USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 642 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 33 HIS : no HE2:sc= -1.99! C(o=-2!,f=-8.7!) USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.261 K(o=-0.26,f=-1.5) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 22:sc= 0.363 USER MOD Single : A 27 CYS SG : rot -19:sc= -0.522 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-2.9!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -11.1! C(o=-11!,f=-20!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 55 CYS SG : rot 77:sc= -3.49 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -79:sc= -0.35 USER MOD Single : A 73 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-5.9!) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= -0.0237 (180deg=-0.275) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.108) USER MOD Single : A 84 LYS NZ :NH3+ 146:sc= 1.26 (180deg=0.222) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 89 MET CE :methyl -146:sc= -1.32 (180deg=-4.29!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 62:sc= 0.694 USER MOD ----------------------------------------------------------------- ATOM 136 N TYR A 13 -2.826 -10.307 7.080 1.00 0.00 N ATOM 137 CA TYR A 13 -2.136 -11.015 6.008 1.00 0.00 C ATOM 138 C TYR A 13 -2.934 -10.948 4.710 1.00 0.00 C ATOM 139 O TYR A 13 -3.866 -11.725 4.499 1.00 0.00 O ATOM 140 CB TYR A 13 -1.901 -12.474 6.401 1.00 0.00 C ATOM 141 CG TYR A 13 -3.142 -13.172 6.910 1.00 0.00 C ATOM 142 CD1 TYR A 13 -3.540 -13.044 8.235 1.00 0.00 C ATOM 143 CD2 TYR A 13 -3.916 -13.959 6.067 1.00 0.00 C ATOM 144 CE1 TYR A 13 -4.673 -13.680 8.705 1.00 0.00 C ATOM 145 CE2 TYR A 13 -5.051 -14.598 6.528 1.00 0.00 C ATOM 146 CZ TYR A 13 -5.425 -14.455 7.848 1.00 0.00 C ATOM 147 OH TYR A 13 -6.555 -15.090 8.311 1.00 0.00 O ATOM 0 HA TYR A 13 -1.173 -10.530 5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.518 -13.017 5.537 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.130 -12.514 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.954 -12.437 8.909 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.626 -14.073 5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.968 -13.571 9.738 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.642 -15.206 5.859 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.970 -15.594 7.580 1.00 0.00 H new ATOM 157 N LEU A 14 -2.560 -10.015 3.841 1.00 0.00 N ATOM 158 CA LEU A 14 -3.239 -9.846 2.561 1.00 0.00 C ATOM 159 C LEU A 14 -2.422 -10.455 1.426 1.00 0.00 C ATOM 160 O LEU A 14 -1.313 -10.943 1.639 1.00 0.00 O ATOM 161 CB LEU A 14 -3.488 -8.362 2.286 1.00 0.00 C ATOM 162 CG LEU A 14 -4.394 -7.637 3.282 1.00 0.00 C ATOM 163 CD1 LEU A 14 -4.242 -6.130 3.143 1.00 0.00 C ATOM 164 CD2 LEU A 14 -5.845 -8.049 3.080 1.00 0.00 C ATOM 0 H LEU A 14 -1.791 -9.364 3.999 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.196 -10.365 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.525 -7.851 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.924 -8.266 1.292 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.093 -7.920 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.894 -5.631 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.207 -5.849 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.516 -5.828 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.476 -7.524 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.158 -7.795 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.942 -9.124 3.231 1.00 0.00 H new ATOM 176 N ASN A 15 -2.977 -10.420 0.219 1.00 0.00 N ATOM 177 CA ASN A 15 -2.299 -10.968 -0.950 1.00 0.00 C ATOM 178 C ASN A 15 -1.739 -9.852 -1.827 1.00 0.00 C ATOM 179 O ASN A 15 -2.487 -9.137 -2.494 1.00 0.00 O ATOM 180 CB ASN A 15 -3.261 -11.836 -1.763 1.00 0.00 C ATOM 181 CG ASN A 15 -3.258 -13.283 -1.310 1.00 0.00 C ATOM 182 OD1 ASN A 15 -2.201 -13.871 -1.079 1.00 0.00 O ATOM 183 ND2 ASN A 15 -4.444 -13.866 -1.181 1.00 0.00 N ATOM 0 H ASN A 15 -3.894 -10.018 0.025 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.470 -11.584 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.270 -11.433 -1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.987 -11.788 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.504 -14.839 -0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.295 -13.341 -1.383 1.00 0.00 H new ATOM 190 N VAL A 16 -0.418 -9.708 -1.820 1.00 0.00 N ATOM 191 CA VAL A 16 0.243 -8.680 -2.615 1.00 0.00 C ATOM 192 C VAL A 16 0.683 -9.229 -3.967 1.00 0.00 C ATOM 193 O VAL A 16 1.566 -10.085 -4.045 1.00 0.00 O ATOM 194 CB VAL A 16 1.471 -8.107 -1.882 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.081 -6.962 -2.677 1.00 0.00 C ATOM 196 CG2 VAL A 16 1.090 -7.651 -0.482 1.00 0.00 C ATOM 0 H VAL A 16 0.216 -10.290 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.484 -7.883 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 16 2.219 -8.894 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.947 -6.570 -2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.392 -7.324 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.342 -6.170 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.969 -7.249 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.324 -6.878 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.703 -8.498 0.084 1.00 0.00 H new ATOM 206 N LEU A 17 0.062 -8.733 -5.031 1.00 0.00 N ATOM 207 CA LEU A 17 0.390 -9.174 -6.383 1.00 0.00 C ATOM 208 C LEU A 17 1.891 -9.087 -6.635 1.00 0.00 C ATOM 209 O LEU A 17 2.520 -8.065 -6.359 1.00 0.00 O ATOM 210 CB LEU A 17 -0.362 -8.328 -7.412 1.00 0.00 C ATOM 211 CG LEU A 17 -0.431 -8.899 -8.829 1.00 0.00 C ATOM 212 CD1 LEU A 17 -1.296 -10.150 -8.859 1.00 0.00 C ATOM 213 CD2 LEU A 17 -0.965 -7.856 -9.799 1.00 0.00 C ATOM 0 H LEU A 17 -0.671 -8.025 -4.984 1.00 0.00 H new ATOM 0 HA LEU A 17 0.084 -10.215 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.380 -8.176 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.109 -7.346 -7.460 1.00 0.00 H new ATOM 0 HG LEU A 17 0.578 -9.172 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.333 -10.542 -9.875 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.871 -10.903 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.305 -9.903 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.007 -8.280 -10.802 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.965 -7.551 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.306 -6.988 -9.799 1.00 0.00 H new ATOM 225 N VAL A 18 2.461 -10.165 -7.164 1.00 0.00 N ATOM 226 CA VAL A 18 3.888 -10.210 -7.457 1.00 0.00 C ATOM 227 C VAL A 18 4.156 -10.922 -8.779 1.00 0.00 C ATOM 228 O VAL A 18 3.885 -12.113 -8.920 1.00 0.00 O ATOM 229 CB VAL A 18 4.669 -10.922 -6.336 1.00 0.00 C ATOM 230 CG1 VAL A 18 6.103 -11.186 -6.769 1.00 0.00 C ATOM 231 CG2 VAL A 18 4.633 -10.099 -5.057 1.00 0.00 C ATOM 0 H VAL A 18 1.956 -11.019 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 18 4.229 -9.177 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 18 4.192 -11.882 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.639 -11.689 -5.965 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.104 -11.818 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.594 -10.240 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.189 -10.617 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.085 -9.124 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.599 -9.966 -4.739 1.00 0.00 H new ATOM 241 N ASN A 19 4.690 -10.182 -9.745 1.00 0.00 N ATOM 242 CA ASN A 19 4.995 -10.742 -11.057 1.00 0.00 C ATOM 243 C ASN A 19 3.796 -11.503 -11.615 1.00 0.00 C ATOM 244 O ASN A 19 3.921 -12.649 -12.046 1.00 0.00 O ATOM 245 CB ASN A 19 6.207 -11.672 -10.968 1.00 0.00 C ATOM 246 CG ASN A 19 7.515 -10.940 -11.198 1.00 0.00 C ATOM 247 OD1 ASN A 19 7.813 -10.514 -12.314 1.00 0.00 O ATOM 248 ND2 ASN A 19 8.304 -10.792 -10.140 1.00 0.00 N ATOM 0 H ASN A 19 4.921 -9.193 -9.644 1.00 0.00 H new ATOM 0 HA ASN A 19 5.226 -9.918 -11.732 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.227 -12.146 -9.987 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.105 -12.469 -11.705 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.197 -10.309 -10.234 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.016 -11.161 -9.234 1.00 0.00 H new ATOM 255 N SER A 20 2.635 -10.856 -11.605 1.00 0.00 N ATOM 256 CA SER A 20 1.412 -11.471 -12.108 1.00 0.00 C ATOM 257 C SER A 20 1.087 -12.745 -11.333 1.00 0.00 C ATOM 258 O SER A 20 0.617 -13.728 -11.904 1.00 0.00 O ATOM 259 CB SER A 20 1.551 -11.789 -13.598 1.00 0.00 C ATOM 260 OG SER A 20 1.809 -10.615 -14.348 1.00 0.00 O ATOM 0 H SER A 20 2.515 -9.906 -11.254 1.00 0.00 H new ATOM 0 HA SER A 20 0.595 -10.763 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.360 -12.504 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.637 -12.262 -13.959 1.00 0.00 H new ATOM 0 HG SER A 20 1.895 -10.845 -15.297 1.00 0.00 H new ATOM 266 N GLN A 21 1.342 -12.718 -10.029 1.00 0.00 N ATOM 267 CA GLN A 21 1.077 -13.870 -9.175 1.00 0.00 C ATOM 268 C GLN A 21 0.697 -13.427 -7.766 1.00 0.00 C ATOM 269 O GLN A 21 1.425 -12.670 -7.125 1.00 0.00 O ATOM 270 CB GLN A 21 2.303 -14.784 -9.121 1.00 0.00 C ATOM 271 CG GLN A 21 2.315 -15.849 -10.205 1.00 0.00 C ATOM 272 CD GLN A 21 3.160 -17.052 -9.833 1.00 0.00 C ATOM 273 OE1 GLN A 21 2.714 -17.935 -9.099 1.00 0.00 O ATOM 274 NE2 GLN A 21 4.387 -17.092 -10.337 1.00 0.00 N ATOM 0 H GLN A 21 1.732 -11.912 -9.541 1.00 0.00 H new ATOM 0 HA GLN A 21 0.239 -14.422 -9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.203 -14.176 -9.210 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.342 -15.269 -8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.293 -16.174 -10.401 