 0 HA LEU A 76 3.310 7.328 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.953 5.764 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.400 5.164 0.382 1.00 0.00 H new ATOM 0 HG LEU A 76 3.700 7.918 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.011 6.936 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.588 6.309 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.126 5.308 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.306 7.609 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.355 6.008 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.639 7.475 0.419 1.00 0.00 H new ATOM 1183 N LEU A 77 5.663 5.275 2.824 1.00 0.00 N ATOM 1184 CA LEU A 77 6.005 4.271 3.825 1.00 0.00 C ATOM 1185 C LEU A 77 6.070 4.892 5.217 1.00 0.00 C ATOM 1186 O LEU A 77 5.809 4.225 6.218 1.00 0.00 O ATOM 1187 CB LEU A 77 7.344 3.616 3.484 1.00 0.00 C ATOM 1188 CG LEU A 77 7.279 2.399 2.560 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.656 2.082 1.997 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.716 1.196 3.303 1.00 0.00 C ATOM 0 H LEU A 77 6.456 5.614 2.279 1.00 0.00 H new ATOM 0 HA LEU A 77 5.225 3.510 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.985 4.366 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.826 3.316 4.414 1.00 0.00 H new ATOM 0 HG LEU A 77 6.614 2.633 1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.590 1.213 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.023 2.937 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.343 1.868 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.677 0.339 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.356 0.961 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.711 1.425 3.658 1.00 0.00 H new ATOM 1202 N ASN A 78 6.418 6.173 5.273 1.00 0.00 N ATOM 1203 CA ASN A 78 6.515 6.884 6.542 1.00 0.00 C ATOM 1204 C ASN A 78 5.132 7.125 7.139 1.00 0.00 C ATOM 1205 O ASN A 78 4.973 7.186 8.358 1.00 0.00 O ATOM 1206 CB ASN A 78 7.238 8.219 6.349 1.00 0.00 C ATOM 1207 CG ASN A 78 8.739 8.095 6.528 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.216 7.273 7.311 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.491 8.912 5.801 1.00 0.00 N ATOM 0 H ASN A 78 6.638 6.740 4.454 1.00 0.00 H new ATOM 0 HA ASN A 78 7.087 6.265 7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.024 8.604 5.352 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.849 8.946 7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.507 8.874 5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.053 9.578 5.165 1.00 0.00 H new ATOM 1216 N GLU A 79 4.134 7.260 6.271 1.00 0.00 N ATOM 1217 CA GLU A 79 2.764 7.494 6.713 1.00 0.00 C ATOM 1218 C GLU A 79 2.040 6.174 6.961 1.00 0.00 C ATOM 1219 O GLU A 79 1.174 6.082 7.829 1.00 0.00 O ATOM 1220 CB GLU A 79 2.003 8.318 5.673 1.00 0.00 C ATOM 1221 CG GLU A 79 2.577 9.708 5.459 1.00 0.00 C ATOM 1222 CD GLU A 79 2.346 10.624 6.646 1.00 0.00 C ATOM 1223 OE1 GLU A 79 3.148 10.570 7.602 1.00 0.00 O ATOM 1224 OE2 GLU A 79 1.363 11.394 6.618 1.00 0.00 O ATOM 0 H GLU A 79 4.248 7.211 5.259 1.00 0.00 H new ATOM 0 HA GLU A 79 2.801 8.050 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.007 7.782 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.962 8.408 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.647 9.630 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.126 10.150 4.570 1.00 0.00 H new ATOM 1231 N GLY A 80 2.402 5.152 6.190 1.00 0.00 N ATOM 1232 CA GLY A 80 1.777 3.851 6.340 1.00 0.00 C ATOM 1233 C GLY A 80 1.088 3.389 5.071 1.00 0.00 C ATOM 1234 O GLY A 80 0.713 2.222 4.950 1.00 0.00 O ATOM 0 H GLY A 80 3.117 5.203 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.532 3.119 6.627 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.049 3.892 7.151 1.00 0.00 H new ATOM 1238 N TYR A 81 0.920 4.305 4.124 1.00 0.00 N ATOM 1239 CA TYR A 81 0.268 3.985 2.860 1.00 0.00 C ATOM 1240 C TYR A 81 0.855 2.716 2.249 1.00 0.00 C ATOM 1241 O TYR A 81 0.144 1.928 1.624 1.00 0.00 O ATOM 1242 CB TYR A 81 0.412 5.150 1.879 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.337 6.394 2.303 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.720 6.387 2.429 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.340 7.577 2.575 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.408 7.521 2.815 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.340 8.715 2.963 