USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 863 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 101 LYS NZ :NH3+ -155:sc= -0.0954 (180deg=-0.249) USER MOD Set 1.2: A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 92 THR OG1 : rot 131:sc= 0.397 USER MOD Set 2.2: A 94 GLN : amide:sc= -3.05! C(o=-2.7!,f=-5.2!) USER MOD Set 3.1: A 84 THR OG1 : rot -170:sc= -4.51! USER MOD Set 3.2: A 99 SER OG : rot 152:sc= -5.59! USER MOD Set 4.1: A 23 SER OG : rot -110:sc= -0.311 USER MOD Set 4.2: A 45 LYS NZ :NH3+ -144:sc= -0.866 (180deg=-0.715) USER MOD Set 5.1: A 42 THR OG1 : rot 180:sc= -2.93! USER MOD Set 5.2: A 46 SER OG : rot -95:sc= -1.67! USER MOD Set 6.1: A 26 TYR OH : rot -33:sc= 0.933 USER MOD Set 6.2: A 41 ASN : amide:sc= -5.96! C(o=-5!,f=-12!) USER MOD Single : A 20 CYS SG : rot 4:sc= -12.9! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -26:sc= 1 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 31:sc= 0.805 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.43 F(o=-2.5!,f=-1.4) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 ASN : amide:sc= -3.47 K(o=-3.5,f=-4.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -127:sc= -3.19 (180deg=-5.21!) USER MOD Single : A 89 SER OG : rot 37:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 37:sc= 0.706 USER MOD Single : A 106 THR OG1 : rot -89:sc= 1.06 USER MOD Single : A 109 SER OG : rot 63:sc= 1.17 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.492 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -9.080 -5.786 -0.235 1.00 0.00 N ATOM 160 CA PRO A 12 -7.915 -6.556 0.166 1.00 0.00 C ATOM 161 C PRO A 12 -7.051 -5.732 1.129 1.00 0.00 C ATOM 162 O PRO A 12 -7.296 -5.691 2.318 1.00 0.00 O ATOM 163 CB PRO A 12 -7.176 -6.814 -1.139 1.00 0.00 C ATOM 164 CG PRO A 12 -7.575 -5.599 -2.037 1.00 0.00 C ATOM 165 CD PRO A 12 -8.982 -5.141 -1.552 1.00 0.00 C ATOM 0 HA PRO A 12 -8.169 -7.479 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.098 -6.862 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.476 -7.760 -1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.849 -4.791 -1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.600 -5.884 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.055 -4.056 -1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.772 -5.470 -2.227 1.00 0.00 H new ATOM 173 N VAL A 13 -6.051 -5.063 0.620 1.00 0.00 N ATOM 174 CA VAL A 13 -5.186 -4.231 1.498 1.00 0.00 C ATOM 175 C VAL A 13 -5.451 -2.757 1.179 1.00 0.00 C ATOM 176 O VAL A 13 -4.730 -2.150 0.414 1.00 0.00 O ATOM 177 CB VAL A 13 -3.717 -4.564 1.233 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.822 -3.554 1.955 1.00 0.00 C ATOM 179 CG2 VAL A 13 -3.414 -5.972 1.751 1.00 0.00 C ATOM 0 H VAL A 13 -5.798 -5.058 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.408 -4.431 2.546 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.523 -4.518 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.776 -3.794 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.037 -2.550 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.015 -3.598 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.367 -6.211 1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.609 -6.015 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.049 -6.693 1.237 1.00 0.00 H new ATOM 189 N PRO A 14 -6.495 -2.234 1.768 1.00 0.00 N ATOM 190 CA PRO A 14 -6.890 -0.850 1.555 1.00 0.00 C ATOM 191 C PRO A 14 -5.871 0.104 2.177 1.00 0.00 C ATOM 192 O PRO A 14 -5.481 -0.054 3.317 1.00 0.00 O ATOM 193 CB PRO A 14 -8.242 -0.726 2.254 1.00 0.00 C ATOM 194 CG PRO A 14 -8.206 -1.861 3.324 1.00 0.00 C ATOM 195 CD PRO A 14 -7.349 -2.994 2.697 1.00 0.00 C ATOM 0 HA PRO A 14 -6.945 -0.593 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.368 0.254 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.068 -0.859 1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.767 -1.507 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.211 -2.212 3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.766 -3.530 3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.961 -3.734 2.180 1.00 0.00 H new ATOM 203 N LEU A 15 -5.443 1.105 1.449 1.00 0.00 N ATOM 204 CA LEU A 15 -4.461 2.063 2.029 1.00 0.00 C ATOM 205 C LEU A 15 -5.055 3.484 2.063 1.00 0.00 C ATOM 206 O LEU A 15 -4.421 4.419 1.623 1.00 0.00 O ATOM 207 CB LEU A 15 -3.180 2.059 1.192 1.00 0.00 C ATOM 208 CG LEU A 15 -2.660 0.625 1.074 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.336 0.312 -0.388 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.393 0.474 1.917 1.00 0.00 C ATOM 0 H LEU A 15 -5.729 1.297 0.489 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.229 1.755 3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.377 2.470 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.426 2.695 1.656 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.424 -0.066 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.966 -0.710 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.237 0.420 -0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.574 1.003 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.021 -0.547 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.633 1.168 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.622 0.694 2.960 1.00 0.00 H new ATOM 222 N PRO A 16 -6.248 3.602 2.613 1.00 0.00 N ATOM 223 CA PRO A 16 -6.939 4.877 2.756 1.00 0.00 C ATOM 224 C PRO A 16 -5.978 6.037 3.059 1.00 0.00 C ATOM 225 O PRO A 16 -6.290 7.182 2.796 1.00 0.00 O ATOM 226 CB PRO A 16 -7.901 4.652 3.912 1.00 0.00 C ATOM 227 CG PRO A 16 -8.179 3.113 3.887 1.00 0.00 C ATOM 228 CD PRO A 16 -6.995 2.448 3.117 1.00 0.00 C ATOM 0 HA PRO A 16 -7.441 5.165 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.463 4.962 4.861 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.819 5.225 3.783 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.251 2.718 4.900 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.128 2.900 3.394 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.385 1.826 3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.347 1.809 2.307 1.00 0.00 H new ATOM 236 N GLU A 17 -4.814 5.772 3.594 1.00 0.00 N ATOM 237 CA GLU A 17 -3.863 6.888 3.883 1.00 0.00 C ATOM 238 C GLU A 17 -3.215 7.385 2.576 1.00 0.00 C ATOM 239 O GLU A 17 -2.227 8.092 2.595 1.00 0.00 O ATOM 240 CB GLU A 17 -2.771 6.390 4.833 1.00 0.00 C ATOM 241 CG GLU A 17 -2.377 7.513 5.792 1.00 0.00 C ATOM 242 CD GLU A 17 -2.703 7.097 7.228 1.00 0.00 C ATOM 243 OE1 GLU A 17 -2.703 5.906 7.493 1.00 0.00 O ATOM 244 OE2 GLU A 17 -2.944 7.977 8.038 1.00 0.00 O ATOM 0 H GLU A 17 -4.482 4.840 3.842 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.409 7.711 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.129 5.527 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.901 6.062 4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.313 7.729 5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.912 8.428 5.537 1.00 0.00 H new ATOM 251 N LEU A 18 -3.766 7.023 1.445 1.00 0.00 N ATOM 252 CA LEU A 18 -3.199 7.466 0.144 1.00 0.00 C ATOM 253 C LEU A 18 -4.346 7.564 -0.868 1.00 0.00 C ATOM 254 O LEU A 18 -4.552 6.664 -1.657 1.00 0.00 O ATOM 255 CB LEU A 18 -2.176 6.434 -0.337 1.00 0.00 C ATOM 256 CG LEU A 18 -1.204 7.088 -1.318 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.189 7.168 -0.690 1.00 0.00 C ATOM 258 CD2 LEU A 18 -1.138 6.253 -2.598 1.00 0.00 C ATOM 0 H LEU A 18 -4.594 6.432 1.371 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.708 8.433 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.630 6.026 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.686 5.599 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.551 8.094 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.879 7.635 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.143 7.762 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.539 6.164 -0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.445 6.717 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.793 5.247 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.129 6.199 -3.049 1.00 0.00 H new ATOM 270 N PRO A 19 -5.076 8.650 -0.797 1.00 0.00 N ATOM 271 CA PRO A 19 -6.214 8.872 -1.676 1.00 0.00 C ATOM 272 C PRO A 19 -5.854 8.550 -3.128 1.00 0.00 C ATOM 273 O PRO A 19 -4.698 8.518 -3.503 1.00 0.00 O ATOM 274 CB PRO A 19 -6.540 10.349 -1.511 1.00 0.00 C ATOM 275 CG PRO A 19 -6.007 10.685 -0.082 1.00 0.00 C ATOM 276 CD PRO A 19 -4.801 9.731 0.161 1.00 0.00 C ATOM 0 HA PRO A 19 -7.060 8.232 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.051 10.955 -2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.611 10.535 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.699 11.728 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.782 10.533 0.669 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.847 10.220 -0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.767 9.368 1.188 1.00 0.00 H new ATOM 284 N CYS A 20 -6.842 8.303 -3.944 1.00 0.00 N ATOM 285 CA CYS A 20 -6.574 7.974 -5.372 1.00 0.00 C ATOM 286 C CYS A 20 -6.827 9.206 -6.246 1.00 0.00 C ATOM 287 O CYS A 20 -5.910 9.907 -6.624 1.00 0.00 O ATOM 288 CB CYS A 20 -7.501 6.837 -5.806 1.00 0.00 C ATOM 289 SG CYS A 20 -6.508 5.470 -6.456 1.00 0.00 S ATOM 0 H CYS A 20 -7.828 8.315 -3.681 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.535 7.666 -5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.099 6.497 -4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.197 7.190 -6.567 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.245 5.746 -6.316 1.00 0.00 H new ATOM 295 N GLU A 21 -8.063 9.477 -6.570 1.00 0.00 N ATOM 296 CA GLU A 21 -8.367 10.664 -7.420 1.00 0.00 C ATOM 297 C GLU A 21 -8.849 11.810 -6.529 1.00 0.00 C ATOM 298 O GLU A 21 -9.758 12.537 -6.876 1.00 0.00 O ATOM 299 CB GLU A 21 -9.461 10.307 -8.431 1.00 0.00 C ATOM 300 CG GLU A 21 -9.589 11.432 -9.461 1.00 0.00 C ATOM 301 CD GLU A 21 -10.934 11.313 -10.180 1.00 0.00 C ATOM 302 OE1 GLU A 21 -11.718 10.462 -9.792 1.00 0.00 O ATOM 303 OE2 GLU A 21 -11.159 12.077 -11.104 1.00 0.00 O ATOM 0 H GLU A 21 -8.874 8.929 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.468 10.969 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.218 9.369 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.411 10.159 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.512 12.401 -8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.773 11.375 -10.181 1.00 0.00 H new ATOM 310 N LYS A 22 -8.251 11.973 -5.381 1.00 0.00 N ATOM 311 CA LYS A 22 -8.682 13.068 -4.470 1.00 0.00 C ATOM 312 C LYS A 22 -10.187 12.952 -4.231 1.00 0.00 C ATOM 313 O LYS A 22 -10.841 13.899 -3.844 1.00 0.00 O ATOM 314 CB LYS A 22 -8.366 14.421 -5.108 1.00 0.00 C ATOM 315 CG LYS A 22 -7.650 15.311 -4.090 1.00 0.00 C ATOM 316 CD LYS A 22 -6.362 15.858 -4.708 1.00 0.00 C ATOM 317 CE LYS A 22 -6.542 17.341 -5.037 1.00 0.00 C ATOM 318 NZ LYS A 22 -5.327 18.095 -4.617 1.00 0.00 N ATOM 0 H LYS A 22 -7.484 11.396 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.151 12.988 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.740 14.282 -5.989 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.286 14.901 -5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.299 16.133 -3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.421 14.741 -3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.530 15.727 -4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.115 15.302 -5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.711 17.469 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.421 17.734 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.450 19.103 -4.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.185 17.982 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.497 17.726 -5.124 1.00 0.00 H new ATOM 332 N SER A 23 -10.741 11.793 -4.463 1.00 0.00 N ATOM 333 CA SER A 23 -12.204 11.609 -4.253 1.00 0.00 C ATOM 334 C SER A 23 -12.433 10.696 -3.049 1.00 0.00 C ATOM 335 O SER A 23 -11.611 10.610 -2.158 1.00 0.00 O ATOM 336 CB SER A 23 -12.820 10.973 -5.499 1.00 0.00 C ATOM 337 OG SER A 23 -14.070 11.592 -5.772 1.00 0.00 O ATOM 0 H SER A 23 -10.242 10.965 -4.789 1.00 0.00 H new ATOM 0 HA SER A 23 -12.671 12.577 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.150 11.090 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.957 9.903 -5.345 1.00 0.00 H new ATOM 0 HG SER A 23 -14.795 10.959 -5.590 1.00 0.00 H new ATOM 343 N ASP A 24 -13.540 10.009 -3.018 1.00 0.00 N ATOM 344 CA ASP A 24 -13.815 9.096 -1.875 1.00 0.00 C ATOM 345 C ASP A 24 -13.131 7.751 -2.131 1.00 0.00 C ATOM 346 O ASP A 24 -13.374 6.778 -1.447 1.00 0.00 O ATOM 347 CB ASP A 24 -15.325 8.884 -1.742 1.00 0.00 C ATOM 348 CG ASP A 24 -15.888 9.862 -0.709 1.00 0.00 C ATOM 349 OD1 ASP A 24 -15.331 10.939 -0.576 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.868 9.517 -0.069 1.00 0.00 O ATOM 0 H ASP A 24 -14.266 10.040 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.430 9.534 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.811 9.037 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.534 7.858 -1.439 1.00 0.00 H new ATOM 355 N ALA A 25 -12.275 7.691 -3.116 1.00 0.00 N ATOM 356 CA ALA A 25 -11.575 6.417 -3.423 1.00 0.00 C ATOM 357 C ALA A 25 -10.178 6.443 -2.805 1.00 0.00 C ATOM 358 O ALA A 25 -9.499 7.449 -2.829 1.00 0.00 O ATOM 359 CB ALA A 25 -11.455 6.266 -4.938 1.00 0.00 C ATOM 0 H ALA A 25 -12.032 8.475 -3.722 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.138 5.579 -3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.942 5.333 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.450 6.254 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.887 7.103 -5.343 1.00 0.00 H new ATOM 365 N TYR A 26 -9.739 5.344 -2.257 1.00 0.00 N ATOM 366 CA TYR A 26 -8.382 5.313 -1.648 1.00 0.00 C ATOM 367 C TYR A 26 -7.472 4.422 -2.494 1.00 0.00 C ATOM 368 O TYR A 26 -7.793 4.088 -3.617 1.00 0.00 O ATOM 369 CB TYR A 26 -8.465 4.765 -0.222 1.00 0.00 C ATOM 370 CG TYR A 26 -9.604 3.781 -0.107 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.428 2.454 -0.515 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.834 4.196 0.417 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.482 1.541 -0.398 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.889 3.283 0.534 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.712 1.956 0.127 1.00 0.00 C ATOM 376 OH TYR A 26 -12.751 1.055 0.242 1.00 0.00 O ATOM 0 H TYR A 26 -10.260 4.469 -2.205 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.974 6.323 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.526 4.279 0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.610 5.584 0.482 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.479 2.135 -0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.969 5.220 0.731 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.347 0.517 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.838 3.603 0.938 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.706 0.409 -0.493 1.00 0.00 H new ATOM 386 N PHE A 27 -6.331 4.047 -1.981 1.00 0.00 N ATOM 387 CA PHE A 27 -5.412 3.197 -2.787 1.00 0.00 C ATOM 388 C PHE A 27 -5.250 1.806 -2.162 1.00 0.00 C ATOM 389 O PHE A 27 -4.339 1.560 -1.400 1.00 0.00 O ATOM 390 CB PHE A 27 -4.039 3.868 -2.865 1.00 0.00 C ATOM 391 CG PHE A 27 -3.782 4.330 -4.280 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.973 3.447 -5.348 1.00 0.00 C ATOM 393 CD2 PHE A 27 -3.351 5.640 -4.521 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.731 3.875 -6.659 1.00 0.00 C ATOM 395 CE2 PHE A 27 -3.110 6.067 -5.831 1.00 0.00 C ATOM 396 CZ PHE A 27 -3.300 5.184 -6.901 1.00 0.00 C ATOM 0 H PHE A 27 -5.999 4.290 -1.048 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.840 3.083 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.998 4.716 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.263 3.169 -2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.307 2.437 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.205 6.321 -3.696 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.877 3.194 -7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.777 7.078 -6.017 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.114 5.513 -7.913 1.00 0.00 H new ATOM 406 N VAL A 28 -6.108 0.885 -2.496 1.00 0.00 N ATOM 407 CA VAL A 28 -5.961 -0.493 -1.943 1.00 0.00 C ATOM 408 C VAL A 28 -4.666 -1.096 -2.490 1.00 0.00 C ATOM 409 O VAL A 28 -3.881 -0.423 -3.128 1.00 0.00 O ATOM 410 CB VAL A 28 -7.139 -1.382 -2.371 1.00 0.00 C ATOM 411 CG1 VAL A 28 -8.269 -1.281 -1.347 1.00 0.00 C ATOM 412 CG2 VAL A 28 -7.655 -0.942 -3.744 1.00 0.00 C ATOM 0 H VAL A 28 -6.900 1.023 -3.123 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.941 -0.440 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.796 -2.415 -2.429 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.100 -1.914 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.907 -1.610 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.607 -0.247 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.490 -1.577 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.988 0.094 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.855 -1.029 -4.479 1.00 0.00 H new ATOM 422 N LEU A 29 -4.437 -2.357 -2.255 1.00 0.00 N ATOM 423 CA LEU A 29 -3.194 -2.995 -2.774 1.00 0.00 C ATOM 424 C LEU A 29 -3.480 -4.457 -3.124 1.00 0.00 C ATOM 425 O LEU A 29 -3.399 -5.334 -2.288 1.00 0.00 O ATOM 426 CB LEU A 29 -2.093 -2.926 -1.713 1.00 0.00 C ATOM 427 CG LEU A 29 -0.856 -3.671 -2.217 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.045 -2.706 -2.989 1.00 0.00 C ATOM 429 CD2 LEU A 29 -0.086 -4.246 -1.027 1.00 0.00 C ATOM 0 H LEU A 29 -5.055 -2.973 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.863 -2.465 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.843 -1.887 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.443 -3.368 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.166 -4.482 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.926 -3.239 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.503 -2.298 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.355 -1.893 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.796 -4.777 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.223 -3.435 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.727 -4.936 -0.478 1.00 0.00 H new ATOM 441 N ARG A 30 -3.812 -4.722 -4.358 1.00 0.00 N ATOM 442 CA ARG A 30 -4.100 -6.125 -4.768 1.00 0.00 C ATOM 443 C ARG A 30 -2.832 -6.752 -5.349 1.00 0.00 C ATOM 444 O ARG A 30 -1.755 -6.199 -5.255 1.00 0.00 O ATOM 445 CB ARG A 30 -5.201 -6.130 -5.829 1.00 0.00 C ATOM 446 CG ARG A 30 -6.566 -5.990 -5.151 1.00 0.00 C ATOM 447 CD ARG A 30 -7.626 -5.656 -6.203 1.00 0.00 C ATOM 448 NE ARG A 30 -7.832 -4.181 -6.249 1.00 0.00 N ATOM 449 CZ ARG A 30 -8.708 -3.670 -7.070 1.00 0.00 C ATOM 450 NH1 ARG A 30 -8.858 -4.178 -8.264 1.00 0.00 N ATOM 451 NH2 ARG A 30 -9.435 -2.651 -6.699 1.00 0.00 N ATOM 0 H ARG A 30 -3.896 -4.027 -5.100 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.428 -6.699 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.047 -5.311 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.162 -7.055 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.826 -6.916 -4.638 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.530 -5.206 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.311 -6.021 -7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.563 -6.158 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.288 -3.571 -5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.290 -4.974 -8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.543 -3.779 -8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.318 -2.254 -5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.120 -2.252 -7.341 1.00 0.00 H new ATOM 465 N ASP A 31 -2.953 -7.902 -5.954 1.00 0.00 N ATOM 466 CA ASP A 31 -1.755 -8.561 -6.544 1.00 0.00 C ATOM 467 C ASP A 31 -2.138 -9.207 -7.877 1.00 0.00 C ATOM 468 O ASP A 31 -2.423 -10.386 -7.948 1.00 0.00 O ATOM 469 CB ASP A 31 -1.239 -9.636 -5.584 1.00 0.00 C ATOM 470 CG ASP A 31 -2.310 -10.713 -5.399 1.00 0.00 C ATOM 471 OD1 ASP A 31 -3.371 -10.385 -4.897 1.00 0.00 O ATOM 472 OD2 ASP A 31 -2.049 -11.848 -5.765 1.00 0.00 O ATOM 0 H ASP A 31 -3.829 -8.413 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.974 -7.819 -6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.325 -10.081 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.988 -9.189 -4.622 1.00 0.00 H new ATOM 477 N GLY A 32 -2.152 -8.445 -8.936 1.00 0.00 N ATOM 478 CA GLY A 32 -2.520 -9.016 -10.261 1.00 0.00 C ATOM 479 C GLY A 32 -1.862 -8.197 -11.373 1.00 0.00 C ATOM 480 O GLY A 32 -1.392 -8.732 -12.356 1.00 0.00 O ATOM 0 H GLY A 32 -1.924 -7.451 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.198 -10.056 -10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.603 -9.010 -10.383 1.00 0.00 H new ATOM 484 N ALA A 33 -1.826 -6.901 -11.224 1.00 0.00 N ATOM 485 CA ALA A 33 -1.198 -6.048 -12.272 1.00 0.00 C ATOM 486 C ALA A 33 0.299 -6.349 -12.344 1.00 0.00 C ATOM 487 O ALA A 33 1.104 -5.704 -11.701 1.00 0.00 O ATOM 488 CB ALA A 33 -1.407 -4.573 -11.922 1.00 0.00 C ATOM 0 H ALA A 33 -2.204 -6.396 -10.422 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.658 -6.260 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.948 -3.949 -12.688 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.475 -4.359 -11.871 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.948 -4.359 -10.957 1.00 0.00 H new ATOM 494 N ALA A 34 0.682 -7.324 -13.121 1.00 0.00 N ATOM 495 CA ALA A 34 2.127 -7.666 -13.234 1.00 0.00 C ATOM 496 C ALA A 34 2.732 -7.794 -11.835 1.00 0.00 C ATOM 497 O ALA A 34 3.837 -7.354 -11.584 1.00 0.00 O ATOM 498 CB ALA A 34 2.854 -6.562 -14.004 1.00 0.00 C ATOM 0 H ALA A 34 0.055 -7.899 -13.683 1.00 0.00 H new ATOM 0 HA ALA A 34 2.236 -8.612 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.912 -6.812 -14.087 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.424 -6.470 -15.001 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.745 -5.616 -13.473 1.00 0.00 H new ATOM 504 N GLY A 35 2.020 -8.392 -10.921 1.00 0.00 N ATOM 505 CA GLY A 35 2.559 -8.547 -9.541 1.00 0.00 C ATOM 506 C GLY A 35 1.695 -7.754 -8.559 1.00 0.00 C ATOM 507 O GLY A 35 0.485 -7.716 -8.672 1.00 0.00 O ATOM 0 H GLY A 35 1.088 -8.780 -11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.571 -9.600 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.590 -8.194 -9.501 1.00 0.00 H new ATOM 511 N VAL A 36 2.304 -7.122 -7.594 1.00 0.00 N ATOM 512 CA VAL A 36 1.518 -6.333 -6.606 1.00 0.00 C ATOM 513 C VAL A 36 1.256 -4.932 -7.161 1.00 0.00 C ATOM 514 O VAL A 36 1.907 -4.487 -8.084 1.00 0.00 O ATOM 515 CB VAL A 36 2.306 -6.224 -5.299 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.818 -7.607 -4.894 1.00 0.00 C ATOM 517 CG2 VAL A 36 3.494 -5.280 -5.497 1.00 0.00 C ATOM 0 H VAL A 36 3.313 -7.118 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 36 0.567 -6.832 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 36 1.656 -5.833 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.379 -7.529 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.973 -8.281 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.467 -7.998 -5.677 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.056 -5.202 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.143 -5.671 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.131 -4.294 -5.785 1.00 0.00 H new ATOM 527 N PHE A 37 0.308 -4.232 -6.600 1.00 0.00 N ATOM 528 CA PHE A 37 0.005 -2.859 -7.090 1.00 0.00 C ATOM 529 C PHE A 37 -1.071 -2.229 -6.202 1.00 0.00 C ATOM 530 O PHE A 37 -1.532 -2.829 -5.251 1.00 0.00 O ATOM 531 CB PHE A 37 -0.489 -2.931 -8.542 1.00 0.00 C ATOM 532 CG PHE A 37 -1.933 -3.374 -8.574 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.262 -4.717 -8.358 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.944 -2.436 -8.817 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.602 -5.122 -8.385 1.00 0.00 C ATOM 536 CE2 PHE A 37 -4.283 -2.842 -8.844 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.613 -4.184 -8.629 1.00 0.00 C ATOM 0 H PHE A 37 -0.270 -4.553 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 37 0.906 -2.247 -7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.388 -1.956 -9.018 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.127 -3.628 -9.110 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.483 -5.441 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.690 -1.399 -8.984 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.856 -6.158 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.062 -2.118 -9.031 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.647 -4.497 -8.651 1.00 0.00 H new ATOM 547 N LEU A 38 -1.477 -1.027 -6.503 1.00 0.00 N ATOM 548 CA LEU A 38 -2.524 -0.367 -5.672 1.00 0.00 C ATOM 549 C LEU A 38 -3.628 0.175 -6.581 1.00 0.00 C ATOM 550 O LEU A 38 -3.441 1.149 -7.282 1.00 0.00 O ATOM 551 CB LEU A 38 -1.905 0.790 -4.883 1.00 0.00 C ATOM 552 CG LEU A 38 -0.480 0.430 -4.463 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.510 1.349 -5.181 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.335 0.611 -2.951 1.00 0.00 C ATOM 0 H LEU A 38 -1.130 -0.474 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.944 -1.095 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.896 1.694 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.510 1.005 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.273 -0.607 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.527 1.093 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.406 1.224 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.303 2.385 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.681 0.355 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.541 1.648 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.041 -0.041 -2.437 1.00 0.00 H new ATOM 566 N ALA A 39 -4.780 -0.439 -6.572 1.00 0.00 N ATOM 567 CA ALA A 39 -5.887 0.057 -7.434 1.00 0.00 C ATOM 568 C ALA A 39 -6.706 1.086 -6.656 1.00 0.00 C ATOM 569 O ALA A 39 -6.721 1.093 -5.440 1.00 0.00 O ATOM 570 CB ALA A 39 -6.796 -1.106 -7.840 1.00 0.00 C ATOM 0 H ALA A 39 -5.001 -1.259 -6.007 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.467 0.514 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.603 -0.734 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.216 -1.846 -8.392 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.217 -1.568 -6.947 1.00 0.00 H new ATOM 576 N ALA A 40 -7.390 1.955 -7.344 1.00 0.00 N ATOM 577 CA ALA A 40 -8.208 2.981 -6.643 1.00 0.00 C ATOM 578 C ALA A 40 -9.521 2.348 -6.179 1.00 0.00 C ATOM 579 O ALA A 40 -10.047 1.452 -6.811 1.00 0.00 O ATOM 580 CB ALA A 40 -8.506 4.131 -7.604 1.00 0.00 C ATOM 0 H ALA A 40 -7.418 1.999 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.662 3.361 -5.779 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.105 4.885 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.570 4.577 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.056 3.752 -8.465 1.00 0.00 H new ATOM 586 N ASN A 41 -10.058 2.805 -5.081 1.00 0.00 N ATOM 587 CA ASN A 41 -11.336 2.227 -4.581 1.00 0.00 C ATOM 588 C ASN A 41 -12.492 2.687 -5.473 1.00 0.00 C ATOM 589 O ASN A 41 -13.622 2.275 -5.301 1.00 0.00 O ATOM 590 CB ASN A 41 -11.582 2.695 -3.146 1.00 0.00 C ATOM 591 CG ASN A 41 -12.678 1.839 -2.511 1.00 0.00 C ATOM 592 OD1 ASN A 41 -12.444 0.703 -2.148 1.00 0.00 O ATOM 593 ND2 ASN A 41 -13.875 2.338 -2.361 1.00 0.00 N ATOM 0 H ASN A 41 -9.667 3.553 -4.509 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.273 1.139 -4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.663 2.618 -2.565 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.876 3.745 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.613 1.775 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.072 3.291 -2.665 1.00 0.00 H new ATOM 600 N THR A 42 -12.220 3.536 -6.426 1.00 0.00 N ATOM 601 CA THR A 42 -13.307 4.018 -7.324 1.00 0.00 C ATOM 602 C THR A 42 -13.174 3.352 -8.698 1.00 0.00 C ATOM 603 O THR A 42 -13.970 3.586 -9.584 1.00 0.00 O ATOM 604 CB THR A 42 -13.205 5.537 -7.481 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.839 5.925 -7.452 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.959 6.222 -6.340 1.00 0.00 C ATOM 0 H THR A 42 -11.294 3.916 -6.621 1.00 0.00 H new ATOM 0 HA THR A 42 -14.273 3.761 -6.890 1.00 0.00 H new ATOM 0 HB THR A 42 -13.645 5.834 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.773 6.897 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.886 7.304 -6.453 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.007 5.925 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.522 5.926 -5.386 1.00 0.00 H new ATOM 614 N PHE A 43 -12.174 2.525 -8.875 1.00 0.00 N ATOM 615 CA PHE A 43 -11.980 1.834 -10.186 1.00 0.00 C ATOM 616 C PHE A 43 -13.346 1.465 -10.781 1.00 0.00 C ATOM 617 O PHE A 43 -14.240 1.072 -10.058 1.00 0.00 O ATOM 618 CB PHE A 43 -11.164 0.558 -9.957 1.00 0.00 C ATOM 619 CG PHE A 43 -10.955 -0.157 -11.271 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.931 -1.037 -11.752 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.785 0.062 -12.008 1.00 0.00 C ATOM 622 CE1 PHE A 43 -11.738 -1.699 -12.970 1.00 0.00 C ATOM 623 CE2 PHE A 43 -9.592 -0.600 -13.227 1.00 0.00 C ATOM 624 CZ PHE A 43 -10.568 -1.480 -13.707 1.00 0.00 C ATOM 0 H PHE A 43 -11.480 2.298 -8.163 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.454 2.494 -10.876 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.201 0.806 -9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.682 -0.095 -9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.833 -1.205 -11.183 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.032 0.741 -11.637 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.491 -2.378 -13.341 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.690 -0.431 -13.796 1.00 0.00 H new ATOM 0 HZ PHE A 43 -10.419 -1.991 -14.647 1.00 0.00 H new ATOM 634 N PRO A 44 -13.470 1.595 -12.081 1.00 0.00 N ATOM 635 CA PRO A 44 -12.396 2.067 -12.945 1.00 0.00 C ATOM 636 C PRO A 44 -12.283 3.598 -12.904 1.00 0.00 C ATOM 637 O PRO A 44 -11.376 4.169 -13.475 1.00 