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.694 -15.416 -11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.715 -16.338 -10.941 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.002 -17.876 -10.121 1.00 0.00 H new ATOM 283 N TRP A 22 -0.448 -13.904 -7.291 1.00 0.00 N ATOM 284 CA TRP A 22 -0.925 -13.557 -5.957 1.00 0.00 C ATOM 285 C TRP A 22 -0.213 -14.383 -4.892 1.00 0.00 C ATOM 286 O TRP A 22 -0.531 -15.554 -4.684 1.00 0.00 O ATOM 287 CB TRP A 22 -2.437 -13.773 -5.862 1.00 0.00 C ATOM 288 CG TRP A 22 -3.225 -12.855 -6.746 1.00 0.00 C ATOM 289 CD1 TRP A 22 -3.800 -13.166 -7.945 1.00 0.00 C ATOM 290 CD2 TRP A 22 -3.523 -11.476 -6.502 1.00 0.00 C ATOM 291 NE1 TRP A 22 -4.437 -12.063 -8.461 1.00 0.00 N ATOM 292 CE2 TRP A 22 -4.283 -11.014 -7.594 1.00 0.00 C ATOM 293 CE3 TRP A 22 -3.224 -10.587 -5.466 1.00 0.00 C ATOM 294 CZ2 TRP A 22 -4.745 -9.703 -7.678 1.00 0.00 C ATOM 295 CZ3 TRP A 22 -3.683 -9.287 -5.551 1.00 0.00 C ATOM 296 CH2 TRP A 22 -4.437 -8.855 -6.650 1.00 0.00 C ATOM 0 H TRP A 22 -1.063 -14.532 -7.809 1.00 0.00 H new ATOM 0 HA TRP A 22 -0.703 -12.504 -5.781 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.667 -14.805 -6.126 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.753 -13.630 -4.829 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.760 -14.136 -8.418 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -4.943 -12.031 -9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.644 -10.911 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.326 -9.368 -8.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.457 -8.591 -4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.782 -7.832 -6.686 1.00 0.00 H new ATOM 307 N LYS A 23 0.752 -13.766 -4.218 1.00 0.00 N ATOM 308 CA LYS A 23 1.509 -14.443 -3.172 1.00 0.00 C ATOM 309 C LYS A 23 1.172 -13.871 -1.799 1.00 0.00 C ATOM 310 O LYS A 23 1.148 -12.655 -1.612 1.00 0.00 O ATOM 311 CB LYS A 23 3.011 -14.314 -3.436 1.00 0.00 C ATOM 312 CG LYS A 23 3.429 -14.789 -4.817 1.00 0.00 C ATOM 313 CD LYS A 23 4.911 -14.555 -5.062 1.00 0.00 C ATOM 314 CE LYS A 23 5.510 -15.645 -5.937 1.00 0.00 C ATOM 315 NZ LYS A 23 6.902 -15.319 -6.355 1.00 0.00 N ATOM 0 H LYS A 23 1.028 -12.797 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 23 1.234 -15.498 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.304 -13.271 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.554 -14.887 -2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.205 -15.851 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.847 -14.265 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.053 -13.585 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.438 -14.522 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.506 -16.590 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.888 -15.783 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.275 -16.086 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.903 -14.430 -6.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.502 -15.212 -5.512 1.00 0.00 H new ATOM 329 N SER A 24 0.915 -14.756 -0.841 1.00 0.00 N ATOM 330 CA SER A 24 0.577 -14.338 0.514 1.00 0.00 C ATOM 331 C SER A 24 1.671 -13.448 1.097 1.00 0.00 C ATOM 332 O SER A 24 2.845 -13.816 1.108 1.00 0.00 O ATOM 333 CB SER A 24 0.368 -15.561 1.410 1.00 0.00 C ATOM 334 OG SER A 24 1.573 -16.290 1.567 1.00 0.00 O ATOM 0 H SER A 24 0.934 -15.767 -0.978 1.00 0.00 H new ATOM 0 HA SER A 24 -0.349 -13.765 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.002 -15.242 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.397 -16.206 0.978 1.00 0.00 H new ATOM 0 HG SER A 24 2.336 -15.704 1.381 1.00 0.00 H new ATOM 340 N ARG A 25 1.275 -12.275 1.579 1.00 0.00 N ATOM 341 CA ARG A 25 2.221 -11.330 2.162 1.00 0.00 C ATOM 342 C ARG A 25 1.602 -10.609 3.356 1.00 0.00 C ATOM 343 O ARG A 25 0.388 -10.418 3.417 1.00 0.00 O ATOM 344 CB ARG A 25 2.669 -10.311 1.113 1.00 0.00 C ATOM 345 CG ARG A 25 3.680 -9.304 1.636 1.00 0.00 C ATOM 346 CD ARG A 25 5.089 -9.875 1.632 1.00 0.00 C ATOM 347 NE ARG A 25 5.670 -9.889 0.292 1.00 0.00 N ATOM 348 CZ ARG A 25 6.633 -10.725 -0.082 1.00 0.00 C ATOM 349 NH1 ARG A 25 7.120 -11.609 0.777 1.00 0.00 N ATOM 350 NH2 ARG A 25 7.111 -10.677 -1.319 1.00 0.00 N ATOM 0 H ARG A 25 0.306 -11.956 1.578 1.00 0.00 H new ATOM 0 HA ARG A 25 3.090 -11.890 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.102 -10.841 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.795 -9.776 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.649 -8.404 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.409 -9.008 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.721 -9.285 2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.070 -10.890 2.030 1.00 0.00 H new ATOM 0 HE ARG A 25 5.318 -9.221 -0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.756 -11.649 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.859 -12.249 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.739 -9.998 -1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.850 -11.319 -1.605 1.00 0.00 H new ATOM 364 N TRP A 26 2.446 -10.212 4.302 1.00 0.00 N ATOM 365 CA TRP A 26 1.982 -9.512 5.494 1.00 0.00 C ATOM 366 C TRP A 26 2.092 -8.001 5.317 1.00 0.00 C ATOM 367 O TRP A 26 3.182 -7.435 5.406 1.00 0.00 O ATOM 368 CB TRP A 26 2.788 -9.954 6.717 1.00 0.00 C ATOM 369 CG TRP A 26 2.271 -9.389 8.005 1.00 0.00 C ATOM 370 CD1 TRP A 26 1.984 -8.081 8.270 1.00 0.00 C ATOM 371 CD2 TRP A 26 1.982 -10.116 9.204 1.00 0.00 C ATOM 372 NE1 TRP A 26 1.534 -7.950 9.562 1.00 0.00 N ATOM 373 CE2 TRP A 26 1.523 -9.185 10.156 1.00 0.00 C ATOM 374 CE3 TRP A 26 2.065 -11.463 9.567 1.00 0.00 C ATOM 375 CZ2 TRP A 26 1.150 -9.559 11.444 1.00 0.00 C ATOM 376 CZ3 TRP A 26 1.695 -11.833 10.845 1.00 0.00 C ATOM 377 CH2 TRP A 26 1.241 -10.885 11.771 1.00 0.00 C ATOM 0 H TRP A 26 3.454 -10.363 4.267 1.00 0.00 H new ATOM 0 HA TRP A 26 0.933 -9.766 5.647 1.00 0.00 H new ATOM 0 HB2 TRP A 26 2.778 -11.042 6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.827 -9.652 6.587 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.094 -7.268 7.567 1.00 0.00 H new ATOM 0 HE1 TRP A 26 1.254 -7.076 10.006 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.413 -12.202 8.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.801 -8.829 12.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.757 -12.871 11.136 1.00 0.00 H new ATOM 0 HH2 TRP A 26 0.957 -11.207 12.762 1.00 0.00 H new ATOM 388 N CYS A 27 0.959 -7.355 5.065 1.00 0.00 N ATOM 389 CA CYS A 27 0.929 -5.910 4.874 1.00 0.00 C ATOM 390 C CYS A 27 0.646 -5.193 6.190 1.00 0.00 C ATOM 391 O CYS A 27 -0.187 -5.634 6.982 1.00 0.00 O ATOM 392 CB CYS A 27 -0.129 -5.533 3.836 1.00 0.00 C ATOM 393 SG CYS A 27 0.472 -5.545 2.131 1.00 0.00 S ATOM 0 H CYS A 27 0.049 -7.809 4.988 1.00 0.00 H new ATOM 0 HA CYS A 27 1.909 -5.596 4.514 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.967 -6.225 3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.512 -4.539 4.068 1.00 0.00 H new ATOM 0 HG CYS A 27 1.770 -5.472 2.128 1.00 0.00 H new ATOM 399 N SER A 28 1.347 -4.086 6.418 1.00 0.00 N ATOM 400 CA SER A 28 1.175 -3.311 7.641 1.00 0.00 C ATOM 401 C SER A 28 1.238 -1.815 7.350 1.00 0.00 C ATOM 402 O SER A 28 2.271 -1.296 6.927 1.00 0.00 O ATOM 403 CB SER A 28 2.248 -3.689 8.664 1.00 0.00 C ATOM 404 OG SER A 28 1.767 -3.536 9.988 1.00 0.00 O ATOM 0 H SER A 28 2.039 -3.706 5.772 1.00 0.00 H new ATOM 0 HA SER A 28 0.193 -3.542 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.560 -4.721 8.504 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.129 -3.064 8.519 1.00 0.00 H new ATOM 0 HG SER A 28 2.471 -3.785 10.623 1.00 0.00 H new ATOM 410 N VAL A 29 0.124 -1.127 7.578 1.00 0.00 N ATOM 411 CA VAL A 29 0.052 0.310 7.342 1.00 0.00 C ATOM 412 C VAL A 29 0.249 1.091 8.636 1.00 0.00 C ATOM 413 O VAL A 29 -0.335 0.759 9.668 1.00 0.00 O ATOM 414 CB VAL A 29 -1.298 0.709 6.716 1.00 0.00 C ATOM 415 CG1 VAL A 29 -1.406 2.221 6.596 1.00 0.00 C ATOM 416 CG2 VAL A 29 -1.471 0.045 5.358 1.00 0.00 C ATOM 0 H VAL A 29 -0.741 -1.541 7.926 1.00 0.00 H new ATOM 0 HA VAL A 29 0.854 0.556 6.647 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.098 0.363 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.366 2.483 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.329 2.671 7.586 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.600 2.594 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.430 0.337 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.666 0.359 4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.442 -1.038 5.476 1.00 0.00 H new ATOM 426 N ARG A 30 1.075 2.130 8.574 1.00 0.00 N ATOM 427 CA ARG A 30 1.350 2.958 9.742 1.00 0.00 C ATOM 428 C ARG A 30 2.223 4.153 9.368 1.00 0.00 C ATOM 429 O ARG A 30 3.127 4.038 8.540 1.00 0.00 O ATOM 430 CB ARG A 30 2.037 2.131 10.830 1.00 0.00 C ATOM 431 CG ARG A 30 1.846 2.689 12.231 1.00 0.00 C ATOM 432 CD ARG A 30 2.694 1.942 13.249 1.00 0.00 C ATOM 433 NE ARG A 30 2.910 2.725 14.462 1.00 0.00 N ATOM 434 CZ ARG A 30 3.225 2.189 15.636 1.00 0.00 C ATOM 435 NH1 ARG A 30 3.360 0.876 15.754 1.00 0.00 N ATOM 436 NH2 ARG A 30 3.405 2.968 16.695 1.00 0.00 N ATOM 0 H ARG A 30 1.565 2.418 7.727 1.00 0.00 H new ATOM 0 HA ARG A 30 0.399 3.330 10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.651 1.112 10.798 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.104 2.075 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.110 3.746 12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.795 2.620 12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.206 1.002 13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.657 1.690 12.804 1.00 0.00 H new ATOM 0 HE ARG A 30 2.814 3.739 14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.222 0.274 