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.713 8.683 3.081 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.394 9.815 3.466 1.00 0.00 O ATOM 0 H TYR A 81 1.226 5.274 4.208 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.790 3.814 3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.469 5.392 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.053 4.836 0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.267 5.479 2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.416 7.607 2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.484 7.498 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.202 9.626 3.173 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.757 10.545 3.616 1.00 0.00 H new ATOM 1259 N LEU A 82 2.156 2.526 2.435 1.00 0.00 N ATOM 1260 CA LEU A 82 2.841 1.352 1.904 1.00 0.00 C ATOM 1261 C LEU A 82 3.576 0.603 3.011 1.00 0.00 C ATOM 1262 O LEU A 82 4.125 1.214 3.928 1.00 0.00 O ATOM 1263 CB LEU A 82 3.827 1.765 0.810 1.00 0.00 C ATOM 1264 CG LEU A 82 3.213 2.350 -0.462 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.286 2.995 -1.325 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.474 1.272 -1.242 1.00 0.00 C ATOM 0 H LEU A 82 2.758 3.169 2.949 1.00 0.00 H new ATOM 0 HA LEU A 82 2.091 0.686 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.515 2.499 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.420 0.893 0.535 1.00 0.00 H new ATOM 0 HG LEU A 82 2.496 3.119 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.830 3.406 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.770 3.796 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.028 2.247 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.043 1.706 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.170 0.480 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.678 0.857 -0.624 1.00 0.00 H new ATOM 1278 N GLN A 83 3.583 -0.723 2.918 1.00 0.00 N ATOM 1279 CA GLN A 83 4.252 -1.555 3.911 1.00 0.00 C ATOM 1280 C GLN A 83 5.290 -2.458 3.254 1.00 0.00 C ATOM 1281 O GLN A 83 5.073 -3.013 2.177 1.00 0.00 O ATOM 1282 CB GLN A 83 3.229 -2.401 4.670 1.00 0.00 C ATOM 1283 CG GLN A 83 2.241 -1.579 5.483 1.00 0.00 C ATOM 1284 CD GLN A 83 2.726 -1.314 6.894 1.00 0.00 C ATOM 1285 OE1 GLN A 83 3.264 -2.202 7.556 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.537 -0.086 7.364 1.00 0.00 N ATOM 0 H GLN A 83 3.133 -1.244 2.165 1.00 0.00 H new ATOM 0 HA GLN A 83 4.763 -0.898 4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.678 -3.015 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.757 -3.082 5.337 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.063 -0.629 4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.285 -2.102 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 83 2.087 0.620 6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.842 0.151 8.308 1.00 0.00 H new ATOM 1295 N PRO A 84 6.446 -2.610 3.916 1.00 0.00 N ATOM 1296 CA PRO A 84 7.542 -3.446 3.415 1.00 0.00 C ATOM 1297 C PRO A 84 7.206 -4.932 3.463 1.00 0.00 C ATOM 1298 O PRO A 84 6.501 -5.390 4.362 1.00 0.00 O ATOM 1299 CB PRO A 84 8.696 -3.127 4.369 1.00 0.00 C ATOM 1300 CG PRO A 84 8.035 -2.680 5.627 1.00 0.00 C ATOM 1301 CD PRO A 84 6.774 -1.979 5.206 1.00 0.00 C ATOM 0 HA PRO A 84 7.767 -3.240 2.369 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.322 -4.003 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.342 -2.348 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.812 -3.529 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.684 -2.010 6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.975 -2.117 5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.928 -0.905 5.100 1.00 0.00 H new ATOM 1309 N ALA A 85 7.714 -5.681 2.490 1.00 0.00 N ATOM 1310 CA ALA A 85 7.470 -7.116 2.424 1.00 0.00 C ATOM 1311 C ALA A 85 8.746 -7.875 2.078 1.00 0.00 C ATOM 1312 O ALA A 85 9.197 -7.864 0.933 1.00 0.00 O ATOM 1313 CB ALA A 85 6.381 -7.419 1.405 1.00 0.00 C ATOM 0 H ALA A 85 8.297 -5.317 1.736 1.00 0.00 H new ATOM 0 HA ALA A 85 7.136 -7.448 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.209 -8.495 1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.460 -6.914 1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.694 -7.065 0.422 1.00 0.00 H new ATOM 1319 N GLY A 86 9.326 -8.534 3.077 1.00 0.00 N ATOM 1320 CA GLY A 86 10.547 -9.289 2.858 1.00 0.00 C ATOM 1321 C GLY A 86 11.756 -8.632 3.494 1.00 0.00 C ATOM 1322 