0.00 O ATOM 638 CB PRO A 44 -12.815 1.617 -14.338 1.00 0.00 C ATOM 639 CG PRO A 44 -14.375 1.577 -14.254 1.00 0.00 C ATOM 640 CD PRO A 44 -14.721 1.251 -12.771 1.00 0.00 C ATOM 0 HA PRO A 44 -11.425 1.677 -12.640 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.472 2.312 -15.104 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.401 0.640 -14.586 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.806 2.532 -14.553 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.782 0.820 -14.924 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.562 1.842 -12.409 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.987 0.203 -12.635 1.00 0.00 H new ATOM 648 N LYS A 45 -13.197 4.267 -12.247 1.00 0.00 N ATOM 649 CA LYS A 45 -13.133 5.757 -12.187 1.00 0.00 C ATOM 650 C LYS A 45 -11.681 6.193 -11.966 1.00 0.00 C ATOM 651 O LYS A 45 -11.273 7.261 -12.374 1.00 0.00 O ATOM 652 CB LYS A 45 -14.022 6.258 -11.039 1.00 0.00 C ATOM 653 CG LYS A 45 -13.548 7.634 -10.565 1.00 0.00 C ATOM 654 CD LYS A 45 -14.418 8.102 -9.397 1.00 0.00 C ATOM 655 CE LYS A 45 -14.505 9.630 -9.405 1.00 0.00 C ATOM 656 NZ LYS A 45 -14.022 10.161 -8.099 1.00 0.00 N ATOM 0 H LYS A 45 -13.983 3.846 -11.751 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.492 6.183 -13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.058 6.317 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.992 5.550 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.504 7.584 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.604 8.351 -11.384 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.416 7.670 -9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.995 7.756 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.904 10.035 -10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.533 9.946 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.584 10.995 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.124 9.429 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.021 10.430 -8.183 1.00 0.00 H new ATOM 670 N SER A 46 -10.898 5.369 -11.330 1.00 0.00 N ATOM 671 CA SER A 46 -9.475 5.731 -11.092 1.00 0.00 C ATOM 672 C SER A 46 -8.582 4.589 -11.576 1.00 0.00 C ATOM 673 O SER A 46 -8.411 3.593 -10.903 1.00 0.00 O ATOM 674 CB SER A 46 -9.248 5.963 -9.599 1.00 0.00 C ATOM 675 OG SER A 46 -9.451 7.337 -9.303 1.00 0.00 O ATOM 0 H SER A 46 -11.182 4.460 -10.965 1.00 0.00 H new ATOM 0 HA SER A 46 -9.232 6.643 -11.636 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.933 5.348 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.237 5.665 -9.322 1.00 0.00 H new ATOM 0 HG SER A 46 -8.591 7.807 -9.323 1.00 0.00 H new ATOM 681 N ARG A 47 -8.014 4.723 -12.743 1.00 0.00 N ATOM 682 CA ARG A 47 -7.139 3.642 -13.272 1.00 0.00 C ATOM 683 C ARG A 47 -5.700 3.883 -12.814 1.00 0.00 C ATOM 684 O ARG A 47 -4.757 3.632 -13.538 1.00 0.00 O ATOM 685 CB ARG A 47 -7.195 3.638 -14.800 1.00 0.00 C ATOM 686 CG ARG A 47 -7.733 2.291 -15.286 1.00 0.00 C ATOM 687 CD ARG A 47 -7.826 2.297 -16.812 1.00 0.00 C ATOM 688 NE ARG A 47 -6.921 1.254 -17.370 1.00 0.00 N ATOM 689 CZ ARG A 47 -5.629 1.368 -17.226 1.00 0.00 C ATOM 690 NH1 ARG A 47 -5.088 2.548 -17.099 1.00 0.00 N ATOM 691 NH2 ARG A 47 -4.878 0.300 -17.211 1.00 0.00 N ATOM 0 H ARG A 47 -8.119 5.535 -13.352 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.485 2.679 -12.896 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.835 4.446 -15.153 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.201 3.815 -15.212 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.078 1.485 -14.955 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.715 2.102 -14.852 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.853 2.108 -17.125 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.550 3.278 -17.200 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.311 0.451 -17.864 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.675 3.382 -17.112 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.078 2.637 -16.986 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.301 -0.623 -17.312 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.868 0.388 -17.099 1.00 0.00 H new ATOM 705 N GLU A 48 -5.524 4.365 -11.615 1.00 0.00 N ATOM 706 CA GLU A 48 -4.147 4.615 -11.111 1.00 0.00 C ATOM 707 C GLU A 48 -3.601 3.330 -10.492 1.00 0.00 C ATOM 708 O GLU A 48 -3.055 3.330 -9.408 1.00 0.00 O ATOM 709 CB GLU A 48 -4.178 5.722 -10.054 1.00 0.00 C ATOM 710 CG GLU A 48 -4.819 6.978 -10.648 1.00 0.00 C ATOM 711 CD GLU A 48 -5.594 7.719 -9.557 1.00 0.00 C ATOM 712 OE1 GLU A 48 -6.735 7.360 -9.321 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.032 8.634 -8.977 1.00 0.00 O ATOM 0 H GLU A 48 -6.274 4.596 -10.964 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.506 4.927 -11.936 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.742 5.391 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.166 5.943 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.051 7.627 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.489 6.706 -11.464 1.00 0.00 H new ATOM 720 N THR A 49 -3.749 2.232 -11.178 1.00 0.00 N ATOM 721 CA THR A 49 -3.246 0.938 -10.640 1.00 0.00 C ATOM 722 C THR A 49 -1.916 0.589 -11.311 1.00 0.00 C ATOM 723 O THR A 49 -1.858 0.329 -12.496 1.00 0.00 O ATOM 724 CB THR A 49 -4.268 -0.163 -10.929 1.00 0.00 C ATOM 725 OG1 THR A 49 -4.023 -0.706 -12.219 1.00 0.00 O ATOM 726 CG2 THR A 49 -5.681 0.419 -10.877 1.00 0.00 C ATOM 0 H THR A 49 -4.198 2.175 -12.092 1.00 0.00 H new ATOM 0 HA THR A 49 -3.097 1.024 -9.564 1.00 0.00 H new ATOM 0 HB THR A 49 -4.177 -0.949 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.586 -0.032 -12.780 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.406 -0.368 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.867 0.834 -9.886 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.778 1.207 -11.624 1.00 0.00 H new ATOM 734 N ARG A 50 -0.846 0.581 -10.564 1.00 0.00 N ATOM 735 CA ARG A 50 0.477 0.246 -11.162 1.00 0.00 C ATOM 736 C ARG A 50 1.464 -0.109 -10.050 1.00 0.00 C ATOM 737 O ARG A 50 1.141 -0.051 -8.880 1.00 0.00 O ATOM 738 CB ARG A 50 1.002 1.452 -11.945 1.00 0.00 C ATOM 739 CG ARG A 50 0.799 2.724 -11.121 1.00 0.00 C ATOM 740 CD ARG A 50 2.062 3.584 -11.190 1.00 0.00 C ATOM 741 NE ARG A 50 1.751 4.963 -10.717 1.00 0.00 N ATOM 742 CZ ARG A 50 2.078 5.994 -11.448 1.00 0.00 C ATOM 743 NH1 ARG A 50 3.211 6.001 -12.094 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.272 7.016 -11.533 1.00 0.00 N ATOM 0 H ARG A 50 -0.831 0.792 -9.566 1.00 0.00 H new ATOM 0 HA ARG A 50 0.367 -0.605 -11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.060 1.319 -12.173 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.479 1.536 -12.898 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.056 3.283 -11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.577 2.467 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.847 3.145 -10.574 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.438 3.615 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 50 1.282 5.101 -9.822 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.841 5.201 -12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.467 6.806 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.386 7.010 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.528 7.821 -12.104 1.00 0.00 H new ATOM 758 N ALA A 51 2.666 -0.474 -10.402 1.00 0.00 N ATOM 759 CA ALA A 51 3.669 -0.831 -9.360 1.00 0.00 C ATOM 760 C ALA A 51 3.809 0.333 -8.373 1.00 0.00 C ATOM 761 O ALA A 51 3.918 1.472 -8.782 1.00 0.00 O ATOM 762 CB ALA A 51 5.022 -1.097 -10.023 1.00 0.00 C ATOM 0 H ALA A 51 2.996 -0.540 -11.365 1.00 0.00 H new ATOM 0 HA ALA A 51 3.341 -1.725 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.756 -1.358 -9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.925 -1.921 -10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.351 -0.202 -10.551 1.00 0.00 H new ATOM 768 N PRO A 52 3.807 0.019 -7.100 1.00 0.00 N ATOM 769 CA PRO A 52 3.939 1.030 -6.062 1.00 0.00 C ATOM 770 C PRO A 52 5.376 1.552 -6.022 1.00 0.00 C ATOM 771 O PRO A 52 6.259 1.012 -6.659 1.00 0.00 O ATOM 772 CB PRO A 52 3.597 0.297 -4.770 1.00 0.00 C ATOM 773 CG PRO A 52 3.943 -1.191 -5.093 1.00 0.00 C ATOM 774 CD PRO A 52 3.675 -1.364 -6.615 1.00 0.00 C ATOM 0 HA PRO A 52 3.293 1.893 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.181 0.672 -3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.546 0.417 -4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.982 -1.413 -4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.327 -1.873 -4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.396 -2.033 -7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.685 -1.774 -6.812 1.00 0.00 H new ATOM 782 N LEU A 53 5.622 2.593 -5.280 1.00 0.00 N ATOM 783 CA LEU A 53 7.008 3.132 -5.203 1.00 0.00 C ATOM 784 C LEU A 53 7.704 2.541 -3.979 1.00 0.00 C ATOM 785 O LEU A 53 7.103 2.368 -2.937 1.00 0.00 O ATOM 786 CB LEU A 53 6.963 4.656 -5.087 1.00 0.00 C ATOM 787 CG LEU A 53 7.670 5.265 -6.296 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.271 6.732 -6.449 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.183 5.170 -6.101 1.00 0.00 C ATOM 0 H LEU A 53 4.927 3.093 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 53 7.558 2.862 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.930 5.000 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.447 4.978 -4.165 1.00 0.00 H new ATOM 0 HG LEU A 53 7.379 4.718 -7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.779 7.159 -7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.193 6.803 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.556 7.282 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.689 5.604 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.469 5.714 -5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.472 4.124 -6.000 1.00 0.00 H new ATOM 801 N VAL A 54 8.964 2.222 -4.089 1.00 0.00 N ATOM 802 CA VAL A 54 9.677 1.639 -2.921 1.00 0.00 C ATOM 803 C VAL A 54 9.528 2.579 -1.724 1.00 0.00 C ATOM 804 O VAL A 54 9.342 2.148 -0.602 1.00 0.00 O ATOM 