14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.602 0.467 16.657 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.301 3.979 16.608 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.647 2.556 17.596 1.00 0.00 H new ATOM 450 N ASP A 31 1.947 5.297 9.984 1.00 0.00 N ATOM 451 CA ASP A 31 2.707 6.512 9.717 1.00 0.00 C ATOM 452 C ASP A 31 2.531 6.955 8.267 1.00 0.00 C ATOM 453 O ASP A 31 3.457 7.484 7.653 1.00 0.00 O ATOM 454 CB ASP A 31 4.189 6.289 10.018 1.00 0.00 C ATOM 455 CG ASP A 31 4.541 6.604 11.459 1.00 0.00 C ATOM 456 OD1 ASP A 31 3.910 7.512 12.039 1.00 0.00 O ATOM 457 OD2 ASP A 31 5.446 5.941 12.007 1.00 0.00 O ATOM 0 H ASP A 31 1.202 5.408 10.672 1.00 0.00 H new ATOM 0 HA ASP A 31 2.327 7.299 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.449 5.253 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.789 6.913 9.356 1.00 0.00 H new ATOM 462 N ASN A 32 1.337 6.734 7.727 1.00 0.00 N ATOM 463 CA ASN A 32 1.041 7.109 6.349 1.00 0.00 C ATOM 464 C ASN A 32 1.971 6.390 5.377 1.00 0.00 C ATOM 465 O ASN A 32 2.461 6.983 4.415 1.00 0.00 O ATOM 466 CB ASN A 32 1.171 8.623 6.171 1.00 0.00 C ATOM 467 CG ASN A 32 0.076 9.386 6.892 1.00 0.00 C ATOM 468 OD1 ASN A 32 0.287 9.914 7.984 1.00 0.00 O ATOM 469 ND2 ASN A 32 -1.103 9.447 6.283 1.00 0.00 N ATOM 0 H ASN A 32 0.559 6.298 8.222 1.00 0.00 H new ATOM 0 HA ASN A 32 0.016 6.811 6.131 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.142 8.948 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.140 8.865 5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.878 9.946 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.234 8.995 5.378 1.00 0.00 H new ATOM 476 N HIS A 33 2.211 5.108 5.635 1.00 0.00 N ATOM 477 CA HIS A 33 3.082 4.307 4.782 1.00 0.00 C ATOM 478 C HIS A 33 2.717 2.828 4.869 1.00 0.00 C ATOM 479 O HIS A 33 2.488 2.297 5.956 1.00 0.00 O ATOM 480 CB HIS A 33 4.545 4.507 5.180 1.00 0.00 C ATOM 481 CG HIS A 33 5.127 5.798 4.693 1.00 0.00 C ATOM 482 ND1 HIS A 33 4.828 7.020 5.258 1.00 0.00 N ATOM 483 CD2 HIS A 33 5.997 6.053 3.687 1.00 0.00 C ATOM 484 CE1 HIS A 33 5.487 7.971 4.620 1.00 0.00 C ATOM 485 NE2 HIS A 33 6.204 7.411 3.663 1.00 0.00 N ATOM 0 H HIS A 33 1.815 4.602 6.427 1.00 0.00 H new ATOM 0 HA HIS A 33 2.945 4.637 3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.626 4.468 6.266 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.136 3.680 4.787 1.00 0.00 H new ATOM 0 HD1 HIS A 33 4.197 7.167 6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.445 5.325 3.027 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.446 9.027 4.843 1.00 0.00 H new ATOM 494 N LEU A 34 2.663 2.169 3.717 1.00 0.00 N ATOM 495 CA LEU A 34 2.324 0.751 3.662 1.00 0.00 C ATOM 496 C LEU A 34 3.584 -0.109 3.638 1.00 0.00 C ATOM 497 O LEU A 34 4.267 -0.200 2.617 1.00 0.00 O ATOM 498 CB LEU A 34 1.469 0.458 2.428 1.00 0.00 C ATOM 499 CG LEU A 34 1.367 -1.011 2.016 1.00 0.00 C ATOM 500 CD1 LEU A 34 0.944 -1.870 3.198 1.00 0.00 C ATOM 501 CD2 LEU A 34 0.391 -1.174 0.860 1.00 0.00 C ATOM 0 H LEU A 34 2.850 2.594 2.808 1.00 0.00 H new ATOM 0 HA LEU A 34 1.754 0.504 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.462 0.834 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.873 1.023 1.588 1.00 0.00 H new ATOM 0 HG LEU A 34 2.351 -1.344 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.877 -2.912 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.680 -1.778 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.028 -1.537 3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.331 -2.226 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.595 -0.823 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.737 -0.591 0.007 1.00 0.00 H new ATOM 513 N HIS A 35 3.885 -0.741 4.768 1.00 0.00 N ATOM 514 CA HIS A 35 5.061 -1.596 4.876 1.00 0.00 C ATOM 515 C HIS A 35 4.719 -3.038 4.511 1.00 0.00 C ATOM 516 O HIS A 35 3.551 -3.425 4.497 1.00 0.00 O ATOM 517 CB HIS A 35 5.632 -1.538 6.293 1.00 0.00 C ATOM 518 CG HIS A 35 6.107 -0.175 6.692 1.00 0.00 C ATOM 519 ND1 HIS A 35 7.437 0.129 6.892 1.00 0.00 N ATOM 520 CD2 HIS A 35 5.422 0.968 6.927 1.00 0.00 C ATOM 521 CE1 HIS A 35 7.549 1.400 7.234 1.00 0.00 C ATOM 522 NE2 HIS A 35 6.340 1.932 7.262 1.00 0.00 N ATOM 0 H HIS A 35 3.330 -0.677 5.622 1.00 0.00 H new ATOM 0 HA HIS A 35 5.811 -1.230 4.175 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.868 -1.868 6.997 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.462 -2.240 6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.352 1.098 6.863 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.472 1.916 7.453 1.00 0.00 H new ATOM 0 HE2 HIS A 35 6.124 2.901 7.495 1.00 0.00 H new ATOM 531 N PHE A 36 5.747 -3.828 4.215 1.00 0.00 N ATOM 532 CA PHE A 36 5.555 -5.226 3.848 1.00 0.00 C ATOM 533 C PHE A 36 6.445 -6.136 4.690 1.00 0.00 C ATOM 534 O PHE A 36 7.566 -5.771 5.044 1.00 0.00 O ATOM 535 CB PHE A 36 5.857 -5.431 2.363 1.00 0.00 C ATOM 536 CG PHE A 36 4.916 -4.695 1.452 1.00 0.00 C ATOM 537 CD1 PHE A 36 4.889 -3.310 1.435 1.00 0.00 C ATOM 538 CD2 PHE A 36 4.058 -5.388 0.614 1.00 0.00 C ATOM 539 CE1 PHE A 36 4.025 -2.629 0.599 1.00 0.00 C ATOM 540 CE2 PHE A 36 3.192 -4.713 -0.225 1.00 0.00 C ATOM 541 CZ PHE A 36 3.175 -3.332 -0.232 1.00 0.00 C ATOM 0 H PHE A 36 6.720 -3.524 4.222 1.00 0.00 H new ATOM 0 HA PHE A 36 4.514 -5.487 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.877 -5.104 2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.812 -6.496 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.552 -2.756 2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.066 -6.468 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.014 -1.549 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.529 -5.265 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.498 -2.803 -0.886 1.00 0.00 H new ATOM 551 N TYR A 37 5.936 -7.321 5.008 1.00 0.00 N ATOM 552 CA TYR A 37 6.682 -8.283 5.811 1.00 0.00 C ATOM 553 C TYR A 37 6.370 -9.712 5.378 1.00 0.00 C ATOM 554 O TYR A 37 5.450 -9.948 4.595 1.00 0.00 O ATOM 555 CB TYR A 37 6.354 -8.104 7.294 1.00 0.00 C ATOM 556 CG TYR A 37 6.541 -6.687 7.789 1.00 0.00 C ATOM 557 CD1 TYR A 37 5.535 -5.740 7.641 1.00 0.00 C ATOM 558 CD2 TYR A 37 7.723 -6.296 8.405 1.00 0.00 C ATOM 559 CE1 TYR A 37 5.702 -4.445 8.090 1.00 0.00 C ATOM 560 CE2 TYR A 37 7.898 -5.003 8.860 1.00 0.00 C ATOM 561 CZ TYR A 37 6.885 -4.081 8.699 1.00 0.00 C ATOM 562 OH TYR A 37 7.054 -2.792 9.150 1.00 0.00 O ATOM 0 H TYR A 37 5.010 -7.639 4.722 1.00 0.00 H new ATOM 0 HA TYR A 37 7.745 -8.100 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.322 -8.408 7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.986 -8.771 7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.607 -6.022 7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.519 -7.015 8.531 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.911 -3.721 7.965 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.823 -4.716 9.339 1.00 0.00 H new ATOM 0 HH TYR A 37 7.942 -2.701 9.555 1.00 0.00 H new ATOM 572 N GLN A 38 7.142 -10.662 5.896 1.00 0.00 N ATOM 573 CA GLN A 38 6.948 -12.069 5.563 1.00 0.00 C ATOM 574 C GLN A 38 6.541 -12.868 6.796 1.00 0.00 C ATOM 575 O GLN A 38 5.457 -13.450 6.841 1.00 0.00 O ATOM 576 CB GLN A 38 8.228 -12.653 4.962 1.00 0.00 C ATOM 577 CG GLN A 38 8.763 -11.858 3.782 1.00 0.00 C ATOM 578 CD GLN A 38 9.637 -10.695 4.210 1.00 0.00 C ATOM 579 OE1 GLN A 38 9.178 -9.777 4.890 1.00 0.00 O ATOM 580 NE2 GLN A 38 10.904 -10.729 3.814 1.00 0.00 N ATOM 0 H GLN A 38 7.907 -10.484 6.547 1.00 0.00 H new ATOM 0 HA GLN A 38 6.146 -12.136 4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.994 -12.700 5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.035 -13.677 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.337 -12.520 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.927 -11.482 3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.242 -11.510 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.540 -9.974 4.073 1.00 0.00 H new ATOM 712 N ALA A 46 10.031 -7.971 3.472 1.00 0.00 N ATOM 713 CA ALA A 46 9.973 -8.470 2.104 1.00 0.00 C ATOM 714 C ALA A 46 10.455 -7.414 1.114 1.00 0.00 C ATOM 715 O ALA A 46 11.281 -7.695 0.246 1.00 0.00 O ATOM 716 CB ALA A 46 8.558 -8.910 1.761 1.00 0.00 C ATOM 0 HA ALA A 46 10.637 -9.331 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.530 -9.280 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.248 -9.703 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.880 -8.062 1.859 1.00 0.00 H new ATOM 722 N GLN A 47 9.934 -6.199 1.252 1.00 0.00 N ATOM 723 CA GLN A 47 10.311 -5.102 0.368 1.00 0.00 C ATOM 724 C GLN A 47 10.158 -3.758 1.073 1.00 0.00 C ATOM 725 O GLN A 47 9.401 -3.635 2.035 1.00 0.00 O ATOM 726 CB GLN A 47 9.458 -5.125 -0.901 1.00 0.00 C ATOM 727 CG GLN A 47 8.000 -4.768 -0.661 1.00 0.00 C ATOM 728 CD GLN A 47 7.304 -4.281 -1.917 1.00 0.00 C ATOM 729 OE1 GLN A 47 7.508 -3.149 -2.354 1.00 0.00 O ATOM 730 NE2 GLN A 47 6.476 -5.137 -2.505 1.00 0.00 N ATOM 0 H GLN A 47 9.250 -5.949 1.967 1.00 0.00 H new ATOM 0 HA GLN A 47 11.358 -5.232 0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 47 9.880 -4.428 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 47 9.512 -6.118 -1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.475 -5.642 -0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.940 -3.995 0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.337 -6.066 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.980 -4.865 -3.354 1.00 0.00 H new ATOM 739 N GLN A 48 10.883 -2.755 0.588 1.00 0.00 N ATOM 740 CA GLN A 48 10.828 -1.421 1.173 1.00 0.00 C ATOM 741 C GLN A 48 9.384 -0.991 1.413 1.00 0.00 C ATOM 742 O GLN A 48 8.447 -1.515 0.812 1.00 0.00 O ATOM 743 CB GLN A 48 11.528 -0.412 