USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 870 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 103 LYS NZ :NH3+ -124:sc= 0.35 (180deg=0) USER MOD Set 1.2: A 108 HIS : no HE2:sc= 1.13 K(o=1.8,f=-8.5!) USER MOD Set 1.3: A 112 SER OG : rot 180:sc= 0.285 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 150:sc= -0.273 USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= 1.02 (180deg=0.537) USER MOD Single : A 20 SER OG : rot 61:sc= 0.586 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.49) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.869 K(o=-0.87,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 26:sc= 0.439 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0181 USER MOD Single : A 53 SER OG : rot 41:sc= 0.704 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0051) USER MOD Single : A 60 GLN : amide:sc= -0.0648 K(o=-0.065,f=-1.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 69 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.05 K(o=-0.05,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -177:sc= -1.21 (180deg=-1.32) USER MOD Single : A 92 TYR OH : rot -62:sc= 0.162 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.233 K(o=-0.23,f=-2) USER MOD Single : A 99 LYS NZ :NH3+ -124:sc= -0.0469 (180deg=-0.874) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 107 GLN : amide:sc= -5.9! C(o=-5.9!,f=-4.5!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 0:sc= -0.326 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 10.205 24.718 -0.256 1.00 0.00 N ATOM 110 CA GLU A 12 9.601 23.732 -1.145 1.00 0.00 C ATOM 111 C GLU A 12 8.140 23.491 -0.778 1.00 0.00 C ATOM 112 O GLU A 12 7.660 23.970 0.250 1.00 0.00 O ATOM 113 CB GLU A 12 10.378 22.415 -1.084 1.00 0.00 C ATOM 114 CG GLU A 12 10.212 21.671 0.230 1.00 0.00 C ATOM 115 CD GLU A 12 11.250 20.582 0.419 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.992 19.436 -0.003 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.321 20.877 0.990 1.00 0.00 O ATOM 0 HA GLU A 12 9.642 24.123 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.050 21.771 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.436 22.620 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.280 22.380 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.216 21.229 0.270 1.00 0.00 H new ATOM 124 N ARG A 13 7.439 22.746 -1.626 1.00 0.00 N ATOM 125 CA ARG A 13 6.032 22.443 -1.392 1.00 0.00 C ATOM 126 C ARG A 13 5.873 21.441 -0.253 1.00 0.00 C ATOM 127 O ARG A 13 6.814 20.727 0.093 1.00 0.00 O ATOM 128 CB ARG A 13 5.390 21.888 -2.666 1.00 0.00 C ATOM 129 CG ARG A 13 5.301 22.903 -3.794 1.00 0.00 C ATOM 130 CD ARG A 13 6.559 22.896 -4.649 1.00 0.00 C ATOM 131 NE ARG A 13 6.336 23.508 -5.956 1.00 0.00 N ATOM 132 CZ ARG A 13 7.243 23.521 -6.926 1.00 0.00 C ATOM 133 NH1 ARG A 13 8.428 22.957 -6.738 1.00 0.00 N ATOM 134 NH2 ARG A 13 6.965 24.098 -8.088 1.00 0.00 N ATOM 0 H ARG A 13 7.822 22.341 -2.481 1.00 0.00 H new ATOM 0 HA ARG A 13 5.529 23.368 -1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.965 21.027 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.388 21.529 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.435 22.681 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.148 23.899 -3.378 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.354 23.431 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.901 21.870 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 13 5.434 23.950 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.645 22.511 -5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.123 22.969 -7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.054 24.532 -8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.662 24.108 -8.832 1.00 0.00 H new ATOM 148 N GLN A 14 4.678 21.395 0.327 1.00 0.00 N ATOM 149 CA GLN A 14 4.398 20.481 1.428 1.00 0.00 C ATOM 150 C GLN A 14 3.567 19.294 0.953 1.00 0.00 C ATOM 151 O GLN A 14 2.352 19.402 0.781 1.00 0.00 O ATOM 152 CB GLN A 14 3.665 21.215 2.553 1.00 0.00 C ATOM 153 CG GLN A 14 4.418 22.424 3.083 1.00 0.00 C ATOM 154 CD GLN A 14 4.109 22.711 4.539 1.00 0.00 C ATOM 155 OE1 GLN A 14 2.972 23.022 4.895 1.00 0.00 O ATOM 156 NE2 GLN A 14 5.122 22.608 5.391 1.00 0.00 N ATOM 0 H GLN A 14 3.888 21.980 0.053 1.00 0.00 H new ATOM 0 HA GLN A 14 5.349 20.106 1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.689 21.536 2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.487 20.520 3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.489 22.259 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.164 23.297 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.048 22.347 5.053 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.974 22.789 6.384 1.00 0.00 H new ATOM 165 N LEU A 15 4.229 18.162 0.741 1.00 0.00 N ATOM 166 CA LEU A 15 3.551 16.954 0.284 1.00 0.00 C ATOM 167 C LEU A 15 2.354 16.632 1.173 1.00 0.00 C ATOM 168 O LEU A 15 2.479 16.554 2.396 1.00 0.00 O ATOM 169 CB LEU A 15 4.524 15.773 0.273 1.00 0.00 C ATOM 170 CG LEU A 15 3.892 14.382 0.331 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.936 14.181 -0.835 1.00 0.00 C ATOM 172 CD2 LEU A 15 4.969 13.307 0.331 1.00 0.00 C ATOM 0 H LEU A 15 5.234 18.055 0.878 1.00 0.00 H new ATOM 0 HA LEU A 15 3.191 17.130 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.131 15.837 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.201 15.878 1.121 1.00 0.00 H new ATOM 0 HG LEU A 15 3.324 14.300 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.496 13.186 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.146 14.930 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.481 14.283 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.501 12.323 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.564 13.388 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.615 13.439 1.199 1.00 0.00 H new ATOM 184 N SER A 16 1.195 16.443 0.551 1.00 0.00 N ATOM 185 CA SER A 16 -0.025 16.131 1.286 1.00 0.00 C ATOM 186 C SER A 16 -0.496 14.713 0.979 1.00 0.00 C ATOM 187 O SER A 16 -1.050 14.431 -0.084 1.00 0.00 O ATOM 188 CB SER A 16 -1.127 17.133 0.936 1.00 0.00 C ATOM 189 OG SER A 16 -2.260 16.956 1.768 1.00 0.00 O ATOM 0 H SER A 16 1.075 16.500 -0.460 1.00 0.00 H new ATOM 0 HA SER A 16 0.194 16.200 2.351 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.747 18.149 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.416 17.011 -0.108 1.00 0.00 H new ATOM 0 HG SER A 16 -2.715 17.815 1.888 1.00 0.00 H new ATOM 195 N PRO A 17 -0.272 13.797 1.933 1.00 0.00 N ATOM 196 CA PRO A 17 -0.665 12.392 1.789 1.00 0.00 C ATOM 197 C PRO A 17 -2.178 12.206 1.830 1.00 0.00 C ATOM 198 O PRO A 17 -2.734 11.401 1.084 1.00 0.00 O ATOM 199 CB PRO A 17 -0.010 11.715 2.996 1.00 0.00 C ATOM 200 CG PRO A 17 0.136 12.801 4.006 1.00 0.00 C ATOM 201 CD PRO A 17 0.383 14.062 3.225 1.00 0.00 C ATOM 0 HA PRO A 17 -0.354 11.978 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.627 10.901 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.957 11.286 2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.763 12.890 4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.963 12.594 4.685 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.045 14.933 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.448 14.257 3.103 1.00 0.00 H new ATOM 209 N GLU A 18 -2.838 12.957 2.707 1.00 0.00 N ATOM 210 CA GLU A 18 -4.287 12.874 2.844 1.00 0.00 C ATOM 211 C GLU A 18 -4.978 13.184 1.519 1.00 0.00 C ATOM 212 O GLU A 18 -6.053 12.659 1.228 1.00 0.00 O ATOM 213 CB GLU A 18 -4.776 13.840 3.925 1.00 0.00 C ATOM 214 CG GLU A 18 -4.314 15.272 3.715 1.00 0.00 C ATOM 215 CD GLU A 18 -5.050 16.258 4.601 1.00 0.00 C ATOM 216 OE1 GLU A 18 -6.233 16.006 4.912 1.00 0.00 O ATOM 217 OE2 GLU A 18 -4.445 17.282 4.982 1.00 0.00 O ATOM 0 H GLU A 18 -2.392 13.629 3.332 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.540 11.855 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.865 13.819 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.425 13.493 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.244 15.338 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.461 15.548 2.671 1.00 0.00 H new ATOM 224 N LYS A 19 -4.353 14.042 0.720 1.00 0.00 N ATOM 225 CA LYS A 19 -4.905 14.424 -0.575 1.00 0.00 C ATOM 226 C LYS A 19 -4.478 13.441 -1.659 1.00 0.00 C ATOM 227 O LYS A 19 -5.187 13.244 -2.646 1.00 0.00 O ATOM 228 CB LYS A 19 -4.455 15.838 -0.947 1.00 0.00 C ATOM 229 CG LYS A 19 -5.069 16.921 -0.077 1.00 0.00 C ATOM 230 CD LYS A 19 -5.196 18.235 -0.829 1.00 0.00 C ATOM 231 CE LYS A 19 -6.211 18.136 -1.957 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.804 19.461 -2.288 1.00 0.00 N ATOM 0 H LYS A 19 -3.463 14.486 0.946 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.992 14.404 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.369 15.896 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.714 16.030 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.053 16.600 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.455 17.067 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.494 19.023 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.225 18.518 -1.236 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.730 17.722 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.004 17.444 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.701 19.323 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.980 19.991 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.145 19.996 -2.889 1.00 0.00 H new ATOM 246 N SER A 20 -3.315 12.825 -1.469 1.00 0.00 N ATOM 247 CA SER A 20 -2.792 11.864 -2.433 1.00 0.00 C ATOM 248 C SER A 20 -3.852 10.828 -2.796 1.00 0.00 C ATOM 249 O SER A 20 -4.585 10.347 -1.933 1.00 0.00 O ATOM 250 CB SER A 20 -1.553 11.166 -1.869 1.00 0.00 C ATOM 251 OG SER A 20 -0.442 12.045 -1.840 1.00 0.00 O ATOM 0 H SER A 20 -2.717 12.975 -0.656 1.00 0.00 H new ATOM 0 HA SER A 20 -2.514 12.407 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.762 10.805 -0.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.315 10.293 -2.477 1.00 0.00 H new ATOM 0 HG SER A 20 -0.643 12.807 -1.258 1.00 0.00 H new ATOM 257 N GLU A 21 -3.925 10.490 -4.080 1.00 0.00 N ATOM 258 CA GLU A 21 -4.895 9.512 -4.558 1.00 0.00 C ATOM 259 C GLU A 21 -4.208 8.201 -4.931 1.00 0.00 C ATOM 260 O GLU A 21 -3.198 8.197 -5.635 1.00 0.00 O ATOM 261 CB GLU A 21 -5.656 10.063 -5.766 1.00 0.00 C ATOM 262 CG GLU A 21 -6.234 11.450 -5.540 1.00 0.00 C ATOM 263 CD GLU A 21 -7.402 11.752 -6.458 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.537 11.352 -6.126 1.00 0.00 O ATOM 265 OE2 GLU A 21 -7.180 12.389 -7.509 1.00 0.00 O ATOM 0 H GLU A 21 -3.324 10.879 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.601 9.316 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.985 10.094 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.465 9.378 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.559 11.540 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.453 12.195 -5.695 1.00 0.00 H new ATOM 272 N ILE A 22 -4.762 7.093 -4.452 1.00 0.00 N ATOM 273 CA ILE A 22 -4.204 5.776 -4.735 1.00 0.00 C ATOM 274 C ILE A 22 -5.167 4.939 -5.570 1.00 0.00 C ATOM 275 O ILE A 22 -6.148 4.404 -5.054 1.00 0.00 O ATOM 276 CB ILE A 22 -3.871 5.016 -3.438 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.915 5.837 -2.571 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.267 3.657 -3.762 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.577 5.176 -1.252 1.00 0.00 C ATOM 0 H ILE A 22 -5.597 7.080 -3.866 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.285 5.936 -5.298 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.793 4.859 -2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.994 6.013 -3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.361 6.812 -2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.037 3.131 -2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.979 3.072 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.352 3.794 -4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.895 5.814 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.490 5.024 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.102 4.213 -1.439 1.00 0.00 H new ATOM 291 N TRP A 23 -4.878 4.828 -6.861 1.00 0.00 N ATOM 292 CA TRP A 23 -5.718 4.053 -7.768 1.00 0.00 C ATOM 293 C TRP A 23 -4.977 2.822 -8.278 1.00 0.00 C ATOM 294 O TRP A 23 -3.747 2.785 -8.287 1.00 0.00 O ATOM 295 CB TRP A 23 -6.166 4.919 -8.947 1.00 0.00 C ATOM 296 CG TRP A 23 -5.124 5.053 -10.015 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.895 4.193 -11.050 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.168 6.111 -10.151 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.854 4.651 -11.822 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.392 5.826 -11.292 1.00 0.00 C ATOM 301 CE3 TRP A 23 -3.893 7.271 -9.422 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.361 6.660 -11.717 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -2.869 8.097 -9.845 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.114 7.789 -10.984 1.00 0.00 C ATOM 0 H TRP A 23 -4.069 5.264 -7.304 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.597 3.722 -7.215 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.068 4.489 -9.382 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.430 5.911 -8.580 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.450 3.285 -11.235 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.486 4.191 -12.654 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.471 7.518 -8.