805 CB VAL A 54 11.157 1.456 -3.256 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.781 0.464 -2.273 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.294 0.909 -4.679 1.00 0.00 C ATOM 0 H VAL A 54 9.527 2.339 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 54 9.248 0.667 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 54 11.667 2.416 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.837 0.332 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.682 0.847 -1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.269 -0.495 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.349 0.778 -4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.784 -0.052 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 54 10.846 1.610 -5.383 1.00 0.00 H new ATOM 817 N GLU A 55 9.593 3.863 -1.953 1.00 0.00 N ATOM 818 CA GLU A 55 9.439 4.824 -0.827 1.00 0.00 C ATOM 819 C GLU A 55 8.009 4.735 -0.295 1.00 0.00 C ATOM 820 O GLU A 55 7.773 4.794 0.895 1.00 0.00 O ATOM 821 CB GLU A 55 9.720 6.246 -1.318 1.00 0.00 C ATOM 822 CG GLU A 55 8.919 6.519 -2.593 1.00 0.00 C ATOM 823 CD GLU A 55 8.992 8.008 -2.934 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.354 8.778 -2.060 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.683 8.352 -4.063 1.00 0.00 O ATOM 0 H GLU A 55 9.746 4.286 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 55 10.145 4.579 -0.033 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.451 6.967 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.785 6.370 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.315 5.927 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.881 6.218 -2.454 1.00 0.00 H new ATOM 832 N GLU A 56 7.053 4.576 -1.169 1.00 0.00 N ATOM 833 CA GLU A 56 5.642 4.464 -0.712 1.00 0.00 C ATOM 834 C GLU A 56 5.475 3.130 0.012 1.00 0.00 C ATOM 835 O GLU A 56 4.551 2.932 0.775 1.00 0.00 O ATOM 836 CB GLU A 56 4.703 4.514 -1.920 1.00 0.00 C ATOM 837 CG GLU A 56 4.054 5.897 -2.005 1.00 0.00 C ATOM 838 CD GLU A 56 3.011 5.903 -3.126 1.00 0.00 C ATOM 839 OE1 GLU A 56 2.145 5.045 -3.106 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.098 6.767 -3.983 1.00 0.00 O ATOM 0 H GLU A 56 7.189 4.519 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 56 5.399 5.289 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.258 4.304 -2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.935 3.745 -1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.583 6.149 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.813 6.656 -2.196 1.00 0.00 H new ATOM 847 N LEU A 57 6.377 2.215 -0.220 1.00 0.00 N ATOM 848 CA LEU A 57 6.293 0.892 0.452 1.00 0.00 C ATOM 849 C LEU A 57 6.727 1.046 1.909 1.00 0.00 C ATOM 850 O LEU A 57 6.140 0.475 2.806 1.00 0.00 O ATOM 851 CB LEU A 57 7.225 -0.095 -0.256 1.00 0.00 C ATOM 852 CG LEU A 57 6.563 -1.471 -0.321 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.996 -1.832 1.051 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.428 -1.442 -1.348 1.00 0.00 C ATOM 0 H LEU A 57 7.171 2.330 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 57 5.270 0.519 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.449 0.259 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.173 -0.162 0.277 1.00 0.00 H new ATOM 0 HG LEU A 57 7.303 -2.215 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.524 -2.813 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.802 -1.852 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.256 -1.088 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.955 -2.423 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.689 -0.697 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.831 -1.186 -2.328 1.00 0.00 H new ATOM 866 N TYR A 58 7.751 1.819 2.152 1.00 0.00 N ATOM 867 CA TYR A 58 8.220 2.015 3.551 1.00 0.00 C ATOM 868 C TYR A 58 7.160 2.792 4.335 1.00 0.00 C ATOM 869 O TYR A 58 6.919 2.535 5.498 1.00 0.00 O ATOM 870 CB TYR A 58 9.531 2.804 3.543 1.00 0.00 C ATOM 871 CG TYR A 58 10.217 2.656 4.880 1.00 0.00 C ATOM 872 CD1 TYR A 58 9.615 3.165 6.036 1.00 0.00 C ATOM 873 CD2 TYR A 58 11.456 2.009 4.962 1.00 0.00 C ATOM 874 CE1 TYR A 58 10.252 3.027 7.275 1.00 0.00 C ATOM 875 CE2 TYR A 58 12.093 1.872 6.201 1.00 0.00 C ATOM 876 CZ TYR A 58 11.490 2.380 7.358 1.00 0.00 C ATOM 877 OH TYR A 58 12.118 2.246 8.579 1.00 0.00 O ATOM 0 H TYR A 58 8.282 2.322 1.441 1.00 0.00 H new ATOM 0 HA TYR A 58 8.384 1.046 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.181 2.441 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.333 3.856 3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.659 3.664 5.972 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.920 1.616 4.070 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.788 3.420 8.167 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.049 1.374 6.264 1.00 0.00 H new ATOM 0 HH TYR A 58 12.967 1.772 8.460 1.00 0.00 H new ATOM 887 N ARG A 59 6.524 3.742 3.705 1.00 0.00 N ATOM 888 CA ARG A 59 5.479 4.536 4.411 1.00 0.00 C ATOM 889 C ARG A 59 4.348 3.609 4.863 1.00 0.00 C ATOM 890 O ARG A 59 4.029 3.530 6.034 1.00 0.00 O ATOM 891 CB ARG A 59 4.917 5.598 3.462 1.00 0.00 C ATOM 892 CG ARG A 59 4.114 6.625 4.261 1.00 0.00 C ATOM 893 CD ARG A 59 3.369 7.551 3.297 1.00 0.00 C ATOM 894 NE ARG A 59 2.802 8.703 4.053 1.00 0.00 N ATOM 895 CZ ARG A 59 2.305 9.724 3.409 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.850 9.571 2.196 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.264 10.897 3.979 1.00 0.00 N ATOM 0 H ARG A 59 6.683 4.002 2.732 1.00 0.00 H new ATOM 0 HA ARG A 59 5.920 5.021 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.730 6.091 2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.282 5.129 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.405 6.119 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.779 7.206 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.047 7.909 2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.571 7.004 2.794 1.00 0.00 H new ATOM 0 HE ARG A 59 2.802 8.694 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.883 8.654 1.751 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.462 10.369 1.693 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.620 11.016 4.927 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.876 11.695 3.476 1.00 0.00 H new ATOM 911 N PHE A 60 3.739 2.908 3.946 1.00 0.00 N ATOM 912 CA PHE A 60 2.629 1.989 4.327 1.00 0.00 C ATOM 913 C PHE A 60 3.202 0.615 4.681 1.00 0.00 C ATOM 914 O PHE A 60 2.495 -0.371 4.721 1.00 0.00 O ATOM 915 CB PHE A 60 1.656 1.848 3.154 1.00 0.00 C ATOM 916 CG PHE A 60 1.042 3.191 2.836 1.00 0.00 C ATOM 917 CD1 PHE A 60 0.771 4.101 3.864 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.741 3.523 1.510 1.00 0.00 C ATOM 919 CE1 PHE A 60 0.199 5.343 3.568 1.00 0.00 C ATOM 920 CE2 PHE A 60 0.170 4.764 1.213 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.101 5.675 2.242 1.00 0.00 C ATOM 0 H PHE A 60 3.962 2.932 2.951 1.00 0.00 H new ATOM 0 HA PHE A 60 2.102 2.396 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.179 1.461 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.874 1.130 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.004 3.844 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.950 2.821 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.011 6.045 4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.062 5.020 0.190 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.542 6.634 2.012 1.00 0.00 H new ATOM 931 N ARG A 61 4.478 0.543 4.941 1.00 0.00 N ATOM 932 CA ARG A 61 5.092 -0.768 5.295 1.00 0.00 C ATOM 933 C ARG A 61 4.390 -1.344 6.527 1.00 0.00 C ATOM 934 O ARG A 61 4.115 -2.525 6.601 1.00 0.00 O ATOM 935 CB ARG A 61 6.579 -0.569 5.599 1.00 0.00 C ATOM 936 CG ARG A 61 7.218 -1.919 5.931 1.00 0.00 C ATOM 937 CD ARG A 61 7.315 -2.080 7.450 1.00 0.00 C ATOM 938 NE ARG A 61 8.735 -2.312 7.836 1.00 0.00 N ATOM 939 CZ ARG A 61 9.029 -3.221 8.725 1.00 0.00 C ATOM 940 NH1 ARG A 61 8.289 -3.355 9.792 1.00 0.00 N ATOM 941 NH2 ARG A 61 10.064 -3.997 8.547 1.00 0.00 N ATOM 0 H ARG A 61 5.122 1.334 4.924 1.00 0.00 H new ATOM 0 HA ARG A 61 4.982 -1.459 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.079 -0.119 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.701 0.119 6.436 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.624 -2.728 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.210 -1.983 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.934 -1.187 7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.697 -2.916 7.778 1.00 0.00 H new ATOM 0 HE ARG A 61 9.477 -1.761 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.480 -2.749 9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.519 -4.066 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.642 -3.893 7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.294 -4.708 9.242 1.00 0.00 H new ATOM 955 N ASP A 62 4.099 -0.518 7.494 1.00 0.00 N ATOM 956 CA ASP A 62 3.417 -1.017 8.721 1.00 0.00 C ATOM 957 C ASP A 62 1.972 -1.399 8.388 1.00 0.00 C ATOM 958 O ASP A 62 1.350 -2.175 9.086 1.00 0.00 O ATOM 959 CB ASP A 62 3.421 0.079 9.788 1.00 0.00 C ATOM 960 CG ASP A 62 3.033 1.414 9.151 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.846 1.663 9.020 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.930 2.166 8.804 1.00 0.00 O ATOM 0 H ASP A 62 4.304 0.481 7.487 1.00 0.00 H new ATOM 0 HA ASP A 62 3.945 -1.893 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.721 -0.172 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.409 0.155 10.243 1.00 0.00 H new ATOM 967 N ARG A 63 1.433 -0.861 7.328 1.00 0.00 N ATOM 968 CA ARG A 63 0.030 -1.195 6.956 1.00 0.00 C ATOM 969 C ARG A 63 0.023 -2.411 6.029 1.00 0.00 C ATOM 970 O ARG A 63 -1.007 -3.003 5.771 1.00 0.00 O ATOM 971 CB ARG A 63 -0.607 -0.002 6.238 1.00 0.00 C ATOM 972 CG ARG A 63 -1.993 0.267 6.827 1.00 0.00 C ATOM 973 CD ARG A 63 -2.488 1.639 6.366 1.00 0.00 C ATOM 974 NE ARG A 63 -2.160 2.659 7.400 1.00 0.00 N ATOM 975 CZ ARG A 63 -1.406 3.680 7.096 1.00 0.00 C ATOM 976 NH1 ARG A 63 -1.468 4.203 5.902 1.00 0.00 N ATOM 977 NH2 ARG A 63 -0.590 4.176 7.985 1.00 0.00 N ATOM 0 H ARG A 63 1.904 -0.205 6.704 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.539 -1.422 7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.024 0.880 6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.687 -0.207 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.691 -0.508 6.510 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.950 0.231 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.023 1.905 5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.564 1.611 6.196 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.525 2.560 8.347 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.105 3.814 5.207 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.879 5.001 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.541 3.766 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.001 4.974 7.747 1.00 0.00 H new ATOM 991 N LEU A 64 1.165 -2.792 5.525 1.00 0.00 N ATOM 992 CA LEU A 64 1.224 -3.971 4.617 1.00 0.00 C ATOM 993 C LEU A 64 1.246 -5.255 5.449 1.00 0.00 C ATOM 994 O LEU A 64 1.795 -5.277 6.532 1.00 0.00 O ATOM 995 CB LEU A 64 2.507 -3.913 3.781 1.00 0.00 C ATOM 996 CG LEU A 64 2.298 -3.058 2.528 1.00 0.00 C ATOM 997 CD1 LEU A 64 3.511 -3.217 1.608 1.00 0.00 C ATOM 998 CD2 LEU A 64 1.044 -3.519 1.785 1.00 0.00 C ATOM 0 H LEU A 64 2.060 -2.337 5.703 1.00 0.00 H new ATOM 0 HA LEU A 64 0.351 -3.961 3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.318 -3.498 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.806 -4.921 3.494 1.00 0.00 H new ATOM 0 HG LEU A 64 2.180 -2.014 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.371 -2.611 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.410 -2.889 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.618 -4.264 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.902 -2.906 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.158 -4.563 1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.177 -3.418 2.437 1.00 0.00 H new ATOM 1010 N PRO A 65 0.672 -6.301 4.904 1.00 0.00 N ATOM 1011 CA PRO A 65 0.646 -7.597 5.562 1.00 0.00 C ATOM 1012 C PRO A 65 1.973 -8.332 5.316 1.00 0.00 C ATOM 1013 O PRO A 65 2.034 -9.545 5.351 1.00 0.00 O ATOM 1014 CB PRO A 65 -0.498 -8.336 4.883 1.00 0.00 C ATOM 1015 CG PRO A 65 -0.556 -7.699 3.457 1.00 0.00 C ATOM 1016 CD PRO A 65 -0.004 -6.248 3.600 1.00 0.00 C ATOM 0 HA PRO A 65 0.514 -7.523 6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.309 -9.408 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.437 -8.201 5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.042 -8.274 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.578 -7.690 3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.685 -5.993 2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.802 -5.505 3.585 1.00 0.00 H new ATOM 1024 N GLU A 66 3.030 -7.599 5.054 1.00 0.00 N ATOM 1025 CA GLU A 66 4.357 -8.218 4.796 1.00 0.00 C ATOM 1026 C GLU A 66 4.334 -9.009 3.479 1.00 0.00 C ATOM 1027 O GLU A 66 5.325 -9.579 3.077 1.00 0.00 O ATOM 1028 CB GLU A 66 4.722 -9.131 5.967 1.00 0.00 C ATOM 1029 CG GLU A 66 5.830 -10.105 5.554 1.00 0.00 C ATOM 1030 CD GLU A 66 5.205 -11.356 4.935 1.00 0.00 C ATOM 1031 OE1 GLU A 66 3.996 -11.367 4.764 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.944 -12.281 4.641 1.00 0.00 O ATOM 0 H GLU A 66 3.022 -6.580 5.009 1.00 0.00 H new ATOM 0 HA GLU A 66 5.110 -7.435 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.052 -8.532 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.842 -9.686 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.500 -9.628 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.431 -10.377 6.421 1.00 0.00 H new ATOM 1039 N LYS A 67 3.227 -9.025 2.784 1.00 0.00 N ATOM 1040 CA LYS A 67 3.175 -9.771 1.492 1.00 0.00 C ATOM 1041 C LYS A 67 4.037 -9.062 0.440 1.00 0.00 C ATOM 1042 O LYS A 67 4.107 -9.482 -0.699 1.00 0.00 O ATOM 1043 CB LYS A 67 1.727 -9.836 1.001 1.00 0.00 C ATOM 1044 CG LYS A 67 1.535 -11.089 0.143 1.00 0.00 C ATOM 1045 CD LYS A 67 0.261 -10.946 -0.692 1.00 0.00 C ATOM 1046 CE LYS A 67 -0.685 -12.107 -0.385 1.00 0.00 C ATOM 1047 NZ LYS A 67 -0.544 -13.154 -1.435 1.00 0.00 N ATOM 0 H LYS A 67 2.362 -8.557 3.053 1.00 0.00 H new ATOM 0 HA LYS A 67 3.558 -10.780 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.044 -9.856 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.488 -8.945 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.396 -11.231 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.468 -11.972 0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.227 -9.997 -0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.509 -10.936 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.457 -12.527 0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.715 -11.751 -0.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.188 -13.944 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.782 -12.749 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.436 -13.501 -1.450 1.00 0.00 H new ATOM 1061 N LEU A 68 4.696 -7.996 0.805 1.00 0.00 N ATOM 1062 CA LEU A 68 5.550 -7.272 -0.177 1.00 0.00 C ATOM 1063 C LEU A 68 6.720 -6.616 0.559 1.00 0.00 C ATOM 1064 O LEU A 68 7.378 -5.739 0.039 1.00 0.00 O ATOM 1065 CB LEU A 68 4.732 -6.186 -0.887 1.00 0.00 C ATOM 1066 CG LEU A 68 3.255 -6.583 -0.922 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.631 -6.343 0.454 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.526 -5.735 -1.966 1.00 0.00 C ATOM 0 H LEU A 68 4.679 -7.595 1.743 1.00 0.00 H new ATOM 0 HA LEU A 68 5.923 -7.981 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.849 -5.234 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.103 -6.045 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 68 3.167 -7.638 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.578 -6.625 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.152 -6.944 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.718 -5.288 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.473 -6.016 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.613 -4.681 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.971 -5.903 -2.947 1.00 0.00 H new ATOM 1080 N ARG A 69 6.984 -7.033 1.769 1.00 0.00 N ATOM 1081 CA ARG A 69 8.111 -6.426 2.532 1.00 0.00 C ATOM 1082 C ARG A 69 9.362 -6.397 1.651 1.00 0.00 C ATOM 1083 O ARG A 69 9.989 -5.371 1.479 1.00 0.00 O ATOM 1084 CB ARG A 69 8.388 -7.260 3.785 1.00 0.00 C ATOM 1085 CG ARG A 69 9.398 -6.530 4.671 1.00 0.00 C ATOM 1086 CD ARG A 69 8.904 -6.530 6.118 1.00 0.00 C ATOM 1087 NE ARG A 69 10.042 -6.826 7.032 1.00 0.00 N ATOM 1088 CZ ARG A 69 10.056 -7.934 7.719 1.00 0.00 C ATOM 1089 NH1 ARG A 69 9.689 -9.054 7.159 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.437 -7.924 8.967 1.00 0.00 N ATOM 0 H ARG A 69 6.470 -7.765 2.259 1.00 0.00 H new ATOM 0 HA ARG A 69 7.847 -5.410 2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.462 -7.429 4.334 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.775 -8.239 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.371 -7.017 4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.531 -5.506 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.468 -5.562 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.118 -7.275 6.245 1.00 0.00 H new ATOM 0 HE ARG A 69 10.811 -6.162 7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.391 -9.063 6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.700 -9.921 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.724 -7.049 9.406 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.448 -8.791 9.504 1.00 0.00 H new ATOM 1104 N TYR A 70 9.727 -7.516 1.091 1.00 0.00 N ATOM 1105 CA TYR A 70 10.935 -7.557 0.220 1.00 0.00 C ATOM 1106 C TYR A 70 10.927 -6.353 -0.723 1.00 0.00 C ATOM 1107 O TYR A 70 11.942 -5.728 -0.958 1.00 0.00 O ATOM 1108 CB TYR A 70 10.918 -8.845 -0.603 1.00 0.00 C ATOM 1109 CG TYR A 70 9.559 -9.021 -1.238 1.00 0.00 C ATOM 1110 CD1 TYR A 70 8.545 -9.695 -0.547 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.316 -8.515 -2.521 1.00 0.00 C ATOM 1112 CE1 TYR A 70 7.288 -9.864 -1.139 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.059 -8.683 -3.112 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.045 -9.357 -2.423 1.00 0.00 C ATOM 1115 OH TYR A 70 5.805 -9.523 -3.006 1.00 0.00 O ATOM 0 H TYR A 70 9.240 -8.406 1.199 1.00 0.00 H new ATOM 0 HA TYR A 70 11.832 -7.527 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.688 -8.807 -1.373 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.146 -9.699 0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.733 -10.084 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 70 10.098 -7.995 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.506 -10.385 -0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.871 -8.292 -4.101 1.00 0.00 H new ATOM 0 HH TYR A 70 5.116 -9.544 -2.309 1.00 0.00 H new ATOM 1125 N LEU A 71 9.786 -6.025 -1.264 1.00 0.00 N ATOM 1126 CA LEU A 71 9.706 -4.861 -2.190 1.00 0.00 C ATOM 1127 C LEU A 71 10.049 -3.585 -1.421 1.00 0.00 C ATOM 1128 O LEU A 71 10.791 -2.744 -1.890 1.00 0.00 O ATOM 1129 CB LEU A 71 8.286 -4.755 -2.748 1.00 0.00 C ATOM 1130 CG LEU A 71 8.205 -5.487 -4.087 1.00 0.00 C ATOM 1131 CD1 LEU A 71 6.810 -6.095 -4.252 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.463 -4.494 -5.220 1.00 0.00 C ATOM 0 H LEU A 71 8.905 -6.514 -1.104 1.00 0.00 H new ATOM 0 HA LEU A 71 10.410 -4.994 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.575 -5.185 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.013 -3.708 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 71 8.952 -6.280 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.751 -6.617 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.622 -6.799 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.062 -5.302 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.406 -5.012 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.712 -3.704 -5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.455 -4.057 -5.102 1.00 0.00 H new ATOM 1144 N ALA A 72 9.520 -3.438 -0.237 