0.261 1.00 0.00 C ATOM 744 CG GLN A 48 13.011 -0.254 0.554 1.00 0.00 C ATOM 745 CD GLN A 48 13.866 -1.249 -0.207 1.00 0.00 C ATOM 746 OE1 GLN A 48 13.791 -1.339 -1.432 1.00 0.00 O ATOM 747 NE2 GLN A 48 14.684 -2.003 0.518 1.00 0.00 N ATOM 0 H GLN A 48 11.515 -2.841 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 48 11.343 -1.451 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.402 -0.724 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.040 0.557 0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.322 0.758 0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.181 -0.378 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.713 -1.894 1.532 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.283 -2.691 0.061 1.00 0.00 H new ATOM 756 N PRO A 49 9.200 -0.013 2.313 1.00 0.00 N ATOM 757 CA PRO A 49 7.873 0.509 2.653 1.00 0.00 C ATOM 758 C PRO A 49 7.255 1.309 1.511 1.00 0.00 C ATOM 759 O PRO A 49 7.947 1.712 0.576 1.00 0.00 O ATOM 760 CB PRO A 49 8.146 1.416 3.855 1.00 0.00 C ATOM 761 CG PRO A 49 9.571 1.825 3.705 1.00 0.00 C ATOM 762 CD PRO A 49 10.272 0.657 3.067 1.00 0.00 C ATOM 0 HA PRO A 49 7.161 -0.290 2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.484 2.282 3.856 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.982 0.888 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.658 2.718 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.012 2.064 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.081 0.982 2.413 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.712 -0.004 3.813 1.00 0.00 H new ATOM 770 N LEU A 50 5.949 1.537 1.595 1.00 0.00 N ATOM 771 CA LEU A 50 5.237 2.291 0.568 1.00 0.00 C ATOM 772 C LEU A 50 4.648 3.574 1.145 1.00 0.00 C ATOM 773 O LEU A 50 4.262 3.622 2.313 1.00 0.00 O ATOM 774 CB LEU A 50 4.126 1.435 -0.042 1.00 0.00 C ATOM 775 CG LEU A 50 4.538 0.528 -1.202 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.355 -0.304 -1.675 1.00 0.00 C ATOM 777 CD2 LEU A 50 5.105 1.352 -2.349 1.00 0.00 C ATOM 0 H LEU A 50 5.362 1.211 2.363 1.00 0.00 H new ATOM 0 HA LEU A 50 5.950 2.559 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.700 0.813 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.333 2.098 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 50 5.315 -0.150 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.667 -0.943 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.994 -0.923 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.556 0.357 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.393 0.690 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.349 2.054 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.980 1.903 -2.003 1.00 0.00 H new ATOM 789 N SER A 51 4.579 4.612 0.317 1.00 0.00 N ATOM 790 CA SER A 51 4.038 5.897 0.746 1.00 0.00 C ATOM 791 C SER A 51 2.664 6.141 0.128 1.00 0.00 C ATOM 792 O SER A 51 2.554 6.533 -1.034 1.00 0.00 O ATOM 793 CB SER A 51 4.991 7.030 0.361 1.00 0.00 C ATOM 794 OG SER A 51 6.343 6.636 0.524 1.00 0.00 O ATOM 0 H SER A 51 4.891 4.588 -0.654 1.00 0.00 H new ATOM 0 HA SER A 51 3.931 5.875 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.816 7.321 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.787 7.906 0.977 1.00 0.00 H new ATOM 0 HG SER A 51 6.932 7.377 0.270 1.00 0.00 H new ATOM 800 N LEU A 52 1.619 5.906 0.914 1.00 0.00 N ATOM 801 CA LEU A 52 0.251 6.099 0.446 1.00 0.00 C ATOM 802 C LEU A 52 -0.020 7.571 0.150 1.00 0.00 C ATOM 803 O LEU A 52 -0.734 7.903 -0.797 1.00 0.00 O ATOM 804 CB LEU A 52 -0.743 5.586 1.489 1.00 0.00 C ATOM 805 CG LEU A 52 -0.482 4.179 2.029 1.00 0.00 C ATOM 806 CD1 LEU A 52 -1.312 3.925 3.278 1.00 0.00 C ATOM 807 CD2 LEU A 52 -0.783 3.134 0.965 1.00 0.00 C ATOM 0 H LEU A 52 1.693 5.582 1.878 1.00 0.00 H new ATOM 0 HA LEU A 52 0.125 5.532 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.749 6.281 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.741 5.606 1.052 1.00 0.00 H new ATOM 0 HG LEU A 52 0.572 4.103 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.114 2.919 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.047 4.653 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.371 4.021 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.591 2.139 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.829 3.209 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.145 3.304 0.098 1.00 0.00 H new ATOM 819 N VAL A 53 0.557 8.449 0.964 1.00 0.00 N ATOM 820 CA VAL A 53 0.380 9.886 0.788 1.00 0.00 C ATOM 821 C VAL A 53 0.466 10.273 -0.684 1.00 0.00 C ATOM 822 O VAL A 53 1.554 10.360 -1.252 1.00 0.00 O ATOM 823 CB VAL A 53 1.435 10.682 1.579 1.00 0.00 C ATOM 824 CG1 VAL A 53 1.242 12.176 1.372 1.00 0.00 C ATOM 825 CG2 VAL A 53 1.372 10.327 3.057 1.00 0.00 C ATOM 0 H VAL A 53 1.151 8.191 1.752 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.611 10.133 1.169 1.00 0.00 H new ATOM 0 HB VAL A 53 2.423 10.413 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.996 12.722 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.342 12.412 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.249 12.466 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.124 10.899 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.383 10.566 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.564 9.262 3.184 1.00 0.00 H new ATOM 835 N GLY A 54 -0.691 10.506 -1.298 1.00 0.00 N ATOM 836 CA GLY A 54 -0.725 10.882 -2.699 1.00 0.00 C ATOM 837 C GLY A 54 -1.382 9.827 -3.567 1.00 0.00 C ATOM 838 O GLY A 54 -2.183 10.147 -4.446 1.00 0.00 O ATOM 0 H GLY A 54 -1.605 10.441 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.264 11.823 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.292 11.055 -3.050 1.00 0.00 H new ATOM 842 N CYS A 55 -1.043 8.566 -3.321 1.00 0.00 N ATOM 843 CA CYS A 55 -1.604 7.460 -4.089 1.00 0.00 C ATOM 844 C CYS A 55 -3.124 7.428 -3.966 1.00 0.00 C ATOM 845 O CYS A 55 -3.712 8.211 -3.221 1.00 0.00 O ATOM 846 CB CYS A 55 -1.014 6.131 -3.614 1.00 0.00 C ATOM 847 SG CYS A 55 0.745 6.210 -3.201 1.00 0.00 S ATOM 0 H CYS A 55 -0.383 8.284 -2.596 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.346 7.610 -5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.567 5.793 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.160 5.382 -4.392 1.00 0.00 H new ATOM 0 HG CYS A 55 0.893 6.778 -2.041 1.00 0.00 H new ATOM 853 N GLU A 56 -3.753 6.519 -4.704 1.00 0.00 N ATOM 854 CA GLU A 56 -5.205 6.388 -4.678 1.00 0.00 C ATOM 855 C GLU A 56 -5.621 4.922 -4.763 1.00 0.00 C ATOM 856 O GLU A 56 -5.268 4.219 -5.710 1.00 0.00 O ATOM 857 CB GLU A 56 -5.831 7.175 -5.832 1.00 0.00 C ATOM 858 CG GLU A 56 -7.318 6.918 -6.008 1.00 0.00 C ATOM 859 CD GLU A 56 -7.960 7.867 -7.002 1.00 0.00 C ATOM 860 OE1 GLU A 56 -7.793 7.653 -8.220 1.00 0.00 O ATOM 861 OE2 GLU A 56 -8.631 8.823 -6.560 1.00 0.00 O ATOM 0 H GLU A 56 -3.281 5.863 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.564 6.795 -3.733 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.673 8.240 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.315 6.919 -6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.469 5.891 -6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.817 7.016 -5.044 1.00 0.00 H new ATOM 868 N VAL A 57 -6.374 4.468 -3.766 1.00 0.00 N ATOM 869 CA VAL A 57 -6.838 3.087 -3.727 1.00 0.00 C ATOM 870 C VAL A 57 -8.164 2.932 -4.464 1.00 0.00 C ATOM 871 O VAL A 57 -9.173 3.522 -4.080 1.00 0.00 O ATOM 872 CB VAL A 57 -7.009 2.593 -2.278 1.00 0.00 C ATOM 873 CG1 VAL A 57 -7.484 1.148 -2.259 1.00 0.00 C ATOM 874 CG2 VAL A 57 -5.706 2.744 -1.507 1.00 0.00 C ATOM 0 H VAL A 57 -6.675 5.037 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.077 2.483 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.767 3.206 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.599 0.816 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.442 1.073 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.752 0.518 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.845 2.390 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.926 2.156 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.412 3.794 -1.491 1.00 0.00 H new ATOM 884 N VAL A 58 -8.153 2.133 -5.527 1.00 0.00 N ATOM 885 CA VAL A 58 -9.355 1.899 -6.319 1.00 0.00 C ATOM 886 C VAL A 58 -9.712 0.417 -6.350 1.00 0.00 C ATOM 887 O VAL A 58 -8.854 -0.450 -6.520 1.00 0.00 O ATOM 888 CB VAL A 58 -9.183 2.405 -7.763 1.00 0.00 C ATOM 889 CG1 VAL A 58 -9.471 3.896 -7.844 1.00 0.00 C ATOM 890 CG2 VAL A 58 -7.784 2.095 -8.273 1.00 0.00 C ATOM 0 H VAL A 58 -7.326 1.637 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.162 2.454 -5.842 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.900 1.886 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.344 4.236 -8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.495 4.087 -7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.781 4.436 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.680 2.460 -9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.048 2.585 -7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.620 1.018 -8.254 1.00 0.00 H new ATOM 900 N PRO A 59 -11.008 0.117 -6.184 1.00 0.00 N ATOM 901 CA PRO A 59 -11.509 -1.261 -6.191 1.00 0.00 C ATOM 902 C PRO A 59 -11.438 -1.897 -7.575 1.00 0.00 C ATOM 903 O PRO A 59 -12.377 -1.794 -8.364 1.00 0.00 O ATOM 904 CB PRO A 59 -12.966 -1.111 -5.745 1.00 0.00 C ATOM 905 CG PRO A 59 -13.337 0.280 -6.127 1.00 0.00 C ATOM 906 CD PRO A 59 -12.085 1.099 -5.977 1.00 0.00 C ATOM 0 HA PRO A 59 -10.917 -1.913 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.608 -1.841 -6.237 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.070 -1.268 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.707 0.318 