O GLY A 86 11.833 -7.407 3.577 1.00 0.00 O ATOM 0 H GLY A 86 8.973 -8.559 4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.427 -10.293 3.264 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.717 -9.396 1.787 1.00 0.00 H new ATOM 1326 N ASP A 87 12.701 -9.449 3.945 1.00 0.00 N ATOM 1327 CA ASP A 87 13.913 -8.941 4.578 1.00 0.00 C ATOM 1328 C ASP A 87 14.562 -7.860 3.719 1.00 0.00 C ATOM 1329 O ASP A 87 15.255 -6.980 4.230 1.00 0.00 O ATOM 1330 CB ASP A 87 14.904 -10.080 4.820 1.00 0.00 C ATOM 1331 CG ASP A 87 15.859 -9.785 5.960 1.00 0.00 C ATOM 1332 OD1 ASP A 87 16.760 -8.941 5.775 1.00 0.00 O ATOM 1333 OD2 ASP A 87 15.706 -10.398 7.037 1.00 0.00 O ATOM 0 H ASP A 87 12.652 -10.466 3.884 1.00 0.00 H new ATOM 0 HA ASP A 87 13.636 -8.502 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.354 -10.996 5.038 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.475 -10.260 3.909 1.00 0.00 H new ATOM 1338 N MET A 88 14.332 -7.932 2.412 1.00 0.00 N ATOM 1339 CA MET A 88 14.894 -6.959 1.483 1.00 0.00 C ATOM 1340 C MET A 88 14.682 -5.536 1.991 1.00 0.00 C ATOM 1341 O MET A 88 15.637 -4.846 2.348 1.00 0.00 O ATOM 1342 CB MET A 88 14.261 -7.119 0.099 1.00 0.00 C ATOM 1343 CG MET A 88 14.625 -6.004 -0.868 1.00 0.00 C ATOM 1344 SD MET A 88 16.406 -5.834 -1.093 1.00 0.00 S ATOM 1345 CE MET A 88 16.470 -5.037 -2.696 1.00 0.00 C ATOM 0 H MET A 88 13.761 -8.654 1.973 1.00 0.00 H new ATOM 0 HA MET A 88 15.966 -7.143 1.408 1.00 0.00 H new ATOM 0 HB2 MET A 88 14.572 -8.073 -0.326 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.177 -7.156 0.206 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.158 -6.199 -1.833 1.00 0.00 H new ATOM 0 HG3 MET A 88 14.218 -5.062 -0.501 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.375 -4.434 -2.767 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.477 -5.795 -3.479 1.00 0.00 H new ATOM 0 HE3 MET A 88 15.597 -4.397 -2.819 1.00 0.00 H new ATOM 1355 N SER A 89 13.426 -5.104 2.020 1.00 0.00 N ATOM 1356 CA SER A 89 13.090 -3.762 2.480 1.00 0.00 C ATOM 1357 C SER A 89 13.095 -3.693 4.004 1.00 0.00 C ATOM 1358 O SER A 89 13.644 -2.762 4.594 1.00 0.00 O ATOM 1359 CB SER A 89 11.719 -3.345 1.945 1.00 0.00 C ATOM 1360 OG SER A 89 11.244 -2.185 2.606 1.00 0.00 O ATOM 0 H SER A 89 12.624 -5.664 1.730 1.00 0.00 H new ATOM 0 HA SER A 89 13.846 -3.075 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.786 -3.155 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.009 -4.161 2.080 1.00 0.00 H new ATOM 0 HG SER A 89 10.497 -1.802 2.099 1.00 0.00 H new ATOM 1366 N LYS A 90 12.480 -4.686 4.637 1.00 0.00 N ATOM 1367 CA LYS A 90 12.414 -4.742 6.093 1.00 0.00 C ATOM 1368 C LYS A 90 13.720 -4.262 6.716 1.00 0.00 C ATOM 1369 O LYS A 90 13.725 -3.682 7.802 1.00 0.00 O ATOM 1370 CB LYS A 90 12.109 -6.168 6.556 1.00 0.00 C ATOM 1371 CG LYS A 90 10.624 -6.472 6.657 1.00 0.00 C ATOM 1372 CD LYS A 90 10.371 -7.957 6.851 1.00 0.00 C ATOM 1373 CE LYS A 90 8.885 -8.281 6.796 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.640 -9.746 6.703 1.00 0.00 N ATOM 0 H LYS A 90 12.020 -5.464 4.164 1.00 0.00 H new ATOM 0 HA LYS A 90 11.612 -4.081 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.569 -6.872 5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.571 -6.331 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.194 -5.917 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.120 -6.131 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.896 -8.521 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.778 -8.274 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.394 -7.887 7.686 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.436 -7.782 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.616 -9.925 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.087 -10.119 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.046 -10.219 7.535 1.00 0.00 H new ATOM 1388 N SER A 91 14.827 -4.505 6.020 1.00 0.00 N ATOM 1389 CA SER A 91 16.140 -4.100 6.507 1.00 0.00 C ATOM 1390 C SER A 91 16.379 -2.614 6.252 1.00 0.00 C ATOM 1391 O SER A 91 16.869 -1.895 7.122 1.00 0.00 O ATOM 1392 CB SER A 91 17.236 -4.927 5.832 1.00 0.00 C ATOM 1393 OG SER A 91 17.448 -6.149 6.518 1.00 0.00 O ATOM 0 H SER A 91 14.840 -4.980 5.118 1.00 0.00 H new ATOM 0 HA SER A 91 16.172 -4.277 7.582 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.958 -5.130 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.164 -4.355 5.806 1.00 0.00 H new ATOM 0 HG SER A 91 17.093 -6.890 5.984 1.00 0.00 H new ATOM 1399 N ALA A 92 16.029 -2.163 5.052 1.00 0.00 N ATOM 1400 CA ALA A 92 16.202 -0.764 4.682 1.00 0.00 C ATOM 1401 C ALA A 92 15.364 0.148 5.571 1.00 0.00 C ATOM 1402 O ALA A 92 15.842 1.175 6.052 1.00 0.00 O ATOM 1403 CB ALA A 92 15.840 -0.556 3.219 1.00 0.00 C ATOM 0 H ALA A 92 15.624 -2.746 4.320 1.00 0.00 H new ATOM 0 HA ALA A 92 17.251 -0.504 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.974 0.493 2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.486 -1.172 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.800 -0.840 3.057 1.00 0.00 H new ATOM 1409 N VAL A 93 14.108 -0.234 5.785 1.00 0.00 N ATOM 1410 CA VAL A 93 13.203 0.549 6.617 1.00 0.00 C ATOM 1411 C VAL A 93 13.726 0.661 8.045 1.00 0.00 C ATOM 1412 O VAL A 93 13.621 1.714 8.674 1.00 0.00 O ATOM 1413 CB VAL A 93 11.792 -0.069 6.647 1.00 0.00 C ATOM 1414 CG1 VAL A 93 11.163 -0.032 5.262 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.846 -1.494 7.178 1.00 0.00 C ATOM 0 H VAL A 93 13.695 -1.081 5.394 1.00 0.00 H new ATOM 0 HA VAL A 93 13.148 1.543 6.174 1.00 0.00 H new ATOM 0 HB VAL A 93 11.170 0.522 7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.167 -0.473 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.089 1.001 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.782 -0.598 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.841 -1.915 7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.484 -2.099 6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.252 -1.490 8.189 1.00 0.00 H new ATOM 1425 N ASP A 94 14.291 -0.430 8.550 1.00 0.00 N ATOM 1426 CA ASP A 94 14.833 -0.454 9.903 1.00 0.00 C ATOM 1427 C ASP A 94 16.356 -0.372 9.880 1.00 0.00 C ATOM 1428 O ASP A 94 17.039 -1.126 10.572 1.00 0.00 O ATOM 1429 CB ASP A 94 14.389 -1.725 10.631 1.00 0.00 C ATOM 1430 CG ASP A 94 14.660 -1.663 12.121 1.00 0.00 C ATOM 1431 OD1 ASP A 94 15.515 -0.852 12.535 1.00 0.00 O ATOM 1432 OD2 ASP A 94 14.018 -2.425 12.873 1.00 0.00 O ATOM 0 H ASP A 94 14.386 -1.310 8.042 1.00 0.00 H new ATOM 0 HA ASP A 94 14.448 0.415 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.323 -1.882 10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.908 -2.584 10.206 1.00 0.00 H new ATOM 1483 N ASN A 99 16.351 7.071 3.096 1.00 0.00 N ATOM 1484 CA ASN A 99 15.098 6.644 2.484 1.00 0.00 C ATOM 1485 C ASN A 99 14.869 5.151 2.699 1.00 0.00 C ATOM 1486 O ASN A 99 15.601 4.305 2.185 1.00 0.00 O ATOM 1487 CB ASN A 99 15.103 6.961 0.987 1.00 0.00 C ATOM 1488 CG ASN A 99 15.212 8.448 0.711 1.00 0.00 C ATOM 1489 OD1 ASN A 99 14.469 9.251 1.274 1.00 0.00 O ATOM 1490 ND2 ASN A 99 16.143 8.821 -0.161 1.00 0.00 N ATOM 0 HA ASN A 99 14.285 7.191 2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.937 6.444 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.189 6.576 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.264 9.808 -0.387 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.737 8.120 -0.604 1.00 0.00 H new ATOM 1497 N PRO A 100 13.827 4.819 3.476 1.00 0.00 N ATOM 1498 CA PRO A 100 13.476 3.427 3.776 1.00 0.00 C ATOM 1499 C PRO A 100 12.928 2.692 2.558 1.00 0.00 C ATOM 1500 O PRO A 100 12.549 1.524 2.643 1.00 0.00 O ATOM 1501 CB PRO A 100 12.396 3.558 4.852 1.00 0.00 C ATOM 1502 CG PRO A 100 11.796 4.903 4.625 1.00 0.00 C ATOM 1503 CD PRO A 100 12.912 5.775 4.121 1.00 0.00 C ATOM 0 HA PRO A 100 14.343 2.847 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.648 2.770 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.822 3.478 5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.984 4.851 3.900 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.374 5.303 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.550 6.523 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.400 6.313 4.934 1.00 0.00 H new ATOM 1511 N PHE A 101 12.888 3.384 1.423 1.00 0.00 N ATOM 1512 CA PHE A 101 12.385 2.796 0.187 1.00 0.00 C ATOM 1513 C PHE A 101 13.535 2.343 -0.707 1.00 0.00 C ATOM 1514 O PHE A 101 14.654 2.847 -0.603 1.00 0.00 O ATOM 1515 CB PHE A 101 11.509 3.803 -0.561 1.00 0.00 C ATOM 1516 CG PHE A 101 10.542 3.163 -1.516 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.948 2.786 -2.786 1.00 0.00 C ATOM 1518 CD2 PHE A 101 9.226 2.938 -1.142 1.00 0.00 C ATOM 1519 CE1 PHE A 101 10.059 2.198 -3.666 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.334 