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.777 6.424 -12.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.647 8.995 -9.288 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.321 8.456 -11.290 1.00 0.00 H new ATOM 315 N GLY A 24 -5.733 1.815 -8.704 1.00 0.00 N ATOM 316 CA GLY A 24 -5.129 0.596 -9.210 1.00 0.00 C ATOM 317 C GLY A 24 -6.114 -0.554 -9.277 1.00 0.00 C ATOM 318 O GLY A 24 -7.121 -0.580 -8.570 1.00 0.00 O ATOM 0 H GLY A 24 -6.753 1.821 -8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.723 0.781 -10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.292 0.316 -8.571 1.00 0.00 H new ATOM 322 N PRO A 25 -5.827 -1.534 -10.147 1.00 0.00 N ATOM 323 CA PRO A 25 -6.684 -2.711 -10.325 1.00 0.00 C ATOM 324 C PRO A 25 -6.651 -3.640 -9.117 1.00 0.00 C ATOM 325 O PRO A 25 -7.611 -4.362 -8.851 1.00 0.00 O ATOM 326 CB PRO A 25 -6.082 -3.405 -11.550 1.00 0.00 C ATOM 327 CG PRO A 25 -4.657 -2.970 -11.570 1.00 0.00 C ATOM 328 CD PRO A 25 -4.644 -1.570 -11.023 1.00 0.00 C ATOM 0 HA PRO A 25 -7.732 -2.438 -10.444 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.164 -4.489 -11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.598 -3.112 -12.464 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.038 -3.632 -10.964 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.255 -2.997 -12.583 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.728 -1.364 -10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.710 -0.827 -11.818 1.00 0.00 H new ATOM 336 N GLY A 26 -5.540 -3.616 -8.387 1.00 0.00 N ATOM 337 CA GLY A 26 -5.404 -4.461 -7.215 1.00 0.00 C ATOM 338 C GLY A 26 -6.599 -4.363 -6.288 1.00 0.00 C ATOM 339 O GLY A 26 -7.014 -5.357 -5.690 1.00 0.00 O ATOM 0 H GLY A 26 -4.732 -3.026 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.277 -5.497 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.502 -4.180 -6.671 1.00 0.00 H new ATOM 343 N LEU A 27 -7.154 -3.163 -6.166 1.00 0.00 N ATOM 344 CA LEU A 27 -8.309 -2.938 -5.303 1.00 0.00 C ATOM 345 C LEU A 27 -9.518 -3.726 -5.796 1.00 0.00 C ATOM 346 O LEU A 27 -10.410 -4.067 -5.018 1.00 0.00 O ATOM 347 CB LEU A 27 -8.646 -1.447 -5.247 1.00 0.00 C ATOM 348 CG LEU A 27 -7.552 -0.532 -4.695 1.00 0.00 C ATOM 349 CD1 LEU A 27 -7.796 0.908 -5.119 1.00 0.00 C ATOM 350 CD2 LEU A 27 -7.483 -0.639 -3.178 1.00 0.00 C ATOM 0 H LEU A 27 -6.823 -2.330 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.056 -3.285 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.897 -1.114 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.540 -1.320 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.595 -0.853 -5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.008 1.544 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.795 0.972 -6.207 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.761 1.241 -4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.699 0.019 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.441 -0.345 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.260 -1.668 -2.896 1.00 0.00 H new ATOM 362 N LYS A 28 -9.542 -4.014 -7.093 1.00 0.00 N ATOM 363 CA LYS A 28 -10.640 -4.765 -7.690 1.00 0.00 C ATOM 364 C LYS A 28 -10.827 -6.106 -6.988 1.00 0.00 C ATOM 365 O LYS A 28 -9.888 -6.649 -6.407 1.00 0.00 O ATOM 366 CB LYS A 28 -10.379 -4.990 -9.181 1.00 0.00 C ATOM 367 CG LYS A 28 -10.289 -3.704 -9.984 1.00 0.00 C ATOM 368 CD LYS A 28 -9.987 -3.979 -11.447 1.00 0.00 C ATOM 369 CE LYS A 28 -11.229 -4.437 -12.196 1.00 0.00 C ATOM 370 NZ LYS A 28 -12.064 -3.287 -12.640 1.00 0.00 N ATOM 0 H LYS A 28 -8.813 -3.738 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.553 -4.182 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.450 -5.547 -9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.176 -5.610 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.228 -3.157 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.511 -3.066 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.591 -3.077 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.213 -4.743 -11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.933 -5.027 -13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.821 -5.089 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.901 -3.641 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.368 -2.738 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.508 -2.678 -13.274 1.00 0.00 H new ATOM 384 N ALA A 29 -12.045 -6.635 -7.048 1.00 0.00 N ATOM 385 CA ALA A 29 -12.353 -7.914 -6.421 1.00 0.00 C ATOM 386 C ALA A 29 -11.614 -9.056 -7.110 1.00 0.00 C ATOM 387 O ALA A 29 -10.810 -9.752 -6.489 1.00 0.00 O ATOM 388 CB ALA A 29 -13.854 -8.165 -6.443 1.00 0.00 C ATOM 0 H ALA A 29 -12.834 -6.198 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.018 -7.872 -5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.070 -9.124 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.364 -7.370 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.205 -8.181 -7.475 1.00 0.00 H new ATOM 394 N ASP A 30 -11.892 -9.244 -8.395 1.00 0.00 N ATOM 395 CA ASP A 30 -11.253 -10.302 -9.169 1.00 0.00 C ATOM 396 C ASP A 30 -9.807 -9.940 -9.494 1.00 0.00 C ATOM 397 O ASP A 30 -9.534 -9.246 -10.474 1.00 0.00 O ATOM 398 CB ASP A 30 -12.030 -10.559 -10.461 1.00 0.00 C ATOM 399 CG ASP A 30 -11.541 -11.792 -11.196 1.00 0.00 C ATOM 400 OD1 ASP A 30 -11.029 -12.716 -10.529 1.00 0.00 O ATOM 401 OD2 ASP A 30 -11.670 -11.833 -12.437 1.00 0.00 O ATOM 0 H ASP A 30 -12.556 -8.677 -8.923 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.255 -11.210 -8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.088 -10.675 -10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.940 -9.691 -11.114 1.00 0.00 H new ATOM 406 N VAL A 31 -8.883 -10.414 -8.664 1.00 0.00 N ATOM 407 CA VAL A 31 -7.464 -10.140 -8.862 1.00 0.00 C ATOM 408 C VAL A 31 -6.746 -11.355 -9.439 1.00 0.00 C ATOM 409 O VAL A 31 -7.194 -12.490 -9.276 1.00 0.00 O ATOM 410 CB VAL A 31 -6.782 -9.731 -7.544 1.00 0.00 C ATOM 411 CG1 VAL A 31 -7.416 -8.467 -6.983 1.00 0.00 C ATOM 412 CG2 VAL A 31 -6.853 -10.866 -6.533 1.00 0.00 C ATOM 0 H VAL A 31 -9.091 -10.990 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.396 -9.312 -9.568 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.732 -9.522 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.920 -8.194 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.308 -7.656 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.474 -8.645 -6.792 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.366 -10.560 -5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.896 -11.109 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.348 -11.744 -6.935 1.00 0.00 H new ATOM 422 N VAL A 32 -5.627 -11.109 -10.113 1.00 0.00 N ATOM 423 CA VAL A 32 -4.844 -12.182 -10.713 1.00 0.00 C ATOM 424 C VAL A 32 -4.552 -13.282 -9.698 1.00 0.00 C ATOM 425 O VAL A 32 -4.657 -13.071 -8.489 1.00 0.00 O ATOM 426 CB VAL A 32 -3.512 -11.656 -11.280 1.00 0.00 C ATOM 427 CG1 VAL A 32 -3.757 -10.485 -12.219 1.00 0.00 C ATOM 428 CG2 VAL A 32 -2.572 -11.259 -10.152 1.00 0.00 C ATOM 0 H VAL A 32 -5.242 -10.175 -10.257 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.441 -12.592 -11.528 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.039 -12.455 -11.851 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.805 -10.127 -12.610 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.390 -10.808 -13.046 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.252 -9.680 -11.676 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.636 -10.890 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.035 -10.476 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.371 -12.127 -9.524 1.00 0.00 H new ATOM 438 N LEU A 33 -4.184 -14.457 -10.197 1.00 0.00 N ATOM 439 CA LEU A 33 -3.876 -15.592 -9.334 1.00 0.00 C ATOM 440 C LEU A 33 -2.765 -15.242 -8.349 1.00 0.00 C ATOM 441 O LEU A 33 -2.893 -15.430 -7.139 1.00 0.00 O ATOM 442 CB LEU A 33 -3.463 -16.801 -10.177 1.00 0.00 C ATOM 443 CG LEU A 33 -3.938 -18.164 -9.672 1.00 0.00 C ATOM 444 CD1 LEU A 33 -5.367 -18.431 -10.119 1.00 0.00 C ATOM 445 CD2 LEU A 33 -3.009 -19.266 -10.160 1.00 0.00 C ATOM 0 H LEU A 33 -4.092 -14.649 -11.195 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.774 -15.840 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.841 -16.659 -11.190 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.375 -16.819 -10.242 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.917 -18.154 -8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.688 -19.405 -9.750 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.024 -17.658 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.415 -18.421 -11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.362 -20.229 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.998 -19.277 -11.250 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.001 -19.083 -9.789 1.00 0.00 H new ATOM 457 N PRO A 34 -1.649 -14.717 -8.877 1.00 0.00 N ATOM 458 CA PRO A 34 -0.496 -14.326 -8.062 1.00 0.00 C ATOM 459 C PRO A 34 -0.782 -13.100 -7.202 1.00 0.00 C ATOM 460 O PRO A 34 -1.256 -13.219 -6.072 1.00 0.00 O ATOM 461 CB PRO A 34 0.583 -14.010 -9.101 1.00 0.00 C ATOM 462 CG PRO A 34 -0.173 -13.637 -10.330 1.00 0.00 C ATOM 463 CD PRO A 34 -1.428 -14.465 -10.311 1.00 0.00 C ATOM 0 HA PRO A 34 -0.213 -15.107 -7.357 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.226 -13.195 -8.769 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.227 -14.872 -9.278 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.408 -12.573 -10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.414 -13.839 -11.226 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.267 -13.933 -10.759 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.305 -15.394 -10.868 1.00 0.00 H new ATOM 471 N ALA A 35 -0.493 -11.922 -7.745 1.00 0.00 N ATOM 472 CA ALA A 35 -0.723 -10.674 -7.028 1.00 0.00 C ATOM 473 C ALA A 35 -0.763 -9.489 -7.987 1.00 0.00 C ATOM 474 O ALA A 35 -0.124 -9.508 -9.039 1.00 0.00 O ATOM 475 CB ALA A 35 0.354 -10.465 -5.973 1.00 0.00 C ATOM 0 H ALA A 35 -0.099 -11.806 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.692 -10.741 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.170 -9.529 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.333 -11.292 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.331 -10.424 -6.454 1.00 0.00 H new ATOM 481 N ARG A 36 -1.517 -8.459 -7.617 1.00 0.00 N ATOM 482 CA ARG A 36 -1.642 -7.266 -8.446 1.00 0.00 C ATOM 483 C ARG A 36 -0.799 -6.125 -7.886 1.00 0.00 C ATOM 484 O ARG A 36 -0.294 -6.204 -6.766 1.00 0.00 O ATOM 485 CB ARG A 36 -3.107 -6.835 -8.539 1.00 0.00 C ATOM 486 CG ARG A 36 -3.948 -7.727 -9.437 1.00 0.00 C ATOM 487 CD ARG A 36 -5.247 -7.045 -9.838 1.00 0.00 C ATOM 488 NE ARG A 36 -5.812 -7.619 -11.057 1.00 0.00 N ATOM 489 CZ ARG A 36 -5.331 -7.380 -12.273 1.00 0.00 C ATOM 490 NH1 ARG A 36 -4.283 -6.584 -12.430 1.00 0.00 N ATOM 491 NH2 ARG A 36 -5.899 -7.938 -13.334 1.00 0.00 N ATOM 0 H ARG A 36 -2.051 -8.427 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.278 -7.508 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.540 -6.830 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.153 -5.812 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.380 -7.985 -10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.170 -8.660 -8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.969 -7.134 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.066 -5.981 -9.988 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.619 -8.237 -10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.843 -6.153 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.916 -6.402 -13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.706 -8.551 -13.217 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.529 -7.754 -14.267 1.00 0.00 H new ATOM 505 N TYR A 37 -0.650 -5.065 -8.673 1.00 0.00 N ATOM 506 CA TYR A 37 0.134 -3.908 -8.257 1.00 0.00 C ATOM 507 C TYR A 37 -0.597 -2.609 -8.581 1.00 0.00 C ATOM 508 O TYR A 37 -1.316 -2.519 -9.577 1.00 0.00 O ATOM 509 CB TYR A 37 1.502 -3.921 -8.942 1.00 0.00 C ATOM 510 CG TYR A 37 1.424 -3.889 -10.451 1.00 0.00 C ATOM 511 CD1 TYR A 37 1.061 -5.019 -11.172 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.713 -2.727 -11.157 1.00 0.00 C ATOM 513 CE1 TYR A 37 0.989 -4.995 -12.552 1.00 0.00 C ATOM 514 CE2 TYR A 37 1.643 -2.692 -12.536 1.00 0.00 C ATOM 515 CZ TYR A 37 1.281 -3.829 -13.229 1.00 0.00 C ATOM 516 OH TYR A 37 1.209 -3.800 -14.603 1.00 0.00 O ATOM 0 H TYR A 37 -1.062 -4.983 -9.603 1.00 0.00 H new ATOM 0 HA TYR A 37 0.274 -3.965 -7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.079 -3.063 -8.598 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.045 -4.814 -8.634 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.831 -5.933 -10.645 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.997 -1.836 -10.618 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.706 -5.883 -13.097 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.870 -1.780 -13.069 1.00 0.00 H new ATOM 0 HH TYR A 37 1.444 -2.904 -14.924 1.00 0.00 H new ATOM 526 N PHE A 38 -0.407 -1.604 -7.734 1.00 0.00 N ATOM 527 CA PHE A 38 -1.048 -0.308 -7.928 1.00 0.00 C ATOM 528 C PHE A 38 -0.016 0.816 -7.922 1.00 0.00 C ATOM 529 O PHE A 38 1.163 0.589 -7.652 1.00 0.00 O ATOM 530 CB PHE A 38 -2.092 -0.063 -6.837 1.00 0.00 C ATOM 531 CG PHE A 38 -1.564 -0.266 -5.445 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.195 -1.528 -5.007 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.437 0.805 -4.575 1.00 0.00 C ATOM 534 CE1 PHE A 38 -0.708 -1.718 -3.728 1.00 0.00 C ATOM 535 CE2 PHE A 38 -0.950 0.620 -3.295 1.00 0.00 C ATOM 536 CZ PHE A 38 -0.586 -0.643 -2.870 1.00 0.00 C ATOM 0 H PHE A 38 0.186 -1.661 -6.906 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.543 -0.318 -8.899 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.470 0.955 -6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.937 -0.732 -6.997 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.289 -2.373 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.722 1.795 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.423 -2.707 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.854 1.463 -2.627 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.207 -0.789 -1.869 1.00 0.00 H new ATOM 546 N TYR A 39 -0.469 2.028 -8.222 1.00 0.00 N ATOM 547 CA TYR A 39 0.415 3.187 -8.255 1.00 0.00 C ATOM 548 C TYR A 39 0.130 4.122 -7.083 1.00 0.00 C ATOM 549 O TYR A 39 -0.891 3.995 -6.407 1.00 0.00 O ATOM 550 CB TYR A 39 0.251 3.942 -9.575 1.00 0.00 C ATOM 551 CG TYR A 39 0.298 3.048 -10.794 1.00 0.00 C ATOM 552 CD1 TYR A 39 -0.760 2.200 -11.098 1.00 0.00 C ATOM 553 CD2 TYR A 39 1.400 3.051 -11.640 1.00 0.00 C ATOM 554 CE1 TYR A 39 -0.721 1.381 -12.210 1.00 0.00 C ATOM 555 CE2 TYR A 39 1.446 2.236 -12.755 1.00 0.00 C ATOM 556 CZ TYR A 39 0.383 1.403 -13.035 1.00 0.00 C ATOM 557 OH TYR A 39 0.426 0.589 -14.144 1.00 0.00 O ATOM 0 H TYR A 39 -1.443 2.233 -8.446 1.00 0.00 H new ATOM 0 HA TYR A 39 1.442 2.832 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.699 4.476 -9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.037 4.693 -9.655 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.627 2.181 -10.454 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.235 3.701 -11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.551 0.727 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.309 2.251 -13.404 1.00 0.00 H new ATOM 0 HH TYR A 39 1.272 0.727 -14.618 1.00 0.00 H new ATOM 567 N ILE A 40 1.040 5.061 -6.850 1.00 0.00 N ATOM 568 CA ILE A 40 0.888 6.019 -5.761 1.00 0.00 C ATOM 569 C ILE A 40 1.320 7.416 -6.194 1.00 0.00 C ATOM 570 O ILE A 40 2.511 7.688 -6.345 1.00 0.00 O ATOM 571 CB ILE A 40 1.704 5.600 -4.524 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.141 4.309 -3.927 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.704 6.714 -3.488 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.101 3.606 -2.994 1.00 0.00 C ATOM 0 H ILE A 40 1.891 5.179 -7.400 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.170 6.034 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 40 2.733 5.416 -4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.223 4.539 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.872 3.631 -4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.285 6.403 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.148 7.612 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.680 6.927 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.635 2.699 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.010 3.345 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.351 4.267 -2.164 1.00 0.00 H new ATOM 586 N GLN A 41 0.345 8.298 -6.389 1.00 0.00 N ATOM 587 CA GLN A 41 0.626 9.667 -6.802 1.00 0.00 C ATOM 588 C GLN A 41 0.677 10.600 -5.597 1.00 0.00 C ATOM 589 O GLN A 41 -0.123 10.477 -4.670 1.00 0.00 O ATOM 590 CB GLN A 41 -0.435 10.151 -7.792 1.00 0.00 C ATOM 591 CG GLN A 41 -0.359 11.641 -8.086 1.00 0.00 C ATOM 592 CD GLN A 41 0.655 11.973 -9.163 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.721 11.306 -10.196 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.452 13.008 -8.927 1.00 0.00 N ATOM 0 H GLN A 41 -0.646 8.089 -6.268 1.00 0.00 H new ATOM 0 HA GLN A 41 1.601 9.680 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.327 9.599 -8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.423 9.917 -7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.342 11.997 -8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.100 12.175 -7.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.362 13.533 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.154 13.279 -9.616 1.00 0.00 H new ATOM 603 N ALA A 42 1.623 11.534 -5.617 1.00 0.00 N ATOM 604 CA ALA A 42 1.776 12.489 -4.526 1.00 0.00 C ATOM 605 C ALA A 42 1.040 13.789 -4.828 1.00 0.00 C ATOM 606 O ALA A 42 1.174 14.354 -5.913 1.00 0.00 O ATOM 607 CB ALA A 42 3.251 12.763 -4.269 1.00 0.00 C ATOM 0 H ALA A 42 2.294 11.649 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 42 1.336 12.053 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.351 13.478 -3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.753 11.833 -4.001 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.707 13.175 -5.169 1.00 0.00 H new ATOM 613 N VAL A 43 0.259 14.260 -3.860 1.00 0.00 N ATOM 614 CA VAL A 43 -0.499 15.495 -4.021 1.00 0.00 C ATOM 615 C VAL A 43 -0.150 16.501 -2.930 1.00 0.00 C ATOM 616 O VAL A 43 0.027 16.135 -1.768 1.00 0.00 O ATOM 617 CB VAL A 43 -2.016 15.229 -3.994 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.788 16.539 -4.046 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.418 14.317 -5.143 1.00 0.00 C ATOM 0 H VAL A 43 0.135 13.804 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.227 15.909 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.263 14.726 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.858 16.332 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.521 17.153 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.539 17.072 -4.963 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.493 14.140 -5.108 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.159 14.789 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.891 13.367 -5.055 1.00 0.00 H new ATOM 629 N ASP A 44 -0.053 17.769 -3.313 1.00 0.00 N ATOM 630 CA ASP A 44 0.273 18.830 -2.366 1.00 0.00 C ATOM 631 C ASP A 44 -0.924 19.152 -1.477 1.00 0.00 C ATOM 632 O ASP A 44 -1.981 18.531 -1.591 1.00 0.00 O ATOM 633 CB ASP A 44 0.723 20.087 -3.112 1.00 0.00 C ATOM 634 CG ASP A 44 1.640 20.959 -2.277 1.00 0.00 C ATOM 635 OD1 ASP A 44 2.609 20.420 -1.702 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.389 22.179 -2.196 1.00 0.00 O ATOM 0 H ASP A 44 -0.195 18.088 -4.271 1.00 0.00 H new ATOM 0 HA ASP A 44 1.089 18.481 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.237 19.797 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.153 20.664 -3.407 1.00 0.00 H new ATOM 641 N THR A 45 -0.750 20.127 -0.590 1.00 0.00 N ATOM 642 CA THR A 45 -1.815 20.530 0.320 1.00 0.00 C ATOM 643 C THR A 45 -2.962 21.193 -0.434 1.00 0.00 C ATOM 644 O THR A 45 -4.080 21.284 0.072 1.00 0.00 O ATOM 645 CB THR A 45 -1.295 21.501 1.397 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.773 22.683 0.780 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.214 20.844 2.242 1.00 0.00 C ATOM 0 H THR A 45 0.118 20.652 -0.483 1.00 0.00 H new ATOM 0 HA THR A 45 -2.178 19.623 0.803 1.00 0.00 H new ATOM 0 HB THR A 45 -2.129 21.769 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.446 23.296 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.138 21.549 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.623 19.961 2.734 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.619 20.550 1.603 1.00 0.00 H new ATOM 655 N SER A 46 -2.677 21.654 -1.648 1.00 0.00 N ATOM 656 CA SER A 46 -3.685 22.312 -2.471 1.00 0.00 C ATOM 657 C SER A 46 -4.274 21.339 -3.489 1.00 0.00 C ATOM 658 O SER A 46 -5.490 21.172 -3.574 1.00 0.00 O ATOM 659 CB SER A 46 -3.078 23.517 -3.192 1.00 0.00 C ATOM 660 OG SER A 46 -2.940 24.620 -2.314 1.00 0.00 O ATOM 0 H SER A 46 -1.757 21.584 -2.083 1.00 0.00 H new ATOM 0 HA SER A 46 -4.486 22.655 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.103 23.248 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.710 23.796 -4.035 1.00 0.00 H new ATOM 0 HG SER A 46 -2.548 25.377 -2.798 1.00 0.00 H new ATOM 666 N GLY A 47 -3.400 20.700 -4.261 1.00 0.00 N ATOM 667 CA GLY A 47 -3.851 19.752 -5.264 1.00 0.00 C ATOM 668 C GLY A 47 -3.061 19.852 -6.553 1.00 0.00 C ATOM 669 O GLY A 47 -3.631 19.815 -7.643 1.00 0.00 O ATOM 0 H GLY A 47 -2.389 20.822 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.766 18.740 -4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.907 19.925 -5.474 1.00 0.00 H new ATOM 673 N ASN A 48 -1.744 19.981 -6.430 1.00 0.00 N ATOM 674 CA ASN A 48 -0.874 20.090 -7.595 1.00 0.00 C ATOM 675 C ASN A 48 -0.024 18.833 -7.758 1.00 0.00 C ATOM 676 O ASN A 48 0.987 18.661 -7.077 1.00 0.00 O ATOM 677 CB ASN A 48 0.030 21.318 -7.470 1.00 0.00 C ATOM 678 CG ASN A 48 -0.648 22.463 -6.744 1.00 0.00 C ATOM 679 OD1 ASN A 48 -1.404 23.230 -7.340 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.378 22.585 -5.449 1.00 0.00 N ATOM 0 H ASN A 48 -1.256 20.013 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.503 20.199 -8.478 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.941 21.043 -6.938 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.329 21.648 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.804 23.338 -4.908 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.255 21.926 -4.996 1.00 0.00 H new ATOM 687 N LYS A 49 -0.441 17.958 -8.667 1.00 0.00 N ATOM 688 CA LYS A 49 0.282 16.717 -8.923 1.00 0.00 C ATOM 689 C LYS A 49 1.787 16.928 -8.793 1.00 0.00 C ATOM 690 O LYS A 49 2.347 17.856 -9.377 1.00 0.00 O ATOM 691 CB LYS A 49 -0.052 16.188 -10.319 1.00 0.00 C ATOM 692 CG LYS A 49 -1.307 15.334 -10.362 1.00 0.00 C ATOM 693 CD LYS A 49 -1.716 15.015 -11.791 1.00 0.00 C ATOM 694 CE LYS A 49 -2.851 14.003 -11.833 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.058 13.459 -13.204 1.00 0.00 N ATOM 0 H LYS A 49 -1.276 18.085 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.029 15.983 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.173 17.032 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.790 15.601 -10.687 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.136 14.406 -9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.120 15.855 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.025 15.931 -12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.858 14.624 -12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.634 13.185 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.771 14.474 -11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.840 12.773 -13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.290 14.236 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.189 12.987 -13.525 1.00 0.00 H new ATOM 709 N PHE A 50 2.437 16.059 -8.026 1.00 0.00 N ATOM 710 CA PHE A 50 3.878 16.150 -7.821 1.00 0.00 C ATOM 711 C PHE A 50 4.635 15.689 -9.063 1.00 0.00 C ATOM 712 O PHE A 50 5.463 16.420 -9.607 1.00 0.00 O ATOM 713 CB PHE A 50 4.297 15.307 -6.614 1.00 0.00 C ATOM 714 CG PHE A 50 4.327 16.079 -5.326 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.151 16.515 -4.736 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.531 16.370 -4.705 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.175 17.225 -3.550 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.561 17.079 -3.519 1.00 0.00 C ATOM 719 CZ PHE A 50 4.382 17.508 -2.942 1.00 0.00 C ATOM 0 H PHE A 50 1.989 15.284 -7.536 1.00 0.00 H new ATOM 0 HA PHE A 50 4.127 17.194 -7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.609 14.468 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.285 14.887 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.205 16.297 -5.208 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.456 16.039 -5.153 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.251 17.558 -3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.506 17.297 -3.044 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.404 18.064 -2.016 1.00 0.00 H new ATOM 729 N THR A 51 4.344 14.471 -9.509 1.00 0.00 N ATOM 730 CA THR A 51 4.996 13.911 -10.685 1.00 0.00 C ATOM 731 C THR A 51 6.503 14.136 -10.638 1.00 0.00 C ATOM 732 O THR A 51 7.160 14.226 -11.675 1.00 0.00 O ATOM 733 CB THR A 51 4.438 14.525 -11.983 1.00 0.00 C ATOM 734 OG1 THR A 51 4.439 15.953 -11.890 1.00 0.00 O ATOM 735 CG2 THR A 51 3.024 14.030 -12.250 1.00 0.00 C ATOM 0 H THR A 51 3.660 13.853 -9.072 1.00 0.00 H new ATOM 0 HA THR A 51 4.790 12.841 -10.680 1.00 0.00 H new ATOM 0 HB THR A 51 5.077 14.216 -12.810 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.130 16.239 -11.257 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.650 14.476 -13.171 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.031 12.945 -12.350 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.376 14.314 -11.420 1.00 0.00 H new ATOM 743 N SER A 52 7.046 14.226 -9.427 1.00 0.00 N ATOM 744 CA SER A 52 8.476 14.444 -9.245 1.00 0.00 C ATOM 745 C SER A 52 9.094 13.325 -8.413 1.00 0.00 C ATOM 746 O SER A 52 8.397 12.420 -7.954 1.00 0.00 O ATOM 747 CB SER A 52 8.725 15.794 -8.570 1.00 0.00 C ATOM 748 OG SER A 52 10.047 16.247 -8.809 1.00 0.00 O ATOM 0 H SER A 52 6.517 14.151 -8.558 1.00 0.00 H new ATOM 0 HA SER A 52 8.947 14.445 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.012 16.529 -8.945 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.556 15.704 -7.497 1.00 0.00 H new ATOM 0 HG SER A 52 10.181 17.112 -8.369 1.00 0.00 H new ATOM 754 N SER A 53 10.408 13.393 -8.223 1.00 0.00 N ATOM 755 CA SER A 53 11.123 12.384 -7.450 1.00 0.00 C ATOM 756 C SER A 53 11.401 12.881 -6.035 1.00 0.00 C ATOM 757 O SER A 53 12.337 13.642 -5.790 1.00 0.00 O ATOM 758 CB SER A 53 12.437 12.017 -8.142 1.00 0.00 C ATOM 759 OG SER A 53 13.260 13.159 -8.312 1.00 0.00 O ATOM 0 H SER A 53 10.999 14.137 -8.594 1.00 0.00 H new ATOM 0 HA SER A 53 10.494 11.496 -7.388 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.966 11.268 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.227 11.568 -9.113 1.00 0.00 H new ATOM 0 HG SER A 53 13.221 13.713 -7.505 1.00 0.00 H new ATOM 765 N PRO A 54 10.569 12.441 -5.080 1.00 0.00 N ATOM 766 CA PRO A 54 10.705 12.827 -3.672 1.00 0.00 C ATOM 767 C PRO A 54 11.937 12.212 -3.018 1.00 0.00 C ATOM 768 O PRO A 54 12.666 12.884 -2.290 1.00 0.00 O ATOM 769 CB PRO A 54 9.429 12.278 -3.029 1.00 0.00 C ATOM 770 CG PRO A 54 9.019 11.146 -3.907 1.00 0.00 C ATOM 771 CD PRO A 54 9.432 11.532 -5.300 1.00 0.00 C ATOM 0 HA PRO A 54 10.829 13.904 -3.555 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.613 11.941 -2.009 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.652 13.041 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.502 10.219 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.943 10.979 -3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.722 10.662 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.622 12.025 -5.837 1.00 0.00 H new ATOM 779 N GLY A 55 12.165 10.929 -3.285 1.00 0.00 N ATOM 780 CA GLY A 55 13.312 10.245 -2.715 1.00 0.00 C ATOM 781 C GLY A 55 13.373 8.785 -3.115 1.00 0.00 C ATOM 782 O GLY A 55 12.985 8.422 -4.225 1.00 0.00 O ATOM 0 H GLY A 55 11.576 10.352 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.226 10.745 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.273 10.320 -1.628 1.00 0.00 H new ATOM 786 N GLU A 56 13.863 7.945 -2.208 1.00 0.00 N ATOM 787 CA GLU A 56 13.976 6.515 -2.475 1.00 0.00 C ATOM 788 C GLU A 56 12.844 5.745 -1.801 1.00 0.00 C ATOM 789 O GLU A 56 12.062 5.062 -2.463 1.00 0.00 O ATOM 790 CB GLU A 56 15.327 5.988 -1.987 1.00 0.00 C ATOM 791 CG GLU A 56 15.718 4.655 -2.601 1.00 0.00 C ATOM 792 CD GLU A 56 17.209 4.390 -2.521 1.00 0.00 C ATOM 793 OE1 GLU A 56 17.787 4.576 -1.430 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.797 3.997 -3.550 1.00 0.00 O ATOM 0 H GLU A 56 14.187 8.229 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 56 13.903 6.365 -3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.098 6.724 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.297 5.884 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.183 3.854 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.405 4.634 -3.645 1.00 0.00 H new ATOM 801 N LYS A 57 12.763 5.860 -0.480 1.00 0.00 N ATOM 802 CA LYS A 57 11.727 5.176 0.286 1.00 0.00 C ATOM 803 C LYS A 57 10.926 6.168 1.124 1.00 0.00 C ATOM 804 O LYS A 57 11.291 6.472 2.260 1.00 0.00 O ATOM 805 CB LYS A 57 12.352 4.113 1.192 1.00 0.00 C ATOM 806 CG LYS A 57 12.871 2.901 0.438 1.00 0.00 C ATOM 807 CD LYS A 57 11.734 2.027 -0.064 1.00 0.00 C ATOM 808 CE LYS A 57 12.180 1.139 -1.215 1.00 0.00 C ATOM 809 NZ LYS A 57 13.242 0.182 -0.798 1.00 0.00 N ATOM 0 H LYS A 57 13.403 6.421 0.083 1.00 0.00 H new ATOM 0 HA LYS A 57 11.049 4.692 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.173 4.561 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.610 3.787 1.921 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.479 3.229 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.520 2.316 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.362 1.407 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.906 2.657 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.323 0.586 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.551 1.760 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.495 -0.428 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.082 0.710 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.892 -0.405 -0.014 1.00 0.00 H new ATOM 823 N VAL A 58 9.833 6.668 0.558 1.00 0.00 N ATOM 824 CA VAL A 58 8.979 7.623 1.255 1.00 0.00 C ATOM 825 C VAL A 58 7.626 7.007 1.591 1.00 0.00 C ATOM 826 O VAL A 58 7.134 7.137 2.712 1.00 0.00 O ATOM 827 CB VAL A 58 8.757 8.894 0.415 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.063 9.655 0.242 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.153 8.541 -0.936 1.00 0.00 C ATOM 0 H VAL A 58 9.517 6.428 -0.382 1.00 0.00 H new ATOM 0 HA VAL A 58 9.492 7.891 2.178 1.00 0.00 H new ATOM 0 HB VAL A 58 8.055 9.540 0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.886 10.550 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.450 9.941 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.790 9.020 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.003 9.451 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.828 7.875 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.195 8.043 -0.787 1.00 0.00 H new ATOM 839 N PHE A 59 7.029 6.334 0.613 1.00 0.00 N ATOM 840 CA PHE A 59 5.731 5.697 0.805 1.00 0.00 C ATOM 841 C PHE A 59 5.897 4.230 1.190 1.00 0.00 C ATOM 842 O PHE A 59 6.742 3.526 0.639 1.00 0.00 O ATOM 843 CB PHE A 59 4.890 5.811 -0.468 1.00 0.00 C ATOM 844 CG PHE A 59 4.184 7.129 -0.605 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.349 7.590 0.400 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.354 7.907 -1.739 1.00 0.00 C ATOM 847 CE1 PHE A 59 2.698 8.804 0.278 1.00 0.00 C ATOM 848 CE2 PHE A 59 3.706 9.121 -1.867 1.00 0.00 C ATOM 849 CZ PHE A 59 2.876 9.569 -0.858 1.00 0.00 C ATOM 0 H PHE A 59 7.423 6.216 -0.320 1.00 0.00 H new ATOM 0 HA PHE A 59 5.218 6.211 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.535 5.662 -1.334 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.151 5.010 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.205 6.994 1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.000 7.561 -2.532 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.052 9.153 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.848 9.719 -2.755 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.367 10.516 -0.957 1.00 0.00 H new ATOM 859 N GLN A 60 5.083 3.778 2.139 1.00 0.00 N ATOM 860 CA GLN A 60 5.140 2.395 2.598 1.00 0.00 C ATOM 861 C GLN A 60 3.765 1.741 2.528 1.00 0.00 C ATOM 862 O GLN A 60 2.745 2.388 2.767 1.00 0.00 O ATOM 863 CB GLN A 60 5.675 2.333 4.030 1.00 0.00 C ATOM 864 CG GLN A 60 5.874 0.916 4.544 1.00 0.00 C ATOM 865 CD GLN A 60 6.867 0.844 5.687 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.472 1.849 6.064 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.041 -0.347 6.247 1.00 0.00 N ATOM 0 H GLN A 60 4.377 4.349 2.604 1.00 0.00 H new ATOM 0 HA GLN A 60 5.816 1.848 1.941 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.625 2.865 4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.984 2.856 4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.916 0.516 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.219 0.282 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.519 -1.153 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.696 -0.456 7.021 1.00 0.00 H new ATOM 876 N VAL A 61 3.743 0.453 2.198 1.00 0.00 N ATOM 877 CA VAL A 61 2.493 -0.289 2.096 1.00 0.00 C ATOM 878 C VAL A 61 2.552 -1.579 2.907 1.00 0.00 C ATOM 879 O VAL A 61 3.456 -2.396 2.729 1.00 0.00 O ATOM 880 CB VAL A 61 2.160 -0.631 0.632 1.00 0.00 C ATOM 881 CG1 VAL A 61 0.829 -1.362 0.543 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.143 0.630 -0.219 1.00 0.00 C ATOM 0 H VAL A 61 4.578 -0.098 1.997 1.00 0.00 H new ATOM 0 HA VAL A 61 1.710 0.354 2.498 1.00 0.00 H new ATOM 0 HB VAL A 61 2.936 -1.292 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.611 -1.595 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.882 -2.286 1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.039 -0.729 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.906 0.370 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.389 1.317 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.122 1.108 -0.181 1.00 0.00 H new ATOM 892 N LYS A 62 1.583 -1.757 3.798 1.00 0.00 N ATOM 893 CA LYS A 62 1.522 -2.948 4.636 1.00 0.00 C ATOM 894 C LYS A 62 0.373 -3.856 4.210 1.00 0.00 C ATOM 895 O LYS A 62 -0.661 -3.384 3.736 1.00 0.00 O ATOM 896 CB LYS A 62 1.358 -2.555 6.106 1.00 0.00 C ATOM 897 CG LYS A 62 1.282 -3.743 7.049 1.00 0.00 C ATOM 898 CD LYS A 62 2.666 -4.206 7.475 1.00 0.00 C ATOM 899 CE LYS A 62 3.190 -3.390 8.646 1.00 0.00 C ATOM 900 NZ LYS A 62 4.564 -3.806 9.042 1.00 0.00 N ATOM 0 H LYS A 62 0.828 -1.090 3.958 1.00 0.00 H new ATOM 0 HA LYS A 62 2.457 -3.495 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.195 -1.922 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.453 -1.957 6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.700 -3.473 7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.757 -4.564 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.629 -5.260 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.354 -4.121 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.193 -2.333 8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.517 -3.502 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.885 -3.226 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.557 -4.808 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.211 -3.675 8.239 1.00 0.00 H new ATOM 914 N VAL A 63 0.559 -5.160 4.383 1.00 0.00 N ATOM 915 CA VAL A 63 -0.464 -6.133 4.018 1.00 0.00 C ATOM 916 C VAL A 63 -0.773 -7.068 5.183 1.00 0.00 C ATOM 917 O VAL A 63 0.119 -7.724 5.720 1.00 0.00 O ATOM 918 CB VAL A 63 -0.031 -6.973 2.802 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.108 -7.985 2.441 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.283 -6.072 1.617 1.00 0.00 C ATOM 0 H VAL A 63 1.409 -5.568 4.774 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.360 -5.569 3.760 1.00 0.00 H new ATOM 0 HB VAL A 63 0.875 -7.520 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.784 -8.569 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.280 -8.651 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.032 -7.461 2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.587 -6.682 0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.604 -5.497 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.091 -5.390 1.882 1.00 0.00 H new ATOM 930 N SER A 64 -2.044 -7.123 5.568 1.00 0.00 N ATOM 931 CA SER A 64 -2.472 -7.975 6.672 1.00 0.00 C ATOM 932 C SER A 64 -3.753 -8.723 6.316 1.00 0.00 C ATOM 933 O SER A 64 -4.521 -8.288 5.459 1.00 0.00 O ATOM 934 CB SER A 64 -2.690 -7.138 7.934 1.00 0.00 C ATOM 935 OG SER A 64 -3.875 -6.367 7.836 1.00 0.00 O ATOM 0 H SER A 64 -2.795 -6.588 5.132 1.00 0.00 H new ATOM 0 HA SER A 64 -1.686 -8.706 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.750 -7.793 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.836 -6.479 8.089 1.00 0.00 H new ATOM 0 HG SER A 64 -3.993 -5.842 8.655 1.00 0.00 H new ATOM 941 N ALA A 65 -3.975 -9.852 6.981 1.00 0.00 N ATOM 942 CA ALA A 65 -5.163 -10.661 6.737 1.00 0.00 C ATOM 943 C ALA A 65 -6.139 -10.569 7.905 1.00 0.00 C ATOM 944 O ALA A 65 -5.747 -10.538 9.072 1.00 0.00 O ATOM 945 CB ALA A 65 -4.773 -12.110 6.486 1.00 0.00 C ATOM 0 H ALA A 65 -3.348 -10.227 7.693 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.661 -10.271 5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.670 -12.702 6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.120 -12.165 5.615 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.249 -12.502 7.358 1.00 0.00 H new ATOM 951 N PRO A 66 -7.441 -10.523 7.587 1.00 0.00 N ATOM 952 CA PRO A 66 -8.500 -10.433 8.597 1.00 0.00 C ATOM 953 C PRO A 66 -8.642 -11.720 9.403 1.00 0.00 C ATOM 954 O PRO A 66 -8.652 -11.693 10.634 1.00 0.00 O ATOM 955 CB PRO A 66 -9.761 -10.181 7.767 1.00 0.00 C ATOM 956 CG PRO A 66 -9.455 -10.757 6.428 1.00 0.00 C ATOM 957 CD PRO A 66 -7.980 -10.555 6.217 1.00 0.00 C ATOM 0 HA PRO A 66 -8.296 -9.656 9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.632 -10.660 8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.983 -9.116 7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.713 -11.815 6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.032 -10.260 5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.543 -11.364 5.632 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -7.774 -9.628 5.682 1.00 0.00 H new ATOM 965 N GLU A 67 -8.751 -12.844 8.702 1.00 0.00 N ATOM 966 CA GLU A 67 -8.893 -14.140 9.355 1.00 0.00 C ATOM 967 C GLU A 67 -7.539 -14.661 9.829 1.00 0.00 C ATOM 968 O GLU A 67 -7.330 -14.879 11.021 1.00 0.00 O ATOM 969 CB GLU A 67 -9.534 -15.149 8.400 1.00 0.00 C ATOM 970 CG GLU A 67 -10.911 -14.733 7.909 1.00 