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -14.132 0.662 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.041 1.904 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.023 1.562 -4.992 1.00 0.00 H new ATOM 914 N ASP A 60 -10.321 -2.554 -7.862 1.00 0.00 N ATOM 915 CA ASP A 60 -10.128 -3.209 -9.151 1.00 0.00 C ATOM 916 C ASP A 60 -10.225 -4.725 -9.011 1.00 0.00 C ATOM 917 O ASP A 60 -9.222 -5.439 -9.028 1.00 0.00 O ATOM 918 CB ASP A 60 -8.772 -2.824 -9.745 1.00 0.00 C ATOM 919 CG ASP A 60 -8.700 -3.080 -11.238 1.00 0.00 C ATOM 920 OD1 ASP A 60 -8.598 -4.261 -11.632 1.00 0.00 O ATOM 921 OD2 ASP A 60 -8.745 -2.101 -12.011 1.00 0.00 O ATOM 0 H ASP A 60 -9.534 -2.648 -7.220 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.918 -2.874 -9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.580 -1.769 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.986 -3.389 -9.244 1.00 0.00 H new ATOM 926 N PRO A 61 -11.460 -5.229 -8.868 1.00 0.00 N ATOM 927 CA PRO A 61 -11.717 -6.664 -8.721 1.00 0.00 C ATOM 928 C PRO A 61 -11.445 -7.436 -10.007 1.00 0.00 C ATOM 929 O PRO A 61 -11.409 -6.859 -11.094 1.00 0.00 O ATOM 930 CB PRO A 61 -13.204 -6.724 -8.366 1.00 0.00 C ATOM 931 CG PRO A 61 -13.781 -5.476 -8.940 1.00 0.00 C ATOM 932 CD PRO A 61 -12.700 -4.436 -8.839 1.00 0.00 C ATOM 0 HA PRO A 61 -11.068 -7.120 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.677 -7.610 -8.790 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -13.352 -6.769 -7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.082 -5.626 -9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.671 -5.169 -8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.744 -3.729 -9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.785 -3.856 -7.920 1.00 0.00 H new ATOM 940 N SER A 62 -11.253 -8.745 -9.877 1.00 0.00 N ATOM 941 CA SER A 62 -10.981 -9.596 -11.030 1.00 0.00 C ATOM 942 C SER A 62 -12.140 -10.557 -11.282 1.00 0.00 C ATOM 943 O SER A 62 -13.032 -10.725 -10.450 1.00 0.00 O ATOM 944 CB SER A 62 -9.688 -10.384 -10.814 1.00 0.00 C ATOM 945 OG SER A 62 -8.602 -9.779 -11.494 1.00 0.00 O ATOM 0 H SER A 62 -11.281 -9.239 -8.985 1.00 0.00 H new ATOM 0 HA SER A 62 -10.867 -8.956 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.467 -10.441 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.818 -11.407 -11.168 1.00 0.00 H new ATOM 0 HG SER A 62 -7.787 -10.301 -11.339 1.00 0.00 H new ATOM 951 N PRO A 63 -12.127 -11.203 -12.457 1.00 0.00 N ATOM 952 CA PRO A 63 -13.168 -12.158 -12.847 1.00 0.00 C ATOM 953 C PRO A 63 -13.111 -13.443 -12.029 1.00 0.00 C ATOM 954 O PRO A 63 -13.904 -14.361 -12.241 1.00 0.00 O ATOM 955 CB PRO A 63 -12.854 -12.445 -14.317 1.00 0.00 C ATOM 956 CG PRO A 63 -11.396 -12.170 -14.453 1.00 0.00 C ATOM 957 CD PRO A 63 -11.094 -11.050 -13.496 1.00 0.00 C ATOM 0 HA PRO A 63 -14.169 -11.760 -12.681 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -13.088 -13.477 -14.578 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.441 -11.808 -14.979 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.808 -13.056 -14.214 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.146 -11.887 -15.476 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.090 -11.136 -13.080 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.155 -10.077 -13.984 1.00 0.00 H new ATOM 965 N ASP A 64 -12.170 -13.502 -11.093 1.00 0.00 N ATOM 966 CA ASP A 64 -12.011 -14.675 -10.241 1.00 0.00 C ATOM 967 C ASP A 64 -12.062 -14.287 -8.767 1.00 0.00 C ATOM 968 O ASP A 64 -12.390 -15.108 -7.909 1.00 0.00 O ATOM 969 CB ASP A 64 -10.689 -15.381 -10.550 1.00 0.00 C ATOM 970 CG ASP A 64 -10.475 -15.583 -12.037 1.00 0.00 C ATOM 971 OD1 ASP A 64 -11.440 -15.968 -12.729 1.00 0.00 O ATOM 972 OD2 ASP A 64 -9.341 -15.357 -12.510 1.00 0.00 O ATOM 0 H ASP A 64 -11.506 -12.751 -10.905 1.00 0.00 H new ATOM 0 HA ASP A 64 -12.835 -15.358 -10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.864 -14.796 -10.143 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.671 -16.349 -10.048 1.00 0.00 H new ATOM 977 N HIS A 65 -11.735 -13.032 -8.479 1.00 0.00 N ATOM 978 CA HIS A 65 -11.744 -12.535 -7.107 1.00 0.00 C ATOM 979 C HIS A 65 -12.241 -11.093 -7.055 1.00 0.00 C ATOM 980 O HIS A 65 -11.507 -10.160 -7.384 1.00 0.00 O ATOM 981 CB HIS A 65 -10.343 -12.626 -6.501 1.00 0.00 C ATOM 982 CG HIS A 65 -10.043 -13.958 -5.885 1.00 0.00 C ATOM 983 ND1 HIS A 65 -10.190 -14.214 -4.538 1.00 0.00 N ATOM 984 CD2 HIS A 65 -9.602 -15.111 -6.440 1.00 0.00 C ATOM 985 CE1 HIS A 65 -9.852 -15.467 -4.291 1.00 0.00 C ATOM 986 NE2 HIS A 65 -9.491 -16.033 -5.429 1.00 0.00 N ATOM 0 H HIS A 65 -11.460 -12.340 -9.176 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.425 -13.157 -6.525 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.606 -12.419 -7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.233 -11.851 -5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -9.379 -15.275 -7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.868 -15.947 -3.324 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.180 -16.998 -5.539 1.00 0.00 H new ATOM 995 N LEU A 66 -13.491 -10.919 -6.640 1.00 0.00 N ATOM 996 CA LEU A 66 -14.087 -9.591 -6.545 1.00 0.00 C ATOM 997 C LEU A 66 -13.681 -8.903 -5.245 1.00 0.00 C ATOM 998 O LEU A 66 -14.359 -7.988 -4.777 1.00 0.00 O ATOM 999 CB LEU A 66 -15.611 -9.687 -6.630 1.00 0.00 C ATOM 1000 CG LEU A 66 -16.166 -10.601 -7.723 1.00 0.00 C ATOM 1001 CD1 LEU A 66 -17.572 -11.062 -7.370 1.00 0.00 C ATOM 1002 CD2 LEU A 66 -16.157 -9.891 -9.068 1.00 0.00 C ATOM 0 H LEU A 66 -14.111 -11.680 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.720 -8.995 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.987 -10.035 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -16.010 -8.685 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 66 -15.525 -11.480 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -17.951 -11.711 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -17.549 -11.610 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -18.225 -10.195 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -16.555 -10.557 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.774 -8.994 -9.010 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.135 -9.612 -9.326 1.00 0.00 H new ATOM 1014 N TYR A 67 -12.570 -9.349 -4.669 1.00 0.00 N ATOM 1015 CA TYR A 67 -12.074 -8.777 -3.423 1.00 0.00 C ATOM 1016 C TYR A 67 -10.623 -8.330 -3.569 1.00 0.00 C ATOM 1017 O TYR A 67 -9.812 -8.508 -2.660 1.00 0.00 O ATOM 1018 CB TYR A 67 -12.194 -9.794 -2.287 1.00 0.00 C ATOM 1019 CG TYR A 67 -13.442 -10.644 -2.364 1.00 0.00 C ATOM 1020 CD1 TYR A 67 -14.683 -10.071 -2.615 1.00 0.00 C ATOM 1021 CD2 TYR A 67 -13.380 -12.021 -2.188 1.00 0.00 C ATOM 1022 CE1 TYR A 67 -15.825 -10.844 -2.685 1.00 0.00 C ATOM 1023 CE2 TYR A 67 -14.518 -12.802 -2.259 1.00 0.00 C ATOM 1024 CZ TYR A 67 -15.738 -12.208 -2.507 1.00 0.00 C ATOM 1025 OH TYR A 67 -16.874 -12.982 -2.578 1.00 0.00 O ATOM 0 H TYR A 67 -11.996 -10.104 -5.045 1.00 0.00 H new ATOM 0 HA TYR A 67 -12.682 -7.904 -3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.320 -10.445 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.183 -9.265 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.755 -9.003 -2.758 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.426 -12.489 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -16.782 -10.382 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.452 -13.871 -2.121 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.639 -13.922 -2.431 1.00 0.00 H new ATOM 1035 N SER A 68 -10.303 -7.746 -4.719 1.00 0.00 N ATOM 1036 CA SER A 68 -8.949 -7.275 -4.988 1.00 0.00 C ATOM 1037 C SER A 68 -8.951 -5.791 -5.339 1.00 0.00 C ATOM 1038 O SER A 68 -9.763 -5.332 -6.143 1.00 0.00 O ATOM 1039 CB SER A 68 -8.323 -8.080 -6.128 1.00 0.00 C ATOM 1040 OG SER A 68 -9.238 -8.247 -7.197 1.00 0.00 O ATOM 0 H SER A 68 -10.963 -7.587 -5.480 1.00 0.00 H new ATOM 0 HA SER A 68 -8.355 -7.416 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.428 -7.572 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.009 -9.056 -5.758 1.00 0.00 H new ATOM 0 HG SER A 68 -9.867 -8.967 -6.980 1.00 0.00 H new ATOM 1046 N PHE A 69 -8.034 -5.044 -4.731 1.00 0.00 N ATOM 1047 CA PHE A 69 -7.929 -3.611 -4.978 1.00 0.00 C ATOM 1048 C PHE A 69 -6.497 -3.225 -5.336 1.00 0.00 C ATOM 1049 O PHE A 69 -5.550 -3.944 -5.016 1.00 0.00 O ATOM 1050 CB PHE A 69 -8.389 -2.825 -3.749 1.00 0.00 C ATOM 1051 CG PHE A 69 -7.850 -3.366 -2.455 1.00 0.00 C ATOM 1052 CD1 PHE A 69 -8.510 -4.385 -1.787 1.00 0.00 C ATOM 1053 CD2 PHE A 69 -6.684 -2.856 -1.908 1.00 0.00 C ATOM 1054 CE1 PHE A 69 -8.016 -4.884 -0.596 1.00 0.00 C ATOM 1055 CE2 PHE A 69 -6.186 -3.351 -0.717 1.00 0.00 C ATOM 1056 CZ PHE A 69 -6.852 -4.367 -0.061 1.00 0.00 C ATOM 0 H PHE A 69 -7.353 -5.408 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.575 -3.364 -5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.080 -1.785 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.478 -2.831 -3.710 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.420 -4.794 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.158 -2.062 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.540 -5.678 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.277 -2.943 -0.300 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.464 -4.757 0.868 1.00 0.00 H new ATOM 1066 N ARG A 70 -6.347 -2.084 -6.002 1.00 0.00 N ATOM 1067 CA ARG A 70 -5.031 -1.603 -6.405 1.00 0.00 C ATOM 1068 C ARG A 70 -4.887 -0.111 -6.119 1.00 0.00 C ATOM 1069 O ARG A 70 -5.881 0.602 -5.975 1.00 0.00 O ATOM 1070 CB ARG A 70 -4.801 -1.871 -7.894 1.00 0.00 C ATOM 1071 CG ARG A 70 -5.795 -1.165 -8.801 1.00 0.00 C ATOM 1072 CD ARG A 70 -5.654 -1.623 -10.244 1.00 0.00 C