2.349 -2.018 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.751 1.978 -3.281 1.00 0.00 C ATOM 0 H PHE A 101 13.198 4.352 1.334 1.00 0.00 H new ATOM 0 HA PHE A 101 11.785 1.924 0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.952 4.397 0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 101 12.150 4.491 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.970 2.953 -3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.894 3.226 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.387 1.911 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.311 2.179 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.056 1.517 -3.967 1.00 0.00 H new ATOM 1531 N LEU A 102 13.253 1.387 -1.585 1.00 0.00 N ATOM 1532 CA LEU A 102 14.263 0.863 -2.498 1.00 0.00 C ATOM 1533 C LEU A 102 13.715 0.766 -3.918 1.00 0.00 C ATOM 1534 O LEU A 102 12.785 0.006 -4.185 1.00 0.00 O ATOM 1535 CB LEU A 102 14.740 -0.512 -2.028 1.00 0.00 C ATOM 1536 CG LEU A 102 15.068 -0.636 -0.540 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.920 -2.078 -0.079 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.473 -0.126 -0.259 1.00 0.00 C ATOM 0 H LEU A 102 12.333 0.959 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 102 15.108 1.552 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.970 -1.244 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.629 -0.781 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 102 14.362 -0.023 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.158 -2.147 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.895 -2.409 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.602 -2.713 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.689 -0.222 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 102 17.194 -0.712 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.545 0.922 -0.551 1.00 0.00 H new ATOM 1550 N ASP A 103 14.300 1.540 -4.826 1.00 0.00 N ATOM 1551 CA ASP A 103 13.873 1.539 -6.221 1.00 0.00 C ATOM 1552 C ASP A 103 14.362 0.284 -6.937 1.00 0.00 C ATOM 1553 O ASP A 103 14.871 0.354 -8.055 1.00 0.00 O ATOM 1554 CB ASP A 103 14.395 2.786 -6.937 1.00 0.00 C ATOM 1555 CG ASP A 103 14.142 2.744 -8.431 1.00 0.00 C ATOM 1556 OD1 ASP A 103 13.062 2.265 -8.837 1.00 0.00 O ATOM 1557 OD2 ASP A 103 15.023 3.190 -9.194 1.00 0.00 O ATOM 0 H ASP A 103 15.071 2.176 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 103 12.783 1.547 -6.242 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.917 3.670 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.465 2.885 -6.755 1.00 0.00 H new ATOM 1562 N ASN A 104 14.203 -0.863 -6.285 1.00 0.00 N ATOM 1563 CA ASN A 104 14.630 -2.134 -6.860 1.00 0.00 C ATOM 1564 C ASN A 104 13.428 -3.023 -7.166 1.00 0.00 C ATOM 1565 O ASN A 104 12.433 -3.036 -6.441 1.00 0.00 O ATOM 1566 CB ASN A 104 15.582 -2.856 -5.904 1.00 0.00 C ATOM 1567 CG ASN A 104 17.039 -2.599 -6.236 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.413 -2.500 -7.405 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.870 -2.490 -5.206 1.00 0.00 N ATOM 0 H ASN A 104 13.782 -0.939 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 104 15.153 -1.925 -7.793 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.382 -2.532 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.387 -3.928 -5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.862 -2.317 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.516 -2.579 -4.254 1.00 0.00 H new ATOM 1576 N PRO A 105 13.521 -3.785 -8.267 1.00 0.00 N ATOM 1577 CA PRO A 105 12.451 -4.692 -8.694 1.00 0.00 C ATOM 1578 C PRO A 105 12.298 -5.887 -7.760 1.00 0.00 C ATOM 1579 O PRO A 105 11.397 -6.709 -7.932 1.00 0.00 O ATOM 1580 CB PRO A 105 12.909 -5.151 -10.081 1.00 0.00 C ATOM 1581 CG PRO A 105 14.391 -5.005 -10.058 1.00 0.00 C ATOM 1582 CD PRO A 105 14.677 -3.819 -9.178 1.00 0.00 C ATOM 0 HA PRO A 105 11.476 -4.204 -8.692 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.616 -6.183 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.463 -4.541 -10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.866 -5.905 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.783 -4.849 -11.063 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.614 -3.939 -8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 105 14.760 -2.899 -9.757 1.00 0.00 H new ATOM 1590 N ASP A 106 13.181 -5.978 -6.773 1.00 0.00 N ATOM 1591 CA ASP A 106 