0.00 C ATOM 971 CD GLU A 67 -11.969 -14.830 8.991 1.00 0.00 C ATOM 972 OE1 GLU A 67 -11.927 -15.800 9.776 1.00 0.00 O ATOM 973 OE2 GLU A 67 -12.840 -13.937 9.052 1.00 0.00 O ATOM 0 H GLU A 67 -8.744 -12.883 7.683 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.538 -14.012 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.879 -15.290 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.613 -16.113 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.867 -13.708 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.198 -15.363 7.067 1.00 0.00 H new ATOM 980 N GLU A 68 -6.624 -14.859 8.885 1.00 0.00 N ATOM 981 CA GLU A 68 -5.291 -15.356 9.206 1.00 0.00 C ATOM 982 C GLU A 68 -4.508 -14.328 10.018 1.00 0.00 C ATOM 983 O GLU A 68 -3.912 -13.407 9.460 1.00 0.00 O ATOM 984 CB GLU A 68 -4.528 -15.699 7.925 1.00 0.00 C ATOM 985 CG GLU A 68 -3.397 -16.691 8.138 1.00 0.00 C ATOM 986 CD GLU A 68 -3.882 -18.126 8.197 1.00 0.00 C ATOM 987 OE1 GLU A 68 -4.578 -18.477 9.173 1.00 0.00 O ATOM 988 OE2 GLU A 68 -3.567 -18.898 7.268 1.00 0.00 O ATOM 0 H GLU A 68 -6.781 -14.683 7.893 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.403 -16.259 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.226 -16.108 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.121 -14.782 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.673 -16.589 7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.877 -16.449 9.065 1.00 0.00 H new ATOM 995 N GLN A 69 -4.516 -14.493 11.336 1.00 0.00 N ATOM 996 CA GLN A 69 -3.808 -13.579 12.225 1.00 0.00 C ATOM 997 C GLN A 69 -2.421 -13.254 11.679 1.00 0.00 C ATOM 998 O GLN A 69 -1.998 -12.098 11.679 1.00 0.00 O ATOM 999 CB GLN A 69 -3.689 -14.184 13.624 1.00 0.00 C ATOM 1000 CG GLN A 69 -2.962 -15.518 13.651 1.00 0.00 C ATOM 1001 CD GLN A 69 -3.441 -16.423 14.769 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -4.246 -16.018 15.608 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -2.947 -17.655 14.787 1.00 0.00 N ATOM 0 H GLN A 69 -5.005 -15.251 11.813 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.381 -12.654 12.285 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.165 -13.481 14.271 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.688 -14.316 14.040 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.102 -16.023 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.892 -15.342 13.765 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.282 -17.948 14.071 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.233 -18.308 15.516 1.00 0.00 H new ATOM 1012 N PHE A 70 -1.718 -14.282 11.214 1.00 0.00 N ATOM 1013 CA PHE A 70 -0.378 -14.107 10.667 1.00 0.00 C ATOM 1014 C PHE A 70 -0.385 -14.269 9.149 1.00 0.00 C ATOM 1015 O PHE A 70 -1.191 -15.018 8.597 1.00 0.00 O ATOM 1016 CB PHE A 70 0.588 -15.114 11.294 1.00 0.00 C ATOM 1017 CG PHE A 70 0.410 -16.514 10.781 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.829 -16.857 9.506 1.00 0.00 C ATOM 1019 CD2 PHE A 70 -0.174 -17.488 11.575 1.00 0.00 C ATOM 1020 CE1 PHE A 70 0.666 -18.145 9.031 1.00 0.00 C ATOM 1021 CE2 PHE A 70 -0.339 -18.777 11.106 1.00 0.00 C ATOM 1022 CZ PHE A 70 0.082 -19.107 9.833 1.00 0.00 C ATOM 0 H PHE A 70 -2.055 -15.245 11.205 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.044 -13.097 10.906 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.611 -14.792 11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.451 -15.112 12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.288 -16.110 8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.504 -17.237 12.572 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.995 -18.399 8.034 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.797 -19.526 11.735 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.045 -20.114 9.465 1.00 0.00 H new ATOM 1032 N THR A 71 0.519 -13.560 8.480 1.00 0.00 N ATOM 1033 CA THR A 71 0.617 -13.623 7.028 1.00 0.00 C ATOM 1034 C THR A 71 2.020 -13.259 6.555 1.00 0.00 C ATOM 1035 O THR A 71 2.701 -12.441 7.174 1.00 0.00 O ATOM 1036 CB THR A 71 -0.400 -12.681 6.355 1.00 0.00 C ATOM 1037 OG1 THR A 71 -0.398 -12.890 4.938 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.073 -11.227 6.658 1.00 0.00 C ATOM 0 H THR A 71 1.194 -12.935 8.921 1.00 0.00 H new ATOM 0 HA THR A 71 0.395 -14.651 6.741 1.00 0.00 H new ATOM 0 HB THR A 71 -1.389 -12.905 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.048 -12.289 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.804 -10.581 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.103 -11.064 7.735 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.923 -10.993 6.284 1.00 0.00 H new ATOM 1046 N ARG A 72 2.445 -13.871 5.455 1.00 0.00 N ATOM 1047 CA ARG A 72 3.768 -13.611 4.899 1.00 0.00 C ATOM 1048 C ARG A 72 3.662 -12.953 3.526 1.00 0.00 C ATOM 1049 O ARG A 72 3.085 -13.520 2.598 1.00 0.00 O ATOM 1050 CB ARG A 72 4.565 -14.913 4.793 1.00 0.00 C ATOM 1051 CG ARG A 72 6.013 -14.709 4.380 1.00 0.00 C ATOM 1052 CD ARG A 72 6.812 -14.020 5.475 1.00 0.00 C ATOM 1053 NE ARG A 72 8.252 -14.129 5.253 1.00 0.00 N ATOM 1054 CZ ARG A 72 9.141 -13.293 5.777 1.00 0.00 C ATOM 1055 NH1 ARG A 72 8.741 -12.292 6.550 1.00 0.00 N ATOM 1056 NH2 ARG A 72 10.434 -13.457 5.529 1.00 0.00 N ATOM 0 H ARG A 72 1.893 -14.550 4.931 1.00 0.00 H new ATOM 0 HA ARG A 72 4.289 -12.928 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.539 -15.424 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.079 -15.569 4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.466 -15.673 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.052 -14.112 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.531 -12.968 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.560 -14.460 6.440 1.00 0.00 H new ATOM 0 HE ARG A 72 8.593 -14.888 4.664 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.748 -12.163 6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.426 -11.652 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.746 -14.226 4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.116 -12.814 5.932 1.00 0.00 H new ATOM 1070 N VAL A 73 4.222 -11.754 3.406 1.00 0.00 N ATOM 1071 CA VAL A 73 4.192 -11.019 2.147 1.00 0.00 C ATOM 1072 C VAL A 73 5.421 -10.130 1.999 1.00 0.00 C ATOM 1073 O VAL A 73 5.838 -9.466 2.947 1.00 0.00 O ATOM 1074 CB VAL A 73 2.926 -10.148 2.036 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.933 -9.357 0.737 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.676 -11.010 2.138 1.00 0.00 C ATOM 0 H VAL A 73 4.702 -11.271 4.165 1.00 0.00 H new ATOM 0 HA VAL A 73 4.186 -11.761 1.348 1.00 0.00 H new ATOM 0 HB VAL A 73 2.920 -9.439 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.031 -8.748 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.810 -8.710 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.963 -10.045 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.791 -10.379 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.673 -11.743 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.667 -11.526 3.098 1.00 0.00 H new ATOM 1086 N GLY A 74 5.999 -10.122 0.801 1.00 0.00 N ATOM 1087 CA GLY A 74 7.175 -9.311 0.550 1.00 0.00 C ATOM 1088 C GLY A 74 6.866 -8.083 -0.282 1.00 0.00 C ATOM 1089 O GLY A 74 7.080 -8.076 -1.495 1.00 0.00 O ATOM 0 H GLY A 74 5.673 -10.663 0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.609 -9.002 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.925 -9.913 0.038 1.00 0.00 H new ATOM 1093 N VAL A 75 6.359 -7.040 0.368 1.00 0.00 N ATOM 1094 CA VAL A 75 6.019 -5.801 -0.320 1.00 0.00 C ATOM 1095 C VAL A 75 7.238 -4.896 -0.457 1.00 0.00 C ATOM 1096 O VAL A 75 7.957 -4.657 0.513 1.00 0.00 O ATOM 1097 CB VAL A 75 4.905 -5.036 0.419 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.604 -3.721 -0.283 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.652 -5.892 0.527 1.00 0.00 C ATOM 0 H VAL A 75 6.175 -7.029 1.371 1.00 0.00 H new ATOM 0 HA VAL A 75 5.663 -6.078 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 75 5.251 -4.810 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.815 -3.195 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.503 -3.105 -0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.279 -3.920 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.875 -5.336 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.301 -6.151 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.881 -6.804 1.079 1.00 0.00 H new ATOM 1109 N GLN A 76 7.464 -4.395 -1.667 1.00 0.00 N ATOM 1110 CA GLN A 76 8.597 -3.516 -1.930 1.00 0.00 C ATOM 1111 C GLN A 76 8.206 -2.397 -2.890 1.00 0.00 C ATOM 1112 O GLN A 76 7.529 -2.631 -3.891 1.00 0.00 O ATOM 1113 CB GLN A 76 9.766 -4.314 -2.509 1.00 0.00 C ATOM 1114 CG GLN A 76 11.035 -3.496 -2.682 1.00 0.00 C ATOM 1115 CD GLN A 76 12.278 -4.359 -2.771 1.00 0.00 C ATOM 1116 OE1 GLN A 76 12.209 -5.583 -2.650 1.00 0.00 O ATOM 1117 NE2 GLN A 76 13.425 -3.725 -2.984 1.00 0.00 N ATOM 0 H GLN A 76 6.878 -4.583 -2.480 1.00 0.00 H new ATOM 0 HA GLN A 76 8.904 -3.069 -0.985 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.976 -5.161 -1.856 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.472 -4.723 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.952 -2.891 -3.585 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.135 -2.806 -1.844 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.437 -2.709 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.295 -4.254 -3.053 1.00 0.00 H new ATOM 1126 N VAL A 77 8.636 -1.178 -2.577 1.00 0.00 N ATOM 1127 CA VAL A 77 8.332 -0.022 -3.412 1.00 0.00 C ATOM 1128 C VAL A 77 9.371 0.149 -4.514 1.00 0.00 C ATOM 1129 O VAL A 77 10.537 0.441 -4.244 1.00 0.00 O ATOM 1130 CB VAL A 77 8.266 1.271 -2.578 1.00 0.00 C ATOM 1131 CG1 VAL A 77 7.982 2.469 -3.471 1.00 0.00 C ATOM 1132 CG2 VAL A 77 7.214 1.148 -1.487 1.00 0.00 C ATOM 0 H VAL A 77 9.196 -0.966 -1.751 1.00 0.00 H new ATOM 0 HA VAL A 77 7.356 -0.205 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 77 9.234 1.425 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.939 3.373 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.775 2.567 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.028 2.327 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.181 2.071 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.239 0.969 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.467 0.316 -0.830 1.00 0.00 H new ATOM 1142 N LEU A 78 8.942 -0.034 -5.758 1.00 0.00 N ATOM 1143 CA LEU A 78 9.836 0.100 -6.903 1.00 0.00 C ATOM 1144 C LEU A 78 9.514 1.360 -7.700 1.00 0.00 C ATOM 1145 O LEU A 78 8.353 1.632 -8.008 1.00 0.00 O ATOM 1146 CB LEU A 78 9.729 -1.130 -7.806 1.00 0.00 C ATOM 1147 CG LEU A 78 10.977 -1.478 -8.617 1.00 0.00 C ATOM 1148 CD1 LEU A 78 11.165 -0.490 -9.758 1.00 0.00 C ATOM 1149 CD2 LEU A 78 12.206 -1.501 -7.721 1.00 0.00 C ATOM 0 H LEU A 78 7.981 -0.276 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 78 10.857 0.180 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.471 -1.989 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.901 -0.977 -8.498 1.00 0.00 H new ATOM 0 HG LEU A 78 10.844 -2.472 -9.043 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.058 -0.754 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.296 -0.523 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.276 0.516 -9.354 1.00 0.00 H new ATOM 0 HD21 LEU A 78 13.085 -1.750 -8.315 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.342 -0.520 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.072 -2.249 -6.939 1.00 0.00 H new ATOM 1161 N ASP A 79 10.548 2.124 -8.033 1.00 0.00 N ATOM 1162 CA ASP A 79 10.376 3.354 -8.798 1.00 0.00 C ATOM 1163 C ASP A 79 10.564 3.097 -10.290 1.00 0.00 C ATOM 1164 O ASP A 79 11.691 3.037 -10.782 1.00 0.00 O ATOM 1165 CB ASP A 79 11.366 4.418 -8.322 1.00 0.00 C ATOM 1166 CG ASP A 79 12.793 3.906 -8.285 1.00 0.00 C ATOM 1167 OD1 ASP A 79 13.165 3.261 -7.283 1.00 0.00 O ATOM 1168 OD2 ASP A 79 13.537 4.153 -9.257 1.00 0.00 O ATOM 0 H ASP A 79 11.515 1.913 -7.785 1.00 0.00 H new ATOM 0 HA ASP A 79 9.360 3.715 -8.635 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.311 5.283 -8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.079 4.758 -7.327 1.00 0.00 H new ATOM 1173 N ARG A 80 9.454 2.944 -11.004 1.00 0.00 N ATOM 1174 CA ARG A 80 9.497 2.692 -12.439 1.00 0.00 C ATOM 1175 C ARG A 80 9.342 3.990 -13.224 1.00 0.00 C ATOM 1176 O ARG A 80 9.963 4.173 -14.272 1.00 0.00 O ATOM 1177 CB ARG A 80 8.395 1.708 -12.838 1.00 0.00 C ATOM 1178 CG ARG A 80 7.015 2.104 -12.341 1.00 0.00 C ATOM 1179 CD ARG A 80 5.943 1.156 -12.856 1.00 0.00 C ATOM 1180 NE ARG A 80 5.404 1.587 -14.142 1.00 0.00 N ATOM 1181 CZ ARG A 80 4.659 0.812 -14.924 1.00 0.00 C ATOM 1182 NH1 ARG A 80 4.367 -0.426 -14.550 1.00 0.00 N ATOM 1183 NH2 ARG A 80 4.204 1.276 -16.081 1.00 0.00 N ATOM 0 H ARG A 80 8.513 2.990 -10.612 1.00 0.00 H new ATOM 0 HA ARG A 80 10.468 2.257 -12.677 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.370 1.625 -13.925 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.643 0.721 -12.448 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.007 2.106 -11.251 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.789 3.120 -12.664 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.362 0.155 -12.956 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.135 1.092 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 80 5.610 2.535 -14.458 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.714 -0.785 -13.661 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.795 -1.019 -15.151 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.426 2.228 -16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.632 0.680 -16.680 1.00 0.00 H new ATOM 1197 N LYS A 81 8.510 4.890 -12.712 1.00 0.00 N ATOM 1198 CA LYS A 81 8.273 6.173 -13.364 1.00 0.00 C ATOM 1199 C LYS A 81 9.011 7.295 -12.640 1.00 0.00 C ATOM 1200 O LYS A 81 9.152 7.271 -11.417 1.00 0.00 O ATOM 1201 CB LYS A 81 6.774 6.478 -13.406 1.00 0.00 C ATOM 1202 CG LYS A 81 6.457 7.921 -13.757 1.00 0.00 C ATOM 1203 CD LYS A 81 6.582 8.173 -15.250 1.00 0.00 C ATOM 1204 CE LYS A 81 5.301 7.810 -15.986 1.00 0.00 C ATOM 1205 NZ LYS A 81 5.427 8.019 -17.455 1.00 0.00 N ATOM 0 H LYS A 81 7.988 4.755 -11.846 1.00 0.00 H new ATOM 0 HA LYS A 81 8.653 6.110 -14.384 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.299 5.822 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.337 6.244 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.445 8.162 -13.430 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.133 8.584 -13.217 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.818 9.223 -15.424 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.411 7.589 -15.650 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.051 6.768 -15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.478 8.414 -15.