ATOM 1073 NE ARG A 70 -4.674 -0.828 -10.978 1.00 0.00 N ATOM 1074 CZ ARG A 70 -4.503 -0.902 -12.293 1.00 0.00 C ATOM 1075 NH1 ARG A 70 -5.245 -1.730 -13.016 1.00 0.00 N ATOM 1076 NH2 ARG A 70 -3.590 -0.145 -12.889 1.00 0.00 N ATOM 0 H ARG A 70 -7.120 -1.476 -6.273 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.281 -2.141 -5.825 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.792 -1.555 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.857 -2.945 -8.074 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.809 -1.361 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.641 -0.088 -8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.358 -2.672 -10.264 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.621 -1.555 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.088 -0.180 -10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.949 -2.312 -12.562 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.112 -1.785 -14.026 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.019 0.495 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.460 -0.203 -13.899 1.00 0.00 H new ATOM 1090 N ILE A 71 -3.645 0.353 -6.037 1.00 0.00 N ATOM 1091 CA ILE A 71 -3.372 1.760 -5.768 1.00 0.00 C ATOM 1092 C ILE A 71 -2.773 2.447 -6.991 1.00 0.00 C ATOM 1093 O ILE A 71 -2.046 1.829 -7.770 1.00 0.00 O ATOM 1094 CB ILE A 71 -2.411 1.928 -4.576 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -2.697 0.871 -3.508 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -2.533 3.327 -3.991 1.00 0.00 C ATOM 1097 CD1 ILE A 71 -1.676 0.847 -2.393 1.00 0.00 C ATOM 0 H ILE A 71 -2.812 -0.224 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.326 2.226 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.389 1.791 -4.930 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.684 1.054 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.731 -0.111 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.848 3.431 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.284 4.064 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.555 3.491 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.942 0.074 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.690 0.633 -2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.658 1.816 -1.895 1.00 0.00 H new ATOM 1109 N LEU A 72 -3.082 3.729 -7.152 1.00 0.00 N ATOM 1110 CA LEU A 72 -2.574 4.502 -8.280 1.00 0.00 C ATOM 1111 C LEU A 72 -2.281 5.940 -7.865 1.00 0.00 C ATOM 1112 O LEU A 72 -3.058 6.558 -7.137 1.00 0.00 O ATOM 1113 CB LEU A 72 -3.581 4.486 -9.431 1.00 0.00 C ATOM 1114 CG LEU A 72 -4.259 3.144 -9.710 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.679 3.358 -10.211 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -3.452 2.338 -10.717 1.00 0.00 C ATOM 0 H LEU A 72 -3.682 4.255 -6.516 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.644 4.042 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.355 5.225 -9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.071 4.808 -10.339 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.305 2.581 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.146 2.392 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.254 3.895 -9.456 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.656 3.941 -11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.949 1.386 -10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.374 2.896 -11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.454 2.154 -10.320 1.00 0.00 H new ATOM 1128 N HIS A 73 -1.156 6.469 -8.336 1.00 0.00 N ATOM 1129 CA HIS A 73 -0.762 7.837 -8.017 1.00 0.00 C ATOM 1130 C HIS A 73 -1.148 8.791 -9.143 1.00 0.00 C ATOM 1131 O HIS A 73 -2.050 9.615 -8.991 1.00 0.00 O ATOM 1132 CB HIS A 73 0.745 7.910 -7.765 1.00 0.00 C ATOM 1133 CG HIS A 73 1.195 9.225 -7.206 1.00 0.00 C ATOM 1134 ND1 HIS A 73 0.552 10.415 -7.471 1.00 0.00 N ATOM 1135 CD2 HIS A 73 2.231 9.531 -6.391 1.00 0.00 C ATOM 1136 CE1 HIS A 73 1.174 11.398 -6.844 1.00 0.00 C ATOM 1137 NE2 HIS A 73 2.196 10.888 -6.181 1.00 0.00 N ATOM 0 H HIS A 73 -0.501 5.971 -8.940 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.290 8.139 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.029 7.115 -7.075 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.271 7.723 -8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.951 8.838 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.894 12.441 -6.869 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.853 11.416 -5.606 1.00 0.00 H new ATOM 1146 N LYS A 74 -0.460 8.674 -10.273 1.00 0.00 N ATOM 1147 CA LYS A 74 -0.731 9.525 -11.426 1.00 0.00 C ATOM 1148 C LYS A 74 -1.124 8.688 -12.640 1.00 0.00 C ATOM 1149 O LYS A 74 -0.627 8.907 -13.744 1.00 0.00 O ATOM 1150 CB LYS A 74 0.497 10.377 -11.757 1.00 0.00 C ATOM 1151 CG LYS A 74 1.177 10.964 -10.532 1.00 0.00 C ATOM 1152 CD LYS A 74 1.702 12.364 -10.804 1.00 0.00 C ATOM 1153 CE LYS A 74 0.569 13.371 -10.922 1.00 0.00 C ATOM 1154 NZ LYS A 74 -0.143 13.560 -9.627 1.00 0.00 N ATOM 0 H LYS A 74 0.290 7.998 -10.416 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.564 10.181 -11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.216 9.767 -12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.198 11.189 -12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.471 10.994 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.001 10.318 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.375 12.664 -10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.286 12.362 -11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.967 14.328 -11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.139 13.034 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.701 14.437 -9.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.777 12.753 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.551 13.622 -8.855 1.00 0.00 H new ATOM 1168 N GLY A 75 -2.019 7.729 -12.427 1.00 0.00 N ATOM 1169 CA GLY A 75 -2.464 6.875 -13.512 1.00 0.00 C ATOM 1170 C GLY A 75 -1.644 5.606 -13.626 1.00 0.00 C ATOM 1171 O GLY A 75 -1.828 4.821 -14.556 1.00 0.00 O ATOM 0 H GLY A 75 -2.444 7.528 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.511 6.614 -13.359 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.407 7.426 -14.451 1.00 0.00 H new ATOM 1175 N GLU A 76 -0.734 5.405 -12.678 1.00 0.00 N ATOM 1176 CA GLU A 76 0.120 4.222 -12.678 1.00 0.00 C ATOM 1177 C GLU A 76 -0.249 3.285 -11.532 1.00 0.00 C ATOM 1178 O GLU A 76 -1.092 3.611 -10.697 1.00 0.00 O ATOM 1179 CB GLU A 76 1.591 4.628 -12.566 1.00 0.00 C ATOM 1180 CG GLU A 76 2.296 4.736 -13.907 1.00 0.00 C ATOM 1181 CD GLU A 76 3.807 4.732 -13.774 1.00 0.00 C ATOM 1182 OE1 GLU A 76 4.377 3.648 -13.530 1.00 0.00 O ATOM 1183 OE2 GLU A 76 4.419 5.811 -13.914 1.00 0.00 O ATOM 0 H GLU A 76 -0.569 6.045 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.033 3.694 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.656 5.587 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.114 3.899 -11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.989 3.906 -14.543 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.981 5.653 -14.406 1.00 0.00 H new ATOM 1190 N GLU A 77 0.389 2.119 -11.500 1.00 0.00 N ATOM 1191 CA GLU A 77 0.126 1.133 -10.458 1.00 0.00 C ATOM 1192 C GLU A 77 1.330 0.987 -9.532 1.00 0.00 C ATOM 1193 O GLU A 77 2.406 0.562 -9.955 1.00 0.00 O ATOM 1194 CB GLU A 77 -0.219 -0.221 -11.081 1.00 0.00 C ATOM 1195 CG GLU A 77 -0.594 -1.283 -10.060 1.00 0.00 C ATOM 1196 CD GLU A 77 -0.748 -2.658 -10.679 1.00 0.00 C ATOM 1197 OE1 GLU A 77 -0.227 -2.870 -11.794 1.00 0.00 O ATOM 1198 OE2 GLU A 77 -1.391 -3.523 -10.048 1.00 0.00 O ATOM 0 H GLU A 77 1.091 1.834 -12.183 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.723 1.481 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.047 -0.090 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.634 -0.572 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.170 -1.322 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.528 -1.001 -9.574 1.00 0.00 H new ATOM 1205 N LEU A 78 1.142 1.344 -8.266 1.00 0.00 N ATOM 1206 CA LEU A 78 2.212 1.254 -7.278 1.00 0.00 C ATOM 1207 C LEU A 78 2.178 -0.092 -6.561 1.00 0.00 C ATOM 1208 O LEU A 78 3.197 -0.773 -6.451 1.00 0.00 O ATOM 1209 CB LEU A 78 2.090 2.390 -6.261 1.00 0.00 C ATOM 1210 CG LEU A 78 2.129 3.808 -6.832 1.00 0.00 C ATOM 1211 CD1 LEU A 78 1.949 4.834 -5.724 1.00 0.00 C ATOM 1212 CD2 LEU A 78 3.434 4.048 -7.577 1.00 0.00 C ATOM 0 H LEU A 78 0.259 1.699 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 78 3.165 1.343 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.154 2.265 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.897 2.290 -5.535 1.00 0.00 H new ATOM 0 HG LEU A 78 1.306 3.917 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.979 5.837 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.988 4.676 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.750 4.725 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.444 5.062 -7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.273 3.919 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.522 3.335 -8.396 1.00 0.00 H new ATOM 1224 N ALA A 79 1.000 -0.469 -6.076 1.00 0.00 N ATOM 1225 CA ALA A 79 0.833 -1.735 -5.373 1.00 0.00 C ATOM 1226 C ALA A 79 -0.524 -2.359 -5.681 1.00 0.00 C ATOM 1227 O ALA A 79 -1.422 -1.694 -6.197 1.00 0.00 O ATOM 1228 CB ALA A 79 0.994 -1.532 -3.874 1.00 0.00 C ATOM 0 H ALA A 79 0.147 0.084 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 79 1.606 -2.420 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.867 -2.486 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.988 -1.138 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.242 -0.827 -3.520 