13.143 -7.073 -5.810 1.00 0.00 C ATOM 1592 C ASP A 106 12.367 -6.671 -4.560 1.00 0.00 C ATOM 1593 O ASP A 106 11.623 -7.471 -3.994 1.00 0.00 O ATOM 1594 CB ASP A 106 14.563 -7.497 -5.430 1.00 0.00 C ATOM 1595 CG ASP A 106 15.236 -8.307 -6.521 1.00 0.00 C ATOM 1596 OD1 ASP A 106 14.592 -9.234 -7.056 1.00 0.00 O ATOM 1597 OD2 ASP A 106 16.407 -8.013 -6.840 1.00 0.00 O ATOM 0 H ASP A 106 13.933 -5.306 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 106 12.633 -7.916 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.160 -6.610 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.531 -8.085 -4.513 1.00 0.00 H new ATOM 1602 N ALA A 107 12.547 -5.425 -4.134 1.00 0.00 N ATOM 1603 CA ALA A 107 11.863 -4.916 -2.951 1.00 0.00 C ATOM 1604 C ALA A 107 10.350 -5.007 -3.110 1.00 0.00 C ATOM 1605 O ALA A 107 9.755 -4.288 -3.914 1.00 0.00 O ATOM 1606 CB ALA A 107 12.282 -3.479 -2.677 1.00 0.00 C ATOM 0 H ALA A 107 13.160 -4.750 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 107 12.150 -5.535 -2.101 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.764 -3.112 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.358 -3.439 -2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.024 -2.855 -3.533 1.00 0.00 H new ATOM 1612 N PHE A 108 9.731 -5.896 -2.340 1.00 0.00 N ATOM 1613 CA PHE A 108 8.286 -6.082 -2.397 1.00 0.00 C ATOM 1614 C PHE A 108 7.571 -5.067 -1.510 1.00 0.00 C ATOM 1615 O PHE A 108 8.163 -4.509 -0.585 1.00 0.00 O ATOM 1616 CB PHE A 108 7.916 -7.503 -1.966 1.00 0.00 C ATOM 1617 CG PHE A 108 8.787 -8.562 -2.580 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.952 -8.630 -3.954 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.439 -9.489 -1.784 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.753 -9.602 -4.523 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.242 -10.463 -2.347 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.398 -10.521 -3.718 1.00 0.00 C ATOM 0 H PHE A 108 10.208 -6.499 -1.669 1.00 0.00 H new ATOM 0 HA PHE A 108 7.965 -5.927 -3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.983 -7.574 -0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.878 -7.697 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.449 -7.915 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.319 -9.450 -0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.875 -9.643 -5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 108 10.747 -11.178 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.023 -11.283 -4.160 1.00 0.00 H new ATOM 1632 N TYR A 109 6.296 -4.833 -1.798 1.00 0.00 N ATOM 1633 CA TYR A 109 5.500 -3.884 -1.029 1.00 0.00 C ATOM 1634 C TYR A 109 4.017 -4.235 -1.097 1.00 0.00 C ATOM 1635 O TYR A 109 3.578 -4.954 -1.995 1.00 0.00 O ATOM 1636 CB TYR A 109 5.724 -2.462 -1.547 1.00 0.00 C ATOM 1637 CG TYR A 109 7.061 -1.877 -1.153 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.358 -1.603 0.177 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.030 -1.600 -2.110 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.578 -1.068 0.541 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.254 -1.067 -1.755 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.523 -0.802 -0.428 1.00 0.00 C ATOM 1643 OH TYR A 109 10.740 -0.271 -0.069 1.00 0.00 O ATOM 0 H TYR A 109 5.791 -5.288 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 109 5.820 -3.939 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.644 -2.464 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.930 -1.818 -1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.622 -1.812 0.939 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.822 -1.805 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.791 -0.859 1.579 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.996 -0.859 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 109 11.427 -0.571 -0.701 1.00 0.00 H new ATOM 1653 N TYR A 110 3.250 -3.721 -0.142 1.00 0.00 N ATOM 1654 CA TYR A 110 1.816 -3.980 -0.091 1.00 0.00 C ATOM 1655 C TYR A 110 1.085 -2.856 0.636 1.00 0.00 C ATOM 1656 O TYR A 110 1.679 -2.122 1.426 1.00 0.00 O ATOM 1657 CB TYR A 110 1.542 -5.315 0.603 1.00 0.00 C ATOM 1658 CG TYR A 110 1.821 -5.293 2.089 1.00 0.00 C ATOM 1659 CD1 TYR A 110 0.839 -4.911 2.995 1.00 0.00 C ATOM 1660 CD2 TYR A 110 3.067 -5.654 2.588 1.00 0.00 C ATOM 1661 CE1 TYR A 110 1.090 -4.888 4.353 1.00 0.00 C ATOM 1662 CE2 TYR A 110 3.326 -5.636 3.944 