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.534 7.760 -17.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.640 9.019 -17.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.195 7.424 -17.826 1.00 0.00 H new ATOM 1219 N ASP A 82 9.477 8.278 -13.402 1.00 0.00 N ATOM 1220 CA ASP A 82 10.198 9.411 -12.833 1.00 0.00 C ATOM 1221 C ASP A 82 9.229 10.421 -12.224 1.00 0.00 C ATOM 1222 O ASP A 82 9.358 11.626 -12.436 1.00 0.00 O ATOM 1223 CB ASP A 82 11.054 10.089 -13.904 1.00 0.00 C ATOM 1224 CG ASP A 82 12.086 9.151 -14.499 1.00 0.00 C ATOM 1225 OD1 ASP A 82 11.720 8.347 -15.381 1.00 0.00 O ATOM 1226 OD2 ASP A 82 13.261 9.223 -14.082 1.00 0.00 O ATOM 0 H ASP A 82 9.368 8.313 -14.416 1.00 0.00 H new ATOM 0 HA ASP A 82 10.849 9.036 -12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.408 10.464 -14.698 1.00 0.00 H new ATOM 0 HB3 ASP A 82 11.559 10.952 -13.469 1.00 0.00 H new ATOM 1231 N GLY A 83 8.258 9.919 -11.467 1.00 0.00 N ATOM 1232 CA GLY A 83 7.281 10.791 -10.841 1.00 0.00 C ATOM 1233 C GLY A 83 6.247 10.023 -10.041 1.00 0.00 C ATOM 1234 O GLY A 83 5.742 10.515 -9.033 1.00 0.00 O ATOM 0 H GLY A 83 8.131 8.925 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.794 11.495 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.778 11.379 -11.609 1.00 0.00 H new ATOM 1238 N SER A 84 5.931 8.813 -10.493 1.00 0.00 N ATOM 1239 CA SER A 84 4.946 7.978 -9.816 1.00 0.00 C ATOM 1240 C SER A 84 5.597 6.717 -9.256 1.00 0.00 C ATOM 1241 O SER A 84 6.552 6.191 -9.827 1.00 0.00 O ATOM 1242 CB SER A 84 3.819 7.599 -10.779 1.00 0.00 C ATOM 1243 OG SER A 84 2.612 7.349 -10.079 1.00 0.00 O ATOM 0 H SER A 84 6.343 8.390 -11.325 1.00 0.00 H new ATOM 0 HA SER A 84 4.529 8.550 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.666 8.403 -11.499 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.104 6.713 -11.347 1.00 0.00 H new ATOM 0 HG SER A 84 1.907 7.111 -10.717 1.00 0.00 H new ATOM 1249 N PHE A 85 5.073 6.237 -8.133 1.00 0.00 N ATOM 1250 CA PHE A 85 5.602 5.039 -7.493 1.00 0.00 C ATOM 1251 C PHE A 85 4.641 3.865 -7.657 1.00 0.00 C ATOM 1252 O PHE A 85 3.423 4.041 -7.648 1.00 0.00 O ATOM 1253 CB PHE A 85 5.858 5.299 -6.007 1.00 0.00 C ATOM 1254 CG PHE A 85 7.194 5.927 -5.730 1.00 0.00 C ATOM 1255 CD1 PHE A 85 8.333 5.146 -5.624 1.00 0.00 C ATOM 1256 CD2 PHE A 85 7.310 7.299 -5.574 1.00 0.00 C ATOM 1257 CE1 PHE A 85 9.564 5.720 -5.369 1.00 0.00 C ATOM 1258 CE2 PHE A 85 8.538 7.879 -5.320 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.666 7.089 -5.216 1.00 0.00 C ATOM 0 H PHE A 85 4.282 6.660 -7.647 1.00 0.00 H new ATOM 0 HA PHE A 85 6.545 4.785 -7.978 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.073 5.948 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.789 4.356 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.258 4.075 -5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.431 7.922 -5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.444 5.100 -5.290 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.616 8.950 -5.203 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.626 7.541 -5.015 1.00 0.00 H new ATOM 1269 N ILE A 86 5.199 2.668 -7.808 1.00 0.00 N ATOM 1270 CA ILE A 86 4.392 1.465 -7.974 1.00 0.00 C ATOM 1271 C ILE A 86 4.798 0.389 -6.973 1.00 0.00 C ATOM 1272 O ILE A 86 5.981 0.087 -6.815 1.00 0.00 O ATOM 1273 CB ILE A 86 4.516 0.897 -9.400 1.00 0.00 C ATOM 1274 CG1 ILE A 86 3.384 -0.094 -9.677 1.00 0.00 C ATOM 1275 CG2 ILE A 86 5.870 0.230 -9.589 1.00 0.00 C ATOM 1276 CD1 ILE A 86 2.122 0.559 -10.195 1.00 0.00 C ATOM 0 H ILE A 86 6.206 2.506 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 86 3.356 1.752 -7.795 1.00 0.00 H new ATOM 0 HB ILE A 86 4.436 1.719 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.727 -0.831 -10.404 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.153 -0.635 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.942 -0.166 -10.602 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.662 0.962 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.978 -0.584 -8.872 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.363 -0.204 -10.369 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.755 1.275 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.337 1.077 -11.130 1.00 0.00 H new ATOM 1288 N VAL A 87 3.808 -0.188 -6.299 1.00 0.00 N ATOM 1289 CA VAL A 87 4.061 -1.234 -5.315 1.00 0.00 C ATOM 1290 C VAL A 87 4.165 -2.602 -5.981 1.00 0.00 C ATOM 1291 O VAL A 87 3.352 -2.949 -6.838 1.00 0.00 O ATOM 1292 CB VAL A 87 2.954 -1.278 -4.246 1.00 0.00 C ATOM 1293 CG1 VAL A 87 3.221 -2.392 -3.245 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.839 0.066 -3.542 1.00 0.00 C ATOM 0 H VAL A 87 2.823 0.051 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 87 5.010 -0.994 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 87 2.005 -1.486 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.428 -2.407 -2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.248 -3.350 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.179 -2.218 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.052 0.017 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.787 0.307 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.596 0.839 -4.271 1.00 0.00 H new ATOM 1304 N ARG A 88 5.169 -3.374 -5.580 1.00 0.00 N ATOM 1305 CA ARG A 88 5.379 -4.705 -6.138 1.00 0.00 C ATOM 1306 C ARG A 88 5.517 -5.744 -5.029 1.00 0.00 C ATOM 1307 O ARG A 88 6.414 -5.656 -4.190 1.00 0.00 O ATOM 1308 CB ARG A 88 6.628 -4.718 -7.022 1.00 0.00 C ATOM 1309 CG ARG A 88 6.614 -3.658 -8.111 1.00 0.00 C ATOM 1310 CD ARG A 88 5.448 -3.857 -9.067 1.00 0.00 C ATOM 1311 NE ARG A 88 5.746 -3.354 -10.406 1.00 0.00 N ATOM 1312 CZ ARG A 88 6.684 -3.870 -11.192 1.00 0.00 C ATOM 1313 NH1 ARG A 88 7.412 -4.897 -10.776 1.00 0.00 N ATOM 1314 NH2 ARG A 88 6.896 -3.357 -12.398 1.00 0.00 N ATOM 0 H ARG A 88 5.850 -3.101 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 88 4.510 -4.959 -6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.508 -4.572 -6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.726 -5.700 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.549 -2.669 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.551 -3.693 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.203 -4.918 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.567 -3.347 -8.676 1.00 0.00 H new ATOM 0 HE ARG A 88 5.204 -2.564 -10.756 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.252 -5.293 -9.850 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.132 -5.291 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.338 -2.566 -12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.616 -3.753 -13.001 1.00 0.00 H new ATOM 1328 N TYR A 89 4.624 -6.727 -5.032 1.00 0.00 N ATOM 1329 CA TYR A 89 4.643 -7.781 -4.025 1.00 0.00 C ATOM 1330 C TYR A 89 4.016 -9.062 -4.566 1.00 0.00 C ATOM 1331 O TYR A 89 3.260 -9.035 -5.538 1.00 0.00 O ATOM 1332 CB TYR A 89 3.901 -7.328 -2.767 1.00 0.00 C ATOM 1333 CG TYR A 89 2.404 -7.527 -2.843 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.818 -8.714 -2.421 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.574 -6.527 -3.337 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.451 -8.900 -2.489 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.206 -6.704 -3.407 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.351 -7.893 -2.983 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.713 -8.074 -3.051 1.00 0.00 O ATOM 0 H TYR A 89 3.877 -6.816 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 89 5.683 -7.986 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.289 -7.877 -1.909 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.111 -6.273 -2.592 1.00 0.00 H new ATOM 0 HD1 TYR A 89 2.442 -9.505 -2.033 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.006 -5.596 -3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 89 0.013 -9.829 -2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.424 -5.916 -3.792 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.132 -7.269 -3.421 1.00 0.00 H new ATOM 1349 N ARG A 90 4.335 -10.184 -3.928 1.00 0.00 N ATOM 1350 CA ARG A 90 3.804 -11.477 -4.344 1.00 0.00 C ATOM 1351 C ARG A 90 2.929 -12.082 -3.251 1.00 0.00 C ATOM 1352 O ARG A 90 3.003 -11.681 -2.090 1.00 0.00 O ATOM 1353 CB ARG A 90 4.947 -12.435 -4.688 1.00 0.00 C ATOM 1354 CG ARG A 90 4.528 -13.581 -5.594 1.00 0.00 C ATOM 1355 CD ARG A 90 5.702 -14.493 -5.915 1.00 0.00 C ATOM 1356 NE ARG A 90 6.437 -14.045 -7.095 1.00 0.00 N ATOM 1357 CZ ARG A 90 6.080 -14.341 -8.340 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.004 -15.082 -8.566 1.00 0.00 N ATOM 1359 NH2 ARG A 90 6.800 -13.896 -9.361 1.00 0.00 N ATOM 0 H ARG A 90 4.958 -10.224 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 90 3.190 -11.322 -5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.747 -11.874 -5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.358 -12.844 -3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.739 -14.158 -5.112 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.112 -13.182 -6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.377 -14.530 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.339 -15.508 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 90 7.270 -13.473 -6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.448 -15.426 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.732 -15.308 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.629 -13.326 -9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.525 -14.124 -10.317 1.00 0.00 H new ATOM 1373 N MET A 91 2.102 -13.050 -3.631 1.00 0.00 N ATOM 1374 CA MET A 91 1.213 -13.712 -2.682 1.00 0.00 C ATOM 1375 C MET A 91 1.530 -15.201 -2.588 1.00 0.00 C ATOM 1376 O MET A 91 1.666 -15.748 -1.494 1.00 0.00 O ATOM 1377 CB MET A 91 -0.247 -13.514 -3.095 1.00 0.00 C ATOM 1378 CG MET A 91 -1.227 -13.640 -1.940 1.00 0.00 C ATOM 1379 SD MET A 91 -0.911 -12.445 -0.627 1.00 0.00 S ATOM 1380 CE MET A 91 -1.473 -13.361 0.806 1.00 0.00 C ATOM 0 H MET A 91 2.028 -13.394 -4.589 1.00 0.00 H new ATOM 0 HA MET A 91 1.370 -13.263 -1.701 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.357 -12.529 -3.549 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.503 -14.248 -3.859 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.242 -13.504 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.171 -14.648 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.392 -12.734 1.694 1.00 0.00 H new ATOM 0 HE2 MET A 91 -2.513 -13.656 0.664 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.857 -14.251 0.933 1.00 0.00 H new ATOM 1390 N TYR A 92 1.644 -15.851 -3.741 1.00 0.00 N ATOM 1391 CA TYR A 92 1.942 -17.277 -3.789 1.00 0.00 C ATOM 1392 C TYR A 92 1.101 -18.043 -2.772 1.00 0.00 C ATOM 1393 O TYR A 92 1.566 -19.007 -2.165 1.00 0.00 O ATOM 1394 CB TYR A 92 3.429 -17.518 -3.522 1.00 0.00 C ATOM 1395 CG TYR A 92 3.979 -16.699 -2.377 1.00 0.00 C ATOM 1396 CD1 TYR A 92 3.821 -17.115 -1.060 1.00 0.00 C ATOM 1397 CD2 TYR A 92 4.657 -15.509 -2.611 1.00 0.00 C ATOM 1398 CE1 TYR A 92 4.322 -16.369 -0.010 1.00 0.00 C ATOM 1399 CE2 TYR A 92 5.162 -14.757 -1.567 1.00 0.00 C ATOM 1400 CZ TYR A 92 4.992 -15.191 -0.269 1.00 0.00 C ATOM 1401 OH TYR A 92 5.492 -14.445 0.773 1.00 0.00 O ATOM 0 H TYR A 92 1.534 -15.412 -4.655 1.00 0.00 H new ATOM 0 HA TYR A 92 1.695 -17.641 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.584 -18.576 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.994 -17.289 -4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.298 -18.037 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.792 -15.166 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 92 4.190 -16.706 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 