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.666 -3.642 -5.363 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.913 -4.357 -5.605 1.00 0.00 C ATOM 1236 C LYS A 80 -2.139 -5.430 -4.545 1.00 0.00 C ATOM 1237 O LYS A 80 -1.394 -6.408 -4.468 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.898 -4.994 -6.996 1.00 0.00 C ATOM 1239 CG LYS A 80 -3.207 -5.667 -7.371 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.445 -5.627 -8.872 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.730 -6.346 -9.252 1.00 0.00 C ATOM 1242 NZ LYS A 80 -5.905 -5.432 -9.225 1.00 0.00 N ATOM 0 H LYS A 80 0.068 -4.208 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.731 -3.639 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.669 -4.227 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.095 -5.730 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.195 -6.703 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.032 -5.172 -6.858 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.494 -4.591 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.603 -6.088 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.626 -6.774 -10.249 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.899 -7.175 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.780 -5.989 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.912 -4.902 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.845 -4.766 -10.021 1.00 0.00 H new ATOM 1256 N LEU A 81 -3.172 -5.243 -3.731 1.00 0.00 N ATOM 1257 CA LEU A 81 -3.498 -6.197 -2.676 1.00 0.00 C ATOM 1258 C LEU A 81 -4.803 -6.924 -2.983 1.00 0.00 C ATOM 1259 O LEU A 81 -5.610 -6.456 -3.785 1.00 0.00 O ATOM 1260 CB LEU A 81 -3.604 -5.480 -1.329 1.00 0.00 C ATOM 1261 CG LEU A 81 -2.407 -4.617 -0.931 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -1.105 -5.289 -1.339 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -2.514 -3.234 -1.557 1.00 0.00 C ATOM 0 H LEU A 81 -3.798 -4.440 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.697 -6.934 -2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.492 -4.848 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.760 -6.229 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.410 -4.504 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.264 -4.660 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.024 -6.256 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.093 -5.433 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.653 -2.634 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.537 -3.327 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.428 -2.749 -1.215 1.00 0.00 H new ATOM 1275 N GLU A 82 -5.002 -8.069 -2.337 1.00 0.00 N ATOM 1276 CA GLU A 82 -6.211 -8.859 -2.541 1.00 0.00 C ATOM 1277 C GLU A 82 -6.694 -9.463 -1.226 1.00 0.00 C ATOM 1278 O GLU A 82 -5.955 -10.178 -0.550 1.00 0.00 O ATOM 1279 CB GLU A 82 -5.954 -9.971 -3.561 1.00 0.00 C ATOM 1280 CG GLU A 82 -6.807 -11.208 -3.340 1.00 0.00 C ATOM 1281 CD GLU A 82 -6.671 -12.219 -4.463 1.00 0.00 C ATOM 1282 OE1 GLU A 82 -6.937 -11.851 -5.626 1.00 0.00 O ATOM 1283 OE2 GLU A 82 -6.299 -13.376 -4.178 1.00 0.00 O ATOM 0 H GLU A 82 -4.343 -8.470 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.987 -8.196 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.142 -9.584 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.902 -10.253 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.523 -11.677 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.852 -10.912 -3.247 1.00 0.00 H new ATOM 1290 N ALA A 83 -7.940 -9.168 -0.869 1.00 0.00 N ATOM 1291 CA ALA A 83 -8.524 -9.682 0.364 1.00 0.00 C ATOM 1292 C ALA A 83 -9.087 -11.084 0.162 1.00 0.00 C ATOM 1293 O ALA A 83 -8.935 -11.678 -0.906 1.00 0.00 O ATOM 1294 CB ALA A 83 -9.610 -8.742 0.866 1.00 0.00 C ATOM 0 H ALA A 83 -8.564 -8.576 -1.416 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.735 -9.740 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.037 -9.138 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.180 -7.759 1.059 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.392 -8.654 0.112 1.00 0.00 H new ATOM 1300 N LYS A 84 -9.739 -11.609 1.194 1.00 0.00 N ATOM 1301 CA LYS A 84 -10.326 -12.942 1.130 1.00 0.00 C ATOM 1302 C LYS A 84 -11.836 -12.862 0.930 1.00 0.00 C ATOM 1303 O LYS A 84 -12.423 -13.682 0.223 1.00 0.00 O ATOM 1304 CB LYS A 84 -10.011 -13.723 2.408 1.00 0.00 C ATOM 1305 CG LYS A 84 -10.553 -13.070 3.668 1.00 0.00 C ATOM 1306 CD LYS A 84 -10.426 -13.989 4.871 1.00 0.00 C ATOM 1307 CE LYS A 84 -11.611 -13.840 5.814 1.00 0.00 C ATOM 1308 NZ LYS A 84 -11.501 -12.615 6.653 1.00 0.00 N ATOM 0 H LYS A 84 -9.874 -11.131 2.085 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.891 -13.463 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -10.426 -14.727 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -8.930 -13.831 2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.013 -12.142 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.600 -12.805 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.355 -15.023 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.503 -13.764 5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.534 -13.802 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.675 -14.717 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.450 -12.226 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.056 -12.855 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.921 -11.907 6.159 1.00 0.00 H new ATOM 1322 N SER A 85 -12.460 -11.869 1.556 1.00 0.00 N ATOM 1323 CA SER A 85 -13.902 -11.684 1.448 1.00 0.00 C ATOM 1324 C SER A 85 -14.237 -10.256 1.027 1.00 0.00 C ATOM 1325 O SER A 85 -13.405 -9.355 1.135 1.00 0.00 O ATOM 1326 CB SER A 85 -14.580 -12.006 2.781 1.00 0.00 C ATOM 1327 OG SER A 85 -14.158 -11.113 3.797 1.00 0.00 O ATOM 0 H SER A 85 -11.989 -11.180 2.143 1.00 0.00 H new ATOM 0 HA SER A 85 -14.274 -12.367 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.662 -11.946 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.347 -13.030 3.073 1.00 0.00 H new ATOM 0 HG SER A 85 -14.607 -11.339 4.638 1.00 0.00 H new ATOM 1333 N SER A 86 -15.460 -10.059 0.546 1.00 0.00 N ATOM 1334 CA SER A 86 -15.904 -8.742 0.104 1.00 0.00 C ATOM 1335 C SER A 86 -15.859 -7.740 1.253 1.00 0.00 C ATOM 1336 O SER A 86 -15.474 -6.586 1.069 1.00 0.00 O ATOM 1337 CB SER A 86 -17.324 -8.823 -0.461 1.00 0.00 C ATOM 1338 OG SER A 86 -18.280 -8.954 0.576 1.00 0.00 O ATOM 0 H SER A 86 -16.161 -10.794 0.452 1.00 0.00 H new ATOM 0 HA SER A 86 -15.227 -8.401 -0.679 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.538 -7.928 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.401 -9.673 -1.140 1.00 0.00 H new ATOM 0 HG SER A 86 -19.179 -9.002 0.188 1.00 0.00 H new ATOM 1344 N GLU A 87 -16.256 -8.190 2.439 1.00 0.00 N ATOM 1345 CA GLU A 87 -16.262 -7.333 3.619 1.00 0.00 C ATOM 1346 C GLU A 87 -14.847 -6.880 3.969 1.00 0.00 C ATOM 1347 O GLU A 87 -14.633 -5.737 4.372 1.00 0.00 O ATOM 1348 CB GLU A 87 -16.882 -8.068 4.808 1.00 0.00 C ATOM 1349 CG GLU A 87 -18.390 -7.905 4.905 1.00 0.00 C ATOM 1350 CD GLU A 87 -19.035 -8.952 5.792 1.00 0.00 C ATOM 1351 OE1 GLU A 87 -18.862 -10.156 5.511 1.00 0.00 O ATOM 1352 OE2 GLU A 87 -19.711 -8.566 6.769 1.00 0.00 O ATOM 0 H GLU A 87 -16.578 -9.143 2.608 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.862 -6.452 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -16.644 -9.129 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.426 -7.703 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.620 -6.913 5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -18.823 -7.964 3.906 1.00 0.00 H new ATOM 1359 N GLU A 88 -13.886 -7.785 3.812 1.00 0.00 N ATOM 1360 CA GLU A 88 -12.493 -7.479 4.113 1.00 0.00 C ATOM 1361 C GLU A 88 -11.974 -6.362 3.212 1.00 0.00 C ATOM 1362 O GLU A 88 -11.446 -5.359 3.691 1.00 0.00 O ATOM 1363 CB GLU A 88 -11.625 -8.728 3.946 1.00 0.00 C ATOM 1364 CG GLU A 88 -10.251 -8.605 4.582 1.00 0.00 C ATOM 1365 CD GLU A 88 -9.546 -9.942 4.713 1.00 0.00 C ATOM 1366 OE1 GLU A 88 -9.787 -10.645 5.716 1.00 0.00 O ATOM 1367 OE2 GLU A 88 -8.754 -10.284 3.810 1.00 0.00 O ATOM 0 H GLU A 88 -14.047 -8.735 3.478 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.438 -7.143 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.143 -9.581 4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.506 -8.938 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.637 -7.932 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.351 -8.153 5.569 1.00 0.00 H new ATOM 1374 N MET A 89 -12.128 -6.545 1.905 1.00 0.00 N ATOM 1375 CA MET A 89 -11.677 -5.552 0.936 1.00 0.00 C ATOM 1376 C MET A 89 -12.307 -4.192 1.217 1.00 0.00 C ATOM 1377 O MET A 89 -11.705 -3.152 0.955 1.00 0.00 O ATOM 1378 CB MET A 89 -12.019 -6.003 -0.485 1.00 0.00 C ATOM 1379 CG MET A 89 -13.507 -5.958 -0.795 1.00 0.00 C ATOM 1380 SD MET A 89 -13.844 -5.694 -2.546 1.00 0.00 S ATOM 1381 CE MET A 89 -12.882 -4.215 -2.857 1.00 0.00 C ATOM 0 H MET A 89 -12.561 -7.371 1.492 1.00 0.00 H new ATOM 0 HA MET A 89 -10.595 -5.456 1.028 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.489 -5.370 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 89 -11.656 -7.020 -0.632 1.00 0.00 H new ATOM 0 HG2 MET A 89 -13.969 -6.893 -0.477 1.00 0.00 H new ATOM 0 HG3 MET A 89 -13.971 -5.160 -0.215 1.00 0.00 H new ATOM 0 HE1 MET A 89 -13.391 -3.599 -3.598 1.00 0.00 H new ATOM 0 HE2 MET A 89 -12.771 -3.651 -1.931 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.897 -4.494 -3.232 1.00 0.00 H new ATOM 1391 N GLY A 90 -13.525 -4.208 1.752 1.00 0.00 N ATOM 1392 CA GLY A 90 -14.216 -2.970 2.058 1.00 0.00 C ATOM 1393 C GLY A 90 -13.628 -2.259 3.261 1.00 0.00 C ATOM 1394 O GLY A 90 -13.764 -1.043 3.401 1.00 