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.335 -5.252 4.823 1.00 0.00 C ATOM 1664 OH TYR A 110 2.589 -5.232 6.175 1.00 0.00 O ATOM 0 H TYR A 110 3.597 -3.122 0.607 1.00 0.00 H new ATOM 0 HA TYR A 110 1.444 -4.028 -1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.500 -5.592 0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.153 -6.089 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.137 -4.627 2.631 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.846 -5.954 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.316 -4.587 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.300 -5.921 4.314 1.00 0.00 H new ATOM 0 HH TYR A 110 3.512 -5.517 6.339 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.210 -2.728 0.365 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.024 -1.694 0.992 1.00 0.00 C ATOM 1676 C PHE A 111 -1.687 -2.220 2.262 1.00 0.00 C ATOM 1677 O PHE A 111 -2.080 -3.384 2.352 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.091 -1.194 0.016 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.526 -0.660 -1.269 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.754 0.490 -1.276 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.765 -1.310 -2.469 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.233 0.984 -2.458 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.246 -0.821 -3.653 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.478 0.326 -3.647 1.00 0.00 C ATOM 0 H PHE A 111 -0.718 -3.328 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.370 -0.865 1.261 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.777 -2.011 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.676 -0.411 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.557 1.007 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.364 -2.209 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.365 1.883 -2.451 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.441 -1.336 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.069 0.708 -4.571 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.814 -1.343 3.269 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.429 -1.695 4.552 1.00 0.00 C ATOM 1696 C PRO A 112 -3.932 -1.924 4.432 1.00 0.00 C ATOM 1697 O PRO A 112 -4.594 -2.282 5.406 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.143 -0.474 5.429 1.00 0.00 C ATOM 1699 CG PRO A 112 -1.984 0.654 4.469 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.369 0.060 3.232 1.00 0.00 C ATOM 0 HA PRO A 112 -2.031 -2.628 4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.960 -0.288 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.241 -0.617 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -2.946 1.114 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.347 1.434 4.886 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.712 0.567 2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.282 0.137 3.247 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.463 -1.716 3.233 1.00 0.00 N ATOM 1709 CA ASP A 113 -5.888 -1.902 2.985 1.00 0.00 C ATOM 1710 C ASP A 113 -6.129 -3.104 2.077 1.00 0.00 C ATOM 1711 O ASP A 113 -7.081 -3.860 2.271 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.486 -0.643 2.355 1.00 0.00 C ATOM 1713 CG ASP A 113 -7.880 -0.876 1.807 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -8.800 -1.125 2.613 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -8.051 -0.810 0.571 1.00 0.00 O ATOM 0 H ASP A 113 -3.928 -1.418 2.417 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.377 -2.088 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.520 0.152 3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -5.836 -0.298 1.551 1.00 0.00 H new ATOM 1720 N SER A 114 -5.262 -3.273 1.084 1.00 0.00 N ATOM 1721 CA SER A 114 -5.384 -4.379 0.142 1.00 0.00 C ATOM 1722 C SER A 114 -5.443 -5.715 0.878 1.00 0.00 C ATOM 1723 O SER A 114 -6.357 -6.511 0.669 1.00 0.00 O ATOM 1724 CB SER A 114 -4.209 -4.375 -0.837 1.00 0.00 C ATOM 1725 OG SER A 114 -4.453 -5.242 -1.931 1.00 0.00 O ATOM 0 H SER A 114 -4.467 -2.658 0.911 1.00 0.00 H new ATOM 0 HA SER A 114 -6.312 -4.249 -0.415 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.040 -3.362 -1.203 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.300 -4.683 -0.320 1.00 0.00 H new ATOM 0 HG SER A 114 -3.605 -5.462 -2.370 1.00 0.00 H new ATOM 1731 N GLY A 115 -4.460 -5.951 1.742 1.00 0.00 N ATOM 1732 CA GLY A 115 -4.417 -7.190 2.496 1.00 0.00 C ATOM 1733 C GLY A 115 -3.374 -8.155 1.969 1.00 0.00 C ATOM 1734 O GLY A 115 -3.662 -8.981 1.103 1.00 0.00 O ATOM 0 H GLY A 115 -3.693 -5.306 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.206 -6.968 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.397 -7.666 2.463 1.00 0.00 H new ATOM 1738 N PHE A 116 -2.156 -8.049 2.490 1.00 0.00 N ATOM 1739 CA PHE A 116 -1.064 -8.917 2.064 1.00 0.00 C ATOM 1740 C PHE A 116 -0.984 -10.162 2.943 1.00 0.00 C ATOM 1741 O PHE A 116 -1.084 -10.078 4.167 1.00 0.00 O ATOM 1742 CB PHE A 116 0.265 -8.160 2.110 1.00 0.00 C ATOM 1743 CG PHE A 116 1.456 -9.053 2.310 1.00 0.00 C ATOM 1744 CD1 PHE A 116 1.932 -9.838 1.272 1.00 0.00 C ATOM 1745 CD2 PHE A 116 2.101 -9.107 3.535 1.00 0.00 C ATOM 1746 CE1 PHE A 116 3.028 -10.661 1.453 1.00 0.00 C ATOM 1747 CE2 PHE A 116 3.197 -9.928 3.722 1.00 0.00 C ATOM 1748 CZ PHE A 116 3.662 -10.705 2.679 1.00 0.00 C ATOM 0 H PHE A 116 -1.900 -7.371 3.208 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.261 -9.230 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 116 0.390 -7.604 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 116 0.230 -7.428 2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 116 1.441 -9.807 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 116 1.743 -8.500 4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 116 3.388 -11.269 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.689 -9.962 4.683 1.00 0.00 H new ATOM 0 HZ PHE A 116 4.520 -11.346 2.822 1.00 0.00 H new ATOM 1758 N PHE A 117 -0.805 -11.316 2.309 1.00 0.00 N ATOM 1759 CA PHE A 117 -0.714 -12.579 3.032 1.00 0.00 C ATOM 1760 C PHE A 117 0.481 -13.396 2.550 1.00 0.00 C ATOM 1761 O PHE A 117 0.691 -13.558 1.347 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.002 -13.386 2.857 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.030 -14.204 1.598 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.371 -15.421 1.531 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -2.716 -13.756 0.480 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.395 -16.175 0.373 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -2.744 -14.506 -0.680 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.084 -15.717 -0.733 1.00 0.00 C ATOM 0 H PHE A 117 -0.720 -11.403 1.296 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.576 -12.354 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.126 -14.048 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -2.852 -12.703 2.856 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.832 -15.785 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.235 -12.809 0.516 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.876 -17.121 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.282 -14.145 -1.544 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.106 -16.306 -1.638 1.00 0.00 H new ATOM 1778 N CYS A 118 1.261 -13.908 3.496 1.00 0.00 N ATOM 1779 CA CYS A 118 2.436 -14.708 3.169 1.00 0.00 C ATOM 1780 C CYS A 118 2.155 -16.194 3.367 1.00 0.00 C ATOM 1781 O CYS A 118 1.634 -16.603 4.404 1.00 0.00 O ATOM 1782 CB CYS A 118 3.625 -14.282 4.032 1.00 0.00 C ATOM 1783 SG CYS A 118 3.406 -14.600 5.798 1.00 0.00 S ATOM 0 H CYS A 118 1.101 -13.783 4.496 1.00 0.00 H new ATOM 0 HA CYS A 118 2.679 -14.540 2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.517 -14.806 3.687 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.804 -13.217 3.885 1.00 0.00 H new ATOM 0 HG CYS A 118 2.565 -15.577 5.962 1.00 0.00 H new ATOM 1789 N GLU A 119 2.501 -16.995 2.365 1.00 0.00 N ATOM 1790 CA GLU A 119 2.283 -18.436 2.429 1.00 0.00 C ATOM 1791 C GLU A 119 3.605 -19.191 2.325 1.00 0.00 C ATOM 1792 O GLU A 119 4.303 -19.105 1.315 1.00 0.00 O ATOM 1793 CB GLU A 119 1.339 -18.881 1.310 1.00 0.00 C ATOM 1794 CG GLU A 119 1.822 -18.502 -0.080 1.00 0.00 C ATOM 1795 CD GLU A 119 0.810 -18.836 -1.160 1.00 0.00 C ATOM 1796 OE1 GLU A 119 -0.144 -19.586 -0.866 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.973 -18.348 -2.297 1.00 0.00 O ATOM 0 H GLU A 119 2.933 -16.671 1.500 1.00 0.00 H new ATOM 0 HA GLU A 119 1.828 -18.667 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.214 -19.963 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.357 -18.439 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.038 -17.434 -0.107 1.00 0.00 H new ATOM 0 HG3 GLU A 119 2.757 -19.021 -0.290 1.00 0.00 H new