92 5.687 -13.834 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 92 4.755 -14.150 1.348 1.00 0.00 H new ATOM 1411 N ALA A 93 -0.142 -17.606 -2.593 1.00 0.00 N ATOM 1412 CA ALA A 93 -1.050 -18.251 -1.653 1.00 0.00 C ATOM 1413 C ALA A 93 -2.498 -17.869 -1.939 1.00 0.00 C ATOM 1414 O ALA A 93 -2.817 -16.693 -2.116 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.678 -17.884 -0.223 1.00 0.00 C ATOM 0 H ALA A 93 -0.542 -16.808 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.955 -19.330 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.364 -18.373 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.340 -18.213 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.743 -16.803 -0.096 1.00 0.00 H new ATOM 1421 N SER A 94 -3.372 -18.870 -1.983 1.00 0.00 N ATOM 1422 CA SER A 94 -4.786 -18.638 -2.252 1.00 0.00 C ATOM 1423 C SER A 94 -5.460 -17.953 -1.067 1.00 0.00 C ATOM 1424 O SER A 94 -5.824 -18.601 -0.086 1.00 0.00 O ATOM 1425 CB SER A 94 -5.491 -19.961 -2.560 1.00 0.00 C ATOM 1426 OG SER A 94 -6.857 -19.750 -2.874 1.00 0.00 O ATOM 0 H SER A 94 -3.126 -19.849 -1.836 1.00 0.00 H new ATOM 0 HA SER A 94 -4.863 -17.982 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.995 -20.455 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.411 -20.628 -1.702 1.00 0.00 H new ATOM 0 HG SER A 94 -7.285 -20.610 -3.068 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.622 -16.638 -1.167 1.00 0.00 N ATOM 1433 CA TYR A 95 -6.249 -15.863 -0.103 1.00 0.00 C ATOM 1434 C TYR A 95 -7.641 -15.395 -0.518 1.00 0.00 C ATOM 1435 O TYR A 95 -7.834 -14.886 -1.622 1.00 0.00 O ATOM 1436 CB TYR A 95 -5.380 -14.658 0.259 1.00 0.00 C ATOM 1437 CG TYR A 95 -5.472 -13.524 -0.738 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -4.728 -13.542 -1.911 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -6.305 -12.436 -0.506 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -4.809 -12.508 -2.823 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -6.393 -11.398 -1.414 1.00 0.00 C ATOM 1442 CZ TYR A 95 -5.643 -11.439 -2.571 1.00 0.00 C ATOM 1443 OH TYR A 95 -5.727 -10.407 -3.478 1.00 0.00 O ATOM 0 H TYR A 95 -5.328 -16.087 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.347 -16.507 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.674 -14.291 1.242 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.341 -14.980 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -4.075 -14.378 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.893 -12.401 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.222 -12.536 -3.729 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.045 -10.560 -1.219 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.360 -9.734 -3.150 1.00 0.00 H new ATOM 1453 N LYS A 96 -8.608 -15.571 0.376 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.982 -15.166 0.107 1.00 0.00 C ATOM 1455 C LYS A 96 -10.128 -13.650 0.184 1.00 0.00 C ATOM 1456 O LYS A 96 -10.773 -13.035 -0.664 1.00 0.00 O ATOM 1457 CB LYS A 96 -10.936 -15.833 1.101 1.00 0.00 C ATOM 1458 CG LYS A 96 -11.234 -17.286 0.777 1.00 0.00 C ATOM 1459 CD LYS A 96 -10.188 -18.215 1.370 1.00 0.00 C ATOM 1460 CE LYS A 96 -10.424 -18.444 2.855 1.00 0.00 C ATOM 1461 NZ LYS A 96 -11.453 -19.492 3.098 1.00 0.00 N ATOM 0 H LYS A 96 -8.465 -15.992 1.294 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.238 -15.486 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -10.506 -15.773 2.101 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.872 -15.275 1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.218 -17.551 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.269 -17.419 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.209 -19.170 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.195 -17.790 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.488 -18.737 3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.740 -17.510 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.585 -19.618 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.353 -19.201 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.141 -20.390 2.676 1.00 0.00 H new ATOM 1475 N ASN A 97 -9.523 -13.054 1.207 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.585 -11.609 1.394 1.00 0.00 C ATOM 1477 C ASN A 97 -8.297 -11.086 2.023 1.00 0.00 C ATOM 1478 O ASN A 97 -7.551 -11.837 2.651 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.782 -11.238 2.272 1.00 0.00 C ATOM 1480 CG ASN A 97 -10.984 -12.214 3.416 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -10.042 -12.873 3.858 1.00 0.00 O ATOM 1482 ND2 ASN A 97 -12.216 -12.311 3.900 1.00 0.00 N ATOM 0 H ASN A 97 -8.985 -13.549 1.918 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.704 -11.146 0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.637 -10.235 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.683 -11.209 1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.413 -12.951 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.966 -11.745 3.503 1.00 0.00 H new ATOM 1489 N LEU A 98 -8.043 -9.793 1.849 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.845 -9.169 2.400 1.00 0.00 C ATOM 1491 C LEU A 98 -7.092 -7.695 2.707 1.00 0.00 C ATOM 1492 O LEU A 98 -8.012 -7.082 2.165 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.677 -9.309 1.423 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.814 -10.561 1.584 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.847 -10.696 0.418 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -4.059 -10.522 2.905 1.00 0.00 C ATOM 0 H LEU A 98 -8.650 -9.157 1.331 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.595 -9.679 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.074 -9.294 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.035 -8.434 1.527 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.469 -11.433 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.241 -11.592 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.408 -10.771 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.198 -9.821 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.450 -11.421 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.415 -9.643 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.770 -10.474 3.729 1.00 0.00 H new ATOM 1508 N LYS A 99 -6.263 -7.131 3.579 1.00 0.00 N ATOM 1509 CA LYS A 99 -6.388 -5.728 3.957 1.00 0.00 C ATOM 1510 C LYS A 99 -5.136 -4.947 3.568 1.00 0.00 C ATOM 1511 O LYS A 99 -4.015 -5.389 3.816 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.633 -5.603 5.462 1.00 0.00 C ATOM 1513 CG LYS A 99 -6.729 -4.167 5.946 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.578 -4.075 7.455 1.00 0.00 C ATOM 1515 CE LYS A 99 -7.790 -4.649 8.172 1.00 0.00 C ATOM 1516 NZ LYS A 99 -7.637 -6.105 8.442 1.00 0.00 N ATOM 0 H LYS A 99 -5.497 -7.624 4.037 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.239 -5.308 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.555 -6.125 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.826 -6.104 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.956 -3.568 5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.690 -3.746 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.682 -4.612 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.442 -3.033 7.745 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.940 -4.119 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.682 -4.484 7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.439 -6.621 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.750 -6.445 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.615 -6.267 9.469 1.00 0.00 H new ATOM 1530 N VAL A 100 -5.336 -3.782 2.960 1.00 0.00 N ATOM 1531 CA VAL A 100 -4.224 -2.938 2.540 1.00 0.00 C ATOM 1532 C VAL A 100 -4.136 -1.679 3.395 1.00 0.00 C ATOM 1533 O VAL A 100 -5.149 -1.045 3.689 1.00 0.00 O ATOM 1534 CB VAL A 100 -4.355 -2.532 1.060 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -3.206 -1.623 0.652 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -4.411 -3.766 0.172 1.00 0.00 C ATOM 0 H VAL A 100 -6.258 -3.401 2.747 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.315 -3.525 2.669 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.286 -1.979 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.315 -1.347 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.217 -0.723 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.260 -2.147 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.504 -3.460 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.498 -4.348 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.271 -4.375 0.449 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.918 -1.323 3.791 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.699 -0.139 4.613 1.00 0.00 C ATOM 1548 C GLU A 101 -1.529 0.684 4.080 1.00 0.00 C ATOM 1549 O GLU A 101 -0.422 0.172 3.912 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.434 -0.541 6.065 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.694 -0.644 6.908 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.398 -0.746 8.391 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -3.213 0.309 9.033 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -3.350 -1.881 8.910 1.00 0.00 O ATOM 0 H GLU A 101 -2.069 -1.837 3.556 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.600 0.473 4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.918 -1.501 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.762 0.188 6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.321 0.229 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.266 -1.518 6.595 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.784 1.962 3.817 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.753 2.855 3.304 1.00 0.00 C ATOM 1563 C ILE A 102 -0.460 3.980 4.291 1.00 0.00 C ATOM 1564 O ILE A 102 -1.352 4.742 4.665 1.00 0.00 O ATOM 1565 CB ILE A 102 -1.161 3.468 1.952 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -1.752 2.393 1.038 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.036 4.134 1.289 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -3.238 2.184 1.234 1.00 0.00 C ATOM 0 H ILE A 102 -2.695 2.401 3.951 1.00 0.00 H new ATOM 0 HA ILE A 102 0.145 2.253 3.165 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.923 4.227 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.566 2.668 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.234 1.451 1.216 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.269 4.563 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.417 4.924 1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.818 3.393 1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.589 1.408 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.430 1.879 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.767 3.114 1.027 1.00 0.00 H new ATOM 1580 N LYS A 103 0.797 4.080 4.710 1.00 0.00 N ATOM 1581 CA LYS A 103 1.211 5.114 5.651 1.00 0.00 C ATOM 1582 C LYS A 103 2.464 5.830 5.158 1.00 0.00 C ATOM 1583 O LYS A 103 3.193 5.313 4.310 1.00 0.00 O ATOM 1584 CB LYS A 103 1.470 4.503 7.030 1.00 0.00 C ATOM 1585 CG LYS A 103 0.263 3.791 7.616 1.00 0.00 C ATOM 1586 CD LYS A 103 0.664 2.836 8.728 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.475 2.618 9.713 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.551 3.707 10.725 1.00 0.00 N ATOM 0 H LYS A 103 1.547 3.457 4.412 1.00 0.00 H new ATOM 0 HA LYS A 103 0.404 5.843 5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.297 3.797 6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.784 5.291 7.714 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.442 4.527 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.252 3.239 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.963 1.880 8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.531 3.233 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.418 2.561 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.340 1.662 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -0.499 3.298 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.242 4.365 10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -1.449 4.220 10.616 1.00 0.00 H new ATOM 1602 N PHE A 104 2.710 7.021 5.694 1.00 0.00 N ATOM 1603 CA PHE A 104 3.876 7.807 5.308 1.00 0.00 C ATOM 1604 C PHE A 104 4.388 8.633 6.484 1.00 0.00 C ATOM 1605 O PHE A 104 3.656 9.443 7.052 1.00 0.00 O ATOM 1606 CB PHE A 104 3.531 8.727 4.135 1.00 0.00 C ATOM 1607 CG PHE A 104 4.488 9.873 3.971 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.856 9.668 4.051 1.00 0.00 C ATOM 1609 CD2 PHE A 104 4.020 11.156 3.739 1.00 0.00 C ATOM 1610 CE1 PHE A 104 6.739 10.720 3.900 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.898 12.212 3.587 1.00 0.00 C ATOM 1612 CZ PHE A 104 6.260 11.994 3.669 1.00 0.00 C ATOM 0 H PHE A 104 2.117 7.463 6.397 1.00 0.00 H new ATOM 0 HA PHE A 104 4.663 7.118 5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.517 8.141 3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 104 2.525 9.122 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.237 8.674 4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.956 11.333 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.803 10.546 3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.520 