1.00 0.00 N ATOM 1145 CA ALA A 72 9.817 -2.222 0.568 1.00 0.00 C ATOM 1146 C ALA A 72 11.258 -2.290 1.078 1.00 0.00 C ATOM 1147 O ALA A 72 11.750 -1.371 1.700 1.00 0.00 O ATOM 1148 CB ALA A 72 8.860 -2.153 1.758 1.00 0.00 C ATOM 0 H ALA A 72 8.894 -4.110 0.207 1.00 0.00 H new ATOM 0 HA ALA A 72 9.691 -1.335 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.077 -1.263 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.833 -2.107 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.987 -3.040 2.379 1.00 0.00 H new ATOM 1154 N ASP A 73 11.940 -3.375 0.821 1.00 0.00 N ATOM 1155 CA ASP A 73 13.346 -3.499 1.293 1.00 0.00 C ATOM 1156 C ASP A 73 14.291 -2.922 0.237 1.00 0.00 C ATOM 1157 O ASP A 73 15.407 -2.541 0.531 1.00 0.00 O ATOM 1158 CB ASP A 73 13.679 -4.974 1.525 1.00 0.00 C ATOM 1159 CG ASP A 73 14.055 -5.189 2.992 1.00 0.00 C ATOM 1160 OD1 ASP A 73 13.209 -4.957 3.840 1.00 0.00 O ATOM 1161 OD2 ASP A 73 15.182 -5.583 3.242 1.00 0.00 O ATOM 0 H ASP A 73 11.583 -4.179 0.305 1.00 0.00 H new ATOM 0 HA ASP A 73 13.465 -2.949 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.823 -5.596 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.503 -5.277 0.879 1.00 0.00 H new ATOM 1166 N ALA A 74 13.854 -2.856 -0.990 1.00 0.00 N ATOM 1167 CA ALA A 74 14.728 -2.304 -2.062 1.00 0.00 C ATOM 1168 C ALA A 74 14.901 -0.794 -1.849 1.00 0.00 C ATOM 1169 O ALA A 74 14.100 -0.171 -1.181 1.00 0.00 O ATOM 1170 CB ALA A 74 14.083 -2.553 -3.427 1.00 0.00 C ATOM 0 H ALA A 74 12.930 -3.160 -1.296 1.00 0.00 H new ATOM 0 HA ALA A 74 15.701 -2.793 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.723 -2.149 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.956 -3.625 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.110 -2.063 -3.464 1.00 0.00 H new ATOM 1176 N PRO A 75 15.943 -0.253 -2.428 1.00 0.00 N ATOM 1177 CA PRO A 75 16.232 1.170 -2.319 1.00 0.00 C ATOM 1178 C PRO A 75 14.971 1.990 -2.611 1.00 0.00 C ATOM 1179 O PRO A 75 13.990 1.476 -3.109 1.00 0.00 O ATOM 1180 CB PRO A 75 17.302 1.422 -3.375 1.00 0.00 C ATOM 1181 CG PRO A 75 17.997 0.032 -3.530 1.00 0.00 C ATOM 1182 CD PRO A 75 16.899 -1.030 -3.230 1.00 0.00 C ATOM 0 HA PRO A 75 16.565 1.458 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.866 1.760 -4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.007 2.190 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.398 -0.094 -4.536 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.834 -0.065 -2.839 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.447 -1.420 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.295 -1.884 -2.681 1.00 0.00 H new ATOM 1190 N GLN A 76 14.985 3.260 -2.302 1.00 0.00 N ATOM 1191 CA GLN A 76 13.778 4.097 -2.560 1.00 0.00 C ATOM 1192 C GLN A 76 14.182 5.412 -3.229 1.00 0.00 C ATOM 1193 O GLN A 76 13.478 6.399 -3.147 1.00 0.00 O ATOM 1194 CB GLN A 76 13.074 4.400 -1.236 1.00 0.00 C ATOM 1195 CG GLN A 76 12.677 3.089 -0.554 1.00 0.00 C ATOM 1196 CD GLN A 76 12.375 3.352 0.922 1.00 0.00 C ATOM 1197 OE1 GLN A 76 11.963 4.536 1.289 1.00 0.00 O flip ATOM 1198 NE2 GLN A 76 12.515 2.474 1.749 1.00 0.00 N flip ATOM 0 H GLN A 76 15.776 3.751 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 76 13.104 3.551 -3.221 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.733 4.975 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.189 5.011 -1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.802 2.662 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.482 2.360 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.837 1.550 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.311 2.661 2.731 1.00 0.00 H new ATOM 1207 N GLN A 77 15.297 5.437 -3.904 1.00 0.00 N ATOM 1208 CA GLN A 77 15.717 6.696 -4.583 1.00 0.00 C ATOM 1209 C GLN A 77 17.168 6.585 -5.065 1.00 0.00 C ATOM 1210 O GLN A 77 17.591 7.315 -5.938 1.00 0.00 O ATOM 1211 CB GLN A 77 15.616 7.869 -3.601 1.00 0.00 C ATOM 1212 CG GLN A 77 15.931 7.381 -2.186 1.00 0.00 C ATOM 1213 CD GLN A 77 16.554 8.521 -1.379 1.00 0.00 C ATOM 1214 OE1 GLN A 77 15.854 9.361 -0.850 1.00 0.00 O ATOM 1215 NE2 GLN A 77 17.853 8.586 -1.263 1.00 0.00 N ATOM 0 H GLN A 77 15.932 4.647 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 77 15.062 6.862 -5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.311 8.658 -3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.615 8.299 -3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.020 7.032 -1.699 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.615 6.534 -2.226 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.441 7.881 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.280 9.342 -0.728 1.00 0.00 H new ATOM 1224 N ASP A 78 17.938 5.695 -4.492 1.00 0.00 N ATOM 1225 CA ASP A 78 19.366 5.552 -4.908 1.00 0.00 C ATOM 1226 C ASP A 78 20.204 6.633 -4.211 1.00 0.00 C ATOM 1227 O ASP A 78 19.675 7.636 -3.774 1.00 0.00 O ATOM 1228 CB ASP A 78 19.486 5.707 -6.427 1.00 0.00 C ATOM 1229 CG ASP A 78 20.344 4.573 -6.988 1.00 0.00 C ATOM 1230 OD1 ASP A 78 20.195 3.458 -6.517 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.137 4.840 -7.874 1.00 0.00 O ATOM 0 H ASP A 78 17.638 5.060 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 78 19.729 4.564 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 78 18.497 5.690 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 78 19.933 6.671 -6.671 1.00 0.00 H new ATOM 1236 N PRO A 79 21.491 6.390 -4.123 1.00 0.00 N ATOM 1237 CA PRO A 79 22.417 7.318 -3.481 1.00 0.00 C ATOM 1238 C PRO A 79 22.295 8.727 -4.079 1.00 0.00 C ATOM 1239 O PRO A 79 22.788 9.687 -3.520 1.00 0.00 O ATOM 1240 CB PRO A 79 23.799 6.737 -3.768 1.00 0.00 C ATOM 1241 CG PRO A 79 23.512 5.221 -3.996 1.00 0.00 C ATOM 1242 CD PRO A 79 22.106 5.164 -4.653 1.00 0.00 C ATOM 0 HA PRO A 79 22.216 7.422 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.254 7.196 -4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 79 24.483 6.896 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.266 4.771 -4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.529 4.672 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 79 22.160 5.169 -5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.554 4.269 -4.365 1.00 0.00 H new ATOM 1250 N GLU A 80 21.652 8.866 -5.208 1.00 0.00 N ATOM 1251 CA GLU A 80 21.520 10.218 -5.822 1.00 0.00 C ATOM 1252 C GLU A 80 20.259 10.903 -5.288 1.00 0.00 C ATOM 1253 O GLU A 80 20.219 12.106 -5.124 1.00 0.00 O ATOM 1254 CB GLU A 80 21.419 10.079 -7.342 1.00 0.00 C ATOM 1255 CG GLU A 80 21.416 11.469 -7.983 1.00 0.00 C ATOM 1256 CD GLU A 80 22.853 11.890 -8.295 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.757 11.158 -7.930 1.00 0.00 O ATOM 1258 OE2 GLU A 80 23.025 12.939 -8.896 1.00 0.00 O ATOM 0 H GLU A 80 21.215 8.106 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 80 22.394 10.818 -5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.257 9.494 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.509 9.542 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.822 11.458 -8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.952 12.190 -7.310 1.00 0.00 H new ATOM 1265 N GLY A 81 19.231 10.150 -5.012 1.00 0.00 N ATOM 1266 CA GLY A 81 17.979 10.763 -4.484 1.00 0.00 C ATOM 1267 C GLY A 81 16.821 10.470 -5.438 1.00 0.00 C ATOM 1268 O GLY A 81 15.699 10.268 -5.016 1.00 0.00 O ATOM 0 H GLY A 81 19.203 9.137 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.757 10.365 -3.494 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.108 11.840 -4.373 1.00 0.00 H new ATOM 1272 N ASN A 82 17.080 10.448 -6.718 1.00 0.00 N ATOM 1273 CA ASN A 82 15.980 10.162 -7.688 1.00 0.00 C ATOM 1274 C ASN A 82 15.152 8.993 -7.153 1.00 0.00 C ATOM 1275 O ASN A 82 15.554 7.850 -7.229 1.00 0.00 O ATOM 1276 CB ASN A 82 16.555 9.801 -9.066 1.00 0.00 C ATOM 1277 CG ASN A 82 18.000 9.314 -8.932 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.920 9.980 -9.363 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.239 8.174 -8.348 1.00 0.00 N ATOM 0 H ASN A 82 17.997 10.614 -7.133 1.00 0.00 H new ATOM 0 HA ASN A 82 15.356 11.049 -7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.945 9.026 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.517 10.671 -9.722 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.198 7.841 -8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 82 17.467 7.615 -7.986 1.00 0.00 H new ATOM 1286 N LYS A 83 14.007 9.281 -6.591 1.00 0.00 N ATOM 1287 CA LYS A 83 13.149 8.204 -6.022 1.00 0.00 C ATOM 1288 C LYS A 83 13.202 6.954 -6.891 1.00 0.00 C ATOM 1289 O LYS A 83 13.414 7.018 -8.086 1.00 0.00 O ATOM 1290 CB LYS A 83 11.713 8.696 -5.926 1.00 0.00 C ATOM 1291 CG LYS A 83 11.555 9.478 -4.627 1.00 0.00 C ATOM 1292 CD LYS A 83 11.389 10.963 -4.943 1.00 0.00 C ATOM 1293 CE LYS A 83 9.996 11.427 -4.514 1.00 0.00 C ATOM 1294 NZ LYS A 83 10.029 12.886 -4.215 1.00 0.00 N ATOM 0 H LYS A 83 13.628 10.224 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 83 13.521 7.952 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.471 9.328 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.022 7.853 -5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.689 9.114 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.427 9.326 -3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.152 11.543 -4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.528 11.136 -6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.274 11.223 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.671 10.872 -3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.082 13.202 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.707 13.068 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.321 13.408 -5.066 1.00 0.00 H new ATOM 1308 N THR A 84 13.014 5.815 -6.291 1.00 0.00 N ATOM 1309 CA THR A 84 13.057 4.549 -7.067 1.00 0.00 C ATOM 1310 C THR A 84 11.727 3.809 -6.918 1.00 0.00 C ATOM 1311 O THR A 84 11.244 3.580 -5.824 1.00 0.00 O ATOM 1312 CB THR A 84 14.202 3.683 -6.544 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.254 4.521 -6.095 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.719 