0.00 O ATOM 0 H GLY A 90 -14.044 -5.056 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -14.172 -2.309 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.269 -3.182 2.244 1.00 0.00 H new ATOM 1398 N HIS A 91 -12.972 -3.019 4.133 1.00 0.00 N ATOM 1399 CA HIS A 91 -12.361 -2.454 5.331 1.00 0.00 C ATOM 1400 C HIS A 91 -11.013 -1.817 5.005 1.00 0.00 C ATOM 1401 O HIS A 91 -10.593 -0.862 5.658 1.00 0.00 O ATOM 1402 CB HIS A 91 -12.182 -3.536 6.396 1.00 0.00 C ATOM 1403 CG HIS A 91 -11.150 -3.197 7.427 1.00 0.00 C ATOM 1404 ND1 HIS A 91 -11.353 -2.255 8.414 1.00 0.00 N ATOM 1405 CD2 HIS A 91 -9.901 -3.681 7.622 1.00 0.00 C ATOM 1406 CE1 HIS A 91 -10.272 -2.174 9.170 1.00 0.00 C ATOM 1407 NE2 HIS A 91 -9.377 -3.029 8.711 1.00 0.00 N ATOM 0 H HIS A 91 -12.850 -4.027 4.032 1.00 0.00 H new ATOM 0 HA HIS A 91 -13.025 -1.680 5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.137 -3.707 6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.904 -4.471 5.909 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.408 -4.439 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.143 -1.519 10.019 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.447 -3.181 9.102 1.00 0.00 H new ATOM 1416 N TRP A 92 -10.342 -2.352 3.992 1.00 0.00 N ATOM 1417 CA TRP A 92 -9.041 -1.836 3.580 1.00 0.00 C ATOM 1418 C TRP A 92 -9.200 -0.630 2.660 1.00 0.00 C ATOM 1419 O TRP A 92 -8.545 0.396 2.846 1.00 0.00 O ATOM 1420 CB TRP A 92 -8.236 -2.928 2.874 1.00 0.00 C ATOM 1421 CG TRP A 92 -7.499 -3.827 3.820 1.00 0.00 C ATOM 1422 CD1 TRP A 92 -7.939 -5.013 4.335 1.00 0.00 C ATOM 1423 CD2 TRP A 92 -6.192 -3.612 4.364 1.00 0.00 C ATOM 1424 NE1 TRP A 92 -6.985 -5.547 5.167 1.00 0.00 N ATOM 1425 CE2 TRP A 92 -5.903 -4.707 5.201 1.00 0.00 C ATOM 1426 CE3 TRP A 92 -5.237 -2.601 4.223 1.00 0.00 C ATOM 1427 CZ2 TRP A 92 -4.701 -4.818 5.894 1.00 0.00 C ATOM 1428 CZ3 TRP A 92 -4.044 -2.712 4.912 1.00 0.00 C ATOM 1429 CH2 TRP A 92 -3.784 -3.814 5.738 1.00 0.00 C ATOM 0 H TRP A 92 -10.676 -3.142 3.441 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.504 -1.519 4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -8.910 -3.529 2.263 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.521 -2.462 2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -8.896 -5.465 4.120 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -7.069 -6.426 5.677 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -5.428 -1.749 3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.499 -5.666 6.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -3.299 -1.936 4.812 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.841 -3.872 6.262 1.00 0.00 H new ATOM 1440 N LEU A 93 -10.074 -0.760 1.668 1.00 0.00 N ATOM 1441 CA LEU A 93 -10.320 0.320 0.718 1.00 0.00 C ATOM 1442 C LEU A 93 -10.334 1.672 1.424 1.00 0.00 C ATOM 1443 O LEU A 93 -9.521 2.547 1.129 1.00 0.00 O ATOM 1444 CB LEU A 93 -11.647 0.096 -0.007 1.00 0.00 C ATOM 1445 CG LEU A 93 -11.601 -0.834 -1.220 1.00 0.00 C ATOM 1446 CD1 LEU A 93 -12.967 -0.913 -1.885 1.00 0.00 C ATOM 1447 CD2 LEU A 93 -10.548 -0.364 -2.213 1.00 0.00 C ATOM 0 H LEU A 93 -10.624 -1.602 1.500 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.511 0.320 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.365 -0.307 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -12.029 1.064 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 93 -11.329 -1.832 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.915 -1.579 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.697 -1.298 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.270 0.081 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.529 -1.038 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.789 0.644 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.570 -0.361 -1.732 1.00 0.00 H new ATOM 1459 N GLY A 94 -11.264 1.836 2.360 1.00 0.00 N ATOM 1460 CA GLY A 94 -11.366 3.083 3.095 1.00 0.00 C ATOM 1461 C GLY A 94 -10.160 3.337 3.976 1.00 0.00 C ATOM 1462 O GLY A 94 -9.768 4.485 4.190 1.00 0.00 O ATOM 0 H GLY A 94 -11.949 1.127 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.478 3.908 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.265 3.065 3.711 1.00 0.00 H new ATOM 1466 N LEU A 95 -9.569 2.264 4.492 1.00 0.00 N ATOM 1467 CA LEU A 95 -8.400 2.376 5.357 1.00 0.00 C ATOM 1468 C LEU A 95 -7.242 3.046 4.624 1.00 0.00 C ATOM 1469 O LEU A 95 -6.660 4.014 5.115 1.00 0.00 O ATOM 1470 CB LEU A 95 -7.973 0.993 5.852 1.00 0.00 C ATOM 1471 CG LEU A 95 -6.590 0.909 6.499 1.00 0.00 C ATOM 1472 CD1 LEU A 95 -6.677 1.218 7.985 1.00 0.00 C ATOM 1473 CD2 LEU A 95 -5.979 -0.466 6.273 1.00 0.00 C ATOM 0 H LEU A 95 -9.880 1.307 4.326 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.670 2.994 6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.711 0.644 6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.000 0.303 5.009 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.945 1.653 6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.684 1.153 8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.072 2.224 8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.338 0.498 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.995 -0.508 6.740 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.623 -1.227 6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.881 -0.649 5.203 1.00 0.00 H new ATOM 1485 N LEU A 96 -6.915 2.527 3.446 1.00 0.00 N ATOM 1486 CA LEU A 96 -5.828 3.076 2.643 1.00 0.00 C ATOM 1487 C LEU A 96 -6.184 4.464 2.121 1.00 0.00 C ATOM 1488 O LEU A 96 -5.420 5.416 2.284 1.00 0.00 O ATOM 1489 CB LEU A 96 -5.510 2.144 1.472 1.00 0.00 C ATOM 1490 CG LEU A 96 -5.010 0.747 1.843 1.00 0.00 C ATOM 1491 CD1 LEU A 96 -5.295 -0.237 0.719 1.00 0.00 C ATOM 1492 CD2 LEU A 96 -3.522 0.781 2.160 1.00 0.00 C ATOM 0 H LEU A 96 -7.387 1.727 3.025 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.947 3.162 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.409 2.037 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.757 2.623 0.846 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.544 0.415 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.932 -1.226 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.369 -0.282 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.788 0.091 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.183 -0.221 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.972 1.134 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.344 1.455 2.998 1.00 0.00 H new ATOM 1504 N LEU A 97 -7.350 4.573 1.493 1.00 0.00 N ATOM 1505 CA LEU A 97 -7.810 5.846 0.949 1.00 0.00 C ATOM 1506 C LEU A 97 -7.495 6.992 1.904 1.00 0.00 C ATOM 1507 O LEU A 97 -6.846 7.968 1.526 1.00 0.00 O ATOM 1508 CB LEU A 97 -9.314 5.793 0.676 1.00 0.00 C ATOM 1509 CG LEU A 97 -9.728 5.294 -0.709 1.00 0.00 C ATOM 1510 CD1 LEU A 97 -11.170 4.813 -0.694 1.00 0.00 C ATOM 1511 CD2 LEU A 97 -9.539 6.389 -1.749 1.00 0.00 C ATOM 0 H LEU A 97 -7.994 3.795 1.348 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.283 6.024 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.776 5.150 1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.724 6.793 0.817 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.089 4.452 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.447 4.462 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -11.274 3.997 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.825 5.635 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.839 6.016 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.152 7.251 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.491 6.685 -1.779 1.00 0.00 H new ATOM 1523 N SER A 98 -7.957 6.867 3.144 1.00 0.00 N ATOM 1524 CA SER A 98 -7.726 7.894 4.153 1.00 0.00 C ATOM 1525 C SER A 98 -6.257 8.304 4.185 1.00 0.00 C ATOM 1526 O SER A 98 -5.922 9.468 3.971 1.00 0.00 O ATOM 1527 CB SER A 98 -8.156 7.389 5.532 1.00 0.00 C ATOM 1528 OG SER A 98 -8.263 8.458 6.456 1.00 0.00 O ATOM 0 H SER A 98 -8.493 6.065 3.474 1.00 0.00 H new ATOM 0 HA SER A 98 -8.323 8.767 3.890 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.114 6.876 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.433 6.659 5.897 1.00 0.00 H new ATOM 0 HG SER A 98 -8.541 8.109 7.329 1.00 0.00 H new ATOM 1534 N GLU A 99 -5.385 7.337 4.453 1.00 0.00 N ATOM 1535 CA GLU A 99 -3.951 7.597 4.514 1.00 0.00 C ATOM 1536 C GLU A 99 -3.464 8.260 3.228 1.00 0.00 C ATOM 1537 O GLU A 99 -2.714 9.235 3.266 1.00 0.00 O ATOM 1538 CB GLU A 99 -3.184 6.295 4.752 1.00 0.00 C ATOM 1539 CG GLU A 99 -3.562 5.594 6.045 1.00 0.00 C ATOM 1540 CD GLU A 99 -3.030 6.307 7.273 1.00 0.00 C ATOM 1541 OE1 GLU A 99 -3.207 7.539 7.368 1.00 0.00 O ATOM 1542 OE2 GLU A 99 -2.437 5.631 8.141 1.00 0.00 O ATOM 0 H GLU A 99 -5.646 6.367 4.631 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.765 8.276 5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.364 5.619 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -2.115 6.510 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.648 5.524 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.178 4.574 6.027 1.00 0.00 H new ATOM 1549 N SER A 100 -3.896 7.723 2.092 1.00 0.00 N ATOM 1550 CA SER A 100 -3.501 8.258 0.794 1.00 0.00 C ATOM 1551 C SER A 100 -4.279 9.530 0.472 1.00 0.00 C ATOM 1552 O SER A 100 -4.829 9.675 -0.619 1.00 0.00 O ATOM 1553 CB SER A 100 -3.729 7.216 -0.302 1.00 0.00 C ATOM 1554 OG SER A 100 -5.109 7.073 -0.591 1.00 0.00 O ATOM 0 H SER A 100 -4.520 6.917 2.044 1.00 0.00 H new ATOM 0 HA SER A 100 -2.440 8.503 0.837 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.194 7.510 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.319 6.257 0.013 1.00 0.00 H new ATOM 0 HG SER A 100 -5.464 7.924 -0.922 1.00 0.00 H new