13.207 3.404 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.948 12.818 3.553 1.00 0.00 H new ATOM 1622 N GLN A 105 5.650 8.421 6.844 1.00 0.00 N ATOM 1623 CA GLN A 105 6.260 9.145 7.953 1.00 0.00 C ATOM 1624 C GLN A 105 5.361 9.111 9.185 1.00 0.00 C ATOM 1625 O GLN A 105 5.373 10.033 10.000 1.00 0.00 O ATOM 1626 CB GLN A 105 6.540 10.594 7.551 1.00 0.00 C ATOM 1627 CG GLN A 105 5.287 11.449 7.444 1.00 0.00 C ATOM 1628 CD GLN A 105 5.567 12.923 7.658 1.00 0.00 C ATOM 1629 OE1 GLN A 105 6.168 13.583 6.809 1.00 0.00 O ATOM 1630 NE2 GLN A 105 5.130 13.450 8.796 1.00 0.00 N ATOM 0 H GLN A 105 6.270 7.754 6.384 1.00 0.00 H new ATOM 0 HA GLN A 105 7.202 8.655 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.214 11.041 8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 105 7.059 10.603 6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.838 11.307 6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.557 11.111 8.180 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.636 12.867 9.472 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.288 14.438 8.994 1.00 0.00 H new ATOM 1639 N GLY A 106 4.581 8.042 9.313 1.00 0.00 N ATOM 1640 CA GLY A 106 3.686 7.909 10.448 1.00 0.00 C ATOM 1641 C GLY A 106 2.376 8.643 10.243 1.00 0.00 C ATOM 1642 O GLY A 106 1.950 9.416 11.101 1.00 0.00 O ATOM 0 H GLY A 106 4.553 7.266 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.483 6.853 10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.178 8.293 11.342 1.00 0.00 H new ATOM 1646 N GLN A 107 1.737 8.402 9.102 1.00 0.00 N ATOM 1647 CA GLN A 107 0.469 9.049 8.787 1.00 0.00 C ATOM 1648 C GLN A 107 -0.190 8.393 7.578 1.00 0.00 C ATOM 1649 O GLN A 107 0.463 8.131 6.568 1.00 0.00 O ATOM 1650 CB GLN A 107 0.684 10.539 8.519 1.00 0.00 C ATOM 1651 CG GLN A 107 0.955 10.862 7.059 1.00 0.00 C ATOM 1652 CD GLN A 107 1.682 12.180 6.878 1.00 0.00 C ATOM 1653 OE1 GLN A 107 1.252 13.215 7.387 1.00 0.00 O ATOM 1654 NE2 GLN A 107 2.792 12.149 6.150 1.00 0.00 N ATOM 0 H GLN A 107 2.076 7.764 8.382 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.192 8.934 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.198 11.089 8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.521 10.891 9.122 1.00 0.00 H new ATOM 0 HG2 GLN A 107 1.548 10.061 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 107 0.010 10.895 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.113 11.269 5.746 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.324 13.005 5.994 1.00 0.00 H new ATOM 1663 N HIS A 108 -1.489 8.131 7.688 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.237 7.506 6.602 1.00 0.00 C ATOM 1665 C HIS A 108 -2.318 8.433 5.394 1.00 0.00 C ATOM 1666 O HIS A 108 -2.340 9.656 5.536 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.645 7.137 7.072 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.673 5.997 8.043 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.286 4.792 7.771 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.157 5.882 9.289 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.148 3.986 8.809 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.466 4.624 9.743 1.00 0.00 N ATOM 0 H HIS A 108 -2.045 8.341 8.517 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.711 6.599 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.105 8.010 7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.253 6.880 6.205 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -4.770 4.559 6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -2.605 6.639 9.826 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.528 2.978 8.881 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.360 7.843 4.203 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.439 8.616 2.969 1.00 0.00 C ATOM 1683 C VAL A 109 -3.801 8.453 2.304 1.00 0.00 C ATOM 1684 O VAL A 109 -4.395 9.423 1.836 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.340 8.198 1.974 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.459 8.993 0.683 1.00 0.00 C ATOM 1687 CG2 VAL A 109 0.037 8.377 2.595 1.00 0.00 C ATOM 0 H VAL A 109 -2.341 6.832 4.067 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.294 9.662 3.241 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.471 7.142 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.675 8.684 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.434 8.809 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.354 10.056 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.801 8.077 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.182 9.424 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.116 7.759 3.489 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.290 7.218 2.266 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.583 6.927 1.660 1.00 0.00 C ATOM 1699 C ALA A 110 -6.610 6.535 2.718 1.00 0.00 C ATOM 1700 O ALA A 110 -6.340 6.608 3.917 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.444 5.822 0.623 1.00 0.00 C ATOM 0 H ALA A 110 -3.810 6.403 2.648 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.936 7.832 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.418 5.615 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.750 6.139 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.065 4.919 1.102 1.00 0.00 H new ATOM 1707 N LYS A 111 -7.789 6.121 2.267 1.00 0.00 N ATOM 1708 CA LYS A 111 -8.856 5.717 3.174 1.00 0.00 C ATOM 1709 C LYS A 111 -8.575 4.340 3.767 1.00 0.00 C ATOM 1710 O LYS A 111 -9.452 3.476 3.797 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.199 5.704 2.440 1.00 0.00 C ATOM 1712 CG LYS A 111 -10.885 7.058 2.402 1.00 0.00 C ATOM 1713 CD LYS A 111 -10.228 7.987 1.394 1.00 0.00 C ATOM 1714 CE LYS A 111 -10.730 7.723 -0.017 1.00 0.00 C ATOM 1715 NZ LYS A 111 -9.995 8.532 -1.028 1.00 0.00 N ATOM 0 H LYS A 111 -8.030 6.056 1.278 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.900 6.441 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.042 5.357 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.860 4.985 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.937 6.927 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.852 7.512 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.431 9.023 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.147 7.855 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.619 6.664 -0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.794 7.952 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.367 8.323 -1.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.121 9.543 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.983 8.295 -0.993 1.00 0.00 H new ATOM 1729 N SER A 112 -7.348 4.143 4.238 1.00 0.00 N ATOM 1730 CA SER A 112 -6.951 2.870 4.828 1.00 0.00 C ATOM 1731 C SER A 112 -7.355 2.802 6.298 1.00 0.00 C ATOM 1732 O SER A 112 -7.515 3.821 6.971 1.00 0.00 O ATOM 1733 CB SER A 112 -5.441 2.669 4.693 1.00 0.00 C ATOM 1734 OG SER A 112 -4.759 3.137 5.844 1.00 0.00 O ATOM 0 H SER A 112 -6.612 4.849 4.223 1.00 0.00 H new ATOM 0 HA SER A 112 -7.466 2.074 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.224 1.611 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.078 3.197 3.811 1.00 0.00 H new ATOM 0 HG SER A 112 -3.796 2.996 5.733 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.525 1.574 6.808 1.00 0.00 N ATOM 1741 CA PRO A 113 -7.338 0.355 6.016 1.00 0.00 C ATOM 1742 C PRO A 113 -8.427 0.174 4.964 1.00 0.00 C ATOM 1743 O PRO A 113 -9.515 0.740 5.079 1.00 0.00 O ATOM 1744 CB PRO A 113 -7.413 -0.762 7.060 1.00 0.00 C ATOM 1745 CG PRO A 113 -8.228 -0.190 8.169 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.913 1.280 8.198 1.00 0.00 C ATOM 0 HA PRO A 113 -6.403 0.373 5.457 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.878 -1.658 6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.420 -1.048 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.291 -0.358 7.999 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.979 -0.661 9.120 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.776 1.870 8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -7.107 1.504 8.896 1.00 0.00 H new ATOM 1754 N TYR A 114 -8.129 -0.617 3.940 1.00 0.00 N ATOM 1755 CA TYR A 114 -9.082 -0.870 2.866 1.00 0.00 C ATOM 1756 C TYR A 114 -9.654 -2.281 2.967 1.00 0.00 C ATOM 1757 O TYR A 114 -8.974 -3.261 2.660 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.413 -0.675 1.505 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.524 0.736 0.973 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.708 1.195 0.408 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.445 1.610 1.033 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.814 2.483 -0.080 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.543 2.900 0.549 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.729 3.332 -0.007 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.830 4.616 -0.492 1.00 0.00 O ATOM 0 H TYR A 114 -7.234 -1.095 3.831 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.901 -0.157 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.359 -0.942 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.862 -1.362 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.560 0.533 0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.514 1.275 1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.741 2.824 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.695 3.567 0.606 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.730 4.760 -0.851 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.907 -2.375 3.398 1.00 0.00 N ATOM 1776 CA ILE A 115 -11.571 -3.665 3.537 1.00 0.00 C ATOM 1777 C ILE A 115 -12.203 -4.104 2.220 1.00 0.00 C ATOM 1778 O ILE A 115 -13.006 -3.378 1.632 1.00 0.00 O ATOM 1779 CB ILE A 115 -12.660 -3.623 4.626 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -12.123 -2.944 5.888 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -13.148 -5.029 4.941 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.960 -3.676 6.520 1.00 0.00 C ATOM 0 H ILE A 115 -11.483 -1.574 3.657 1.00 0.00 H new ATOM 0 HA ILE A 115 -10.805 -4.384 3.827 1.00 0.00 H new ATOM 0 HB ILE A 115 -13.504 -3.042 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.812 -1.929 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.929 -2.861 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -13.917 -4.983 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -13.564 -5.480 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -12.313 -5.633 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -10.631 -3.138 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -11.272 -4.682 6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -10.137 -3.736 5.807 1.00 0.00 H new ATOM 1794 N LEU A 116 -11.836 -5.295 1.762 1.00 0.00 N ATOM 1795 CA LEU A 116 -12.367 -5.833 0.514 1.00 0.00 C ATOM 1796 C LEU A 116 -12.960 -7.222 0.729 1.00 0.00 C ATOM 1797 O LEU A 116 -12.250 -8.165 1.076 1.00 0.00 O ATOM 1798 CB LEU A 116 -11.268 -5.894 -0.547 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.541 -4.580 -0.837 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -9.328 -4.430 0.068 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -10.129 -4.509 -2.300 1.00 0.00 C ATOM 0 H LEU A 116 -11.172 -5.907 2.236 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.159 -5.169 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.530 -6.633 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.708 -6.256 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.225 -3.756 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.823 -3.489 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.649 -4.434 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.641 -5.259 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.613 -3.567 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.463 -5.340 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -11.016 -4.569 -2.931 1.00 0.00 H new ATOM 1813 N LYS A 117 -14.267 -7.340 0.517 1.00 0.00 N ATOM 1814 CA LYS A 117 -14.957 -8.614 0.683 1.00 0.00 C ATOM 1815 C LYS A 117 -16.195 -8.682 -0.205 1.00 0.00 C ATOM 1816 O LYS A 117 -16.599 -7.685 -0.800 1.00 0.00 O ATOM 1817 CB LYS A 117 -15.355 -8.815 2.148 1.00 0.00 C ATOM 1818 CG LYS A 117 -16.341 -7.779 2.657 1.00 0.00 C ATOM 1819 CD LYS A 117 -16.640 -7.972 4.134 1.00 0.00 C ATOM 1820 CE LYS A 117 -18.012 -7.428 4.502 1.00 0.00 C ATOM 1821 NZ LYS A 117 -18.371 -7.736 5.914 1.00 0.00 N ATOM 0 H LYS A 117 -14.869 -6.569 0.230 1.00 0.00 H new ATOM 0 HA LYS A 117 -14.274 -9.410 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.791 -9.807 2.265 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.458 -8.786 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -15.937 -6.780 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.267 -7.845 2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.590 -9.033 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -15.877 -7.470 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.027 -6.349 4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.762 -7.854 3.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.313 -7.348 6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.382 -8.767 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.670 -7.308 6.552 1.00 0.00 H new