2.796 -7.665 1.00 0.00 C ATOM 0 H THR A 84 12.832 5.706 -5.293 1.00 0.00 H new ATOM 0 HA THR A 84 13.221 4.767 -8.122 1.00 0.00 H new ATOM 0 HB THR A 84 13.843 3.064 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.048 3.978 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.536 2.178 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.913 2.155 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 84 15.079 3.418 -8.484 1.00 0.00 H new ATOM 1322 N MET A 85 11.125 3.442 -8.015 1.00 0.00 N ATOM 1323 CA MET A 85 9.819 2.729 -7.952 1.00 0.00 C ATOM 1324 C MET A 85 10.024 1.241 -8.254 1.00 0.00 C ATOM 1325 O MET A 85 10.885 0.869 -9.016 1.00 0.00 O ATOM 1326 CB MET A 85 8.871 3.339 -8.992 1.00 0.00 C ATOM 1327 CG MET A 85 7.786 2.326 -9.357 1.00 0.00 C ATOM 1328 SD MET A 85 6.344 3.179 -10.033 1.00 0.00 S ATOM 1329 CE MET A 85 6.319 2.300 -11.613 1.00 0.00 C ATOM 0 H MET A 85 11.483 3.606 -8.956 1.00 0.00 H new ATOM 0 HA MET A 85 9.392 2.832 -6.954 1.00 0.00 H new ATOM 0 HB2 MET A 85 8.416 4.247 -8.595 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.429 3.626 -9.883 1.00 0.00 H new ATOM 0 HG2 MET A 85 8.172 1.614 -10.086 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.500 1.754 -8.474 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.309 3.021 -12.430 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.206 1.672 -11.694 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.427 1.677 -11.668 1.00 0.00 H new ATOM 1339 N VAL A 86 9.220 0.391 -7.679 1.00 0.00 N ATOM 1340 CA VAL A 86 9.365 -1.066 -7.955 1.00 0.00 C ATOM 1341 C VAL A 86 8.646 -1.408 -9.262 1.00 0.00 C ATOM 1342 O VAL A 86 7.565 -0.927 -9.535 1.00 0.00 O ATOM 1343 CB VAL A 86 8.761 -1.882 -6.809 1.00 0.00 C ATOM 1344 CG1 VAL A 86 9.757 -1.951 -5.651 1.00 0.00 C ATOM 1345 CG2 VAL A 86 7.466 -1.222 -6.329 1.00 0.00 C ATOM 0 H VAL A 86 8.472 0.640 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 86 10.424 -1.310 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 86 8.542 -2.890 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.327 -2.532 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.677 -2.427 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.978 -0.943 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.040 -1.807 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.680 -0.212 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.754 -1.176 -7.153 1.00 0.00 H new ATOM 1355 N ARG A 87 9.243 -2.242 -10.067 1.00 0.00 N ATOM 1356 CA ARG A 87 8.605 -2.630 -11.359 1.00 0.00 C ATOM 1357 C ARG A 87 8.428 -4.147 -11.384 1.00 0.00 C ATOM 1358 O ARG A 87 8.691 -4.825 -10.412 1.00 0.00 O ATOM 1359 CB ARG A 87 9.501 -2.207 -12.526 1.00 0.00 C ATOM 1360 CG ARG A 87 10.197 -0.889 -12.186 1.00 0.00 C ATOM 1361 CD ARG A 87 9.175 0.242 -12.235 1.00 0.00 C ATOM 1362 NE ARG A 87 9.859 1.518 -12.589 1.00 0.00 N ATOM 1363 CZ ARG A 87 9.628 2.083 -13.742 1.00 0.00 C ATOM 1364 NH1 ARG A 87 10.352 1.767 -14.781 1.00 0.00 N ATOM 1365 NH2 ARG A 87 8.672 2.965 -13.857 1.00 0.00 N ATOM 0 H ARG A 87 10.149 -2.674 -9.886 1.00 0.00 H new ATOM 0 HA ARG A 87 7.637 -2.137 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.242 -2.980 -12.727 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.906 -2.093 -13.432 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.647 -0.946 -11.195 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.005 -0.697 -12.892 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.402 0.016 -12.970 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.678 0.339 -11.270 1.00 0.00 H new ATOM 0 HE ARG A 87 10.507 1.949 -11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.099 1.078 -14.692 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.171 2.209 -15.682 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.106 3.212 -13.045 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.491 3.407 -14.758 1.00 0.00 H new ATOM 1379 N PHE A 88 7.993 -4.695 -12.483 1.00 0.00 N ATOM 1380 CA PHE A 88 7.816 -6.171 -12.542 1.00 0.00 C ATOM 1381 C PHE A 88 8.239 -6.696 -13.914 1.00 0.00 C ATOM 1382 O PHE A 88 7.618 -6.409 -14.918 1.00 0.00 O ATOM 1383 CB PHE A 88 6.350 -6.529 -12.300 1.00 0.00 C ATOM 1384 CG PHE A 88 6.194 -8.030 -12.358 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.586 -8.815 -11.268 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.660 -8.634 -13.502 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.445 -10.206 -11.322 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.518 -10.026 -13.555 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.911 -10.811 -12.465 1.00 0.00 C ATOM 0 H PHE A 88 7.754 -4.190 -13.336 1.00 0.00 H new ATOM 0 HA PHE A 88 8.437 -6.628 -11.771 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.026 -6.154 -11.329 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.718 -6.056 -13.051 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.997 -8.347 -10.386 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.358 -8.027 -14.343 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.748 -10.813 -10.482 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.105 -10.494 -14.437 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.802 -11.885 -12.506 1.00 0.00 H new ATOM 1399 N SER A 89 9.282 -7.475 -13.959 1.00 0.00 N ATOM 1400 CA SER A 89 9.735 -8.033 -15.260 1.00 0.00 C ATOM 1401 C SER A 89 9.037 -9.375 -15.488 1.00 0.00 C ATOM 1402 O SER A 89 8.965 -10.203 -14.602 1.00 0.00 O ATOM 1403 CB SER A 89 11.249 -8.242 -15.229 1.00 0.00 C ATOM 1404 OG SER A 89 11.898 -7.033 -15.599 1.00 0.00 O ATOM 0 H SER A 89 9.840 -7.749 -13.150 1.00 0.00 H new ATOM 0 HA SER A 89 9.487 -7.343 -16.067 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.565 -8.547 -14.232 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.531 -9.043 -15.912 1.00 0.00 H new ATOM 0 HG SER A 89 11.397 -6.270 -15.241 1.00 0.00 H new ATOM 1410 N ARG A 90 8.520 -9.596 -16.664 1.00 0.00 N ATOM 1411 CA ARG A 90 7.825 -10.884 -16.934 1.00 0.00 C ATOM 1412 C ARG A 90 8.839 -11.904 -17.447 1.00 0.00 C ATOM 1413 O ARG A 90 8.586 -13.093 -17.464 1.00 0.00 O ATOM 1414 CB ARG A 90 6.735 -10.667 -17.985 1.00 0.00 C ATOM 1415 CG ARG A 90 6.133 -12.016 -18.383 1.00 0.00 C ATOM 1416 CD ARG A 90 4.704 -11.807 -18.887 1.00 0.00 C ATOM 1417 NE ARG A 90 3.750 -12.515 -17.987 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.465 -12.425 -18.196 1.00 0.00 C ATOM 1419 NH1 ARG A 90 2.000 -11.535 -19.029 1.00 0.00 N ATOM 1420 NH2 ARG A 90 1.646 -13.227 -17.572 1.00 0.00 N ATOM 0 H ARG A 90 8.549 -8.943 -17.447 1.00 0.00 H new ATOM 0 HA ARG A 90 7.369 -11.254 -16.016 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.958 -10.013 -17.589 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.153 -10.171 -18.861 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.739 -12.482 -19.159 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.134 -12.693 -17.529 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.470 -10.743 -18.917 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.608 -12.184 -19.905 1.00 0.00 H new ATOM 0 HE ARG A 90 4.102 -13.070 -17.207 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.641 -10.909 -19.517 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.996 -11.465 -19.192 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.010 -13.923 -16.922 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.641 -13.158 -17.735 1.00 0.00 H new ATOM 1434 N LYS A 91 9.992 -11.452 -17.856 1.00 0.00 N ATOM 1435 CA LYS A 91 11.025 -12.400 -18.355 1.00 0.00 C ATOM 1436 C LYS A 91 11.436 -13.328 -17.212 1.00 0.00 C ATOM 1437 O LYS A 91 11.918 -14.422 -17.427 1.00 0.00 O ATOM 1438 CB LYS A 91 12.246 -11.617 -18.843 1.00 0.00 C ATOM 1439 CG LYS A 91 12.003 -11.131 -20.273 1.00 0.00 C ATOM 1440 CD LYS A 91 10.838 -10.138 -20.285 1.00 0.00 C ATOM 1441 CE LYS A 91 11.188 -8.930 -19.412 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.209 -7.700 -20.254 1.00 0.00 N ATOM 0 H LYS A 91 10.263 -10.469 -17.866 1.00 0.00 H new ATOM 0 HA LYS A 91 10.622 -12.986 -19.181 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.433 -10.768 -18.186 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.134 -12.248 -18.808 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.903 -10.657 -20.665 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.780 -11.977 -20.923 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.632 -9.815 -21.305 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.933 -10.618 -19.914 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.457 -8.823 -18.610 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.159 -9.078 -18.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.447 -6.878 -19.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.922 -7.805 -21.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.273 -7.558 -20.684 1.00 0.00 H new ATOM 1456 N THR A 92 11.244 -12.896 -15.994 1.00 0.00 N ATOM 1457 CA THR A 92 11.617 -13.749 -14.832 1.00 0.00 C ATOM 1458 C THR A 92 10.567 -13.592 -13.730 1.00 0.00 C ATOM 1459 O THR A 92 10.744 -14.059 -12.622 1.00 0.00 O ATOM 1460 CB THR A 92 12.984 -13.314 -14.298 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.094 -11.900 -14.380 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.089 -13.964 -15.131 1.00 0.00 C ATOM 0 H THR A 92 10.845 -11.988 -15.755 1.00 0.00 H new ATOM 0 HA THR A 92 11.664 -14.792 -15.146 1.00 0.00 H new ATOM 0 HB THR A 92 13.085 -13.626 -13.259 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.408 -11.546 -13.522 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.062 -13.654 -14.750 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.003 -15.049 -15.066 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.991 -13.654 -16.171 1.00 0.00 H new ATOM 1470 N LYS A 93 9.476 -12.939 -14.024 1.00 0.00 N ATOM 1471 CA LYS A 93 8.418 -12.753 -12.992 1.00 0.00 C ATOM 1472 C LYS A 93 9.065 -12.329 -11.672 1.00 0.00 C ATOM 1473 O LYS A 93 9.136 -13.096 -10.732 1.00 0.00 O ATOM 1474 CB LYS A 93 7.662 -14.068 -12.792 1.00 0.00 C ATOM 1475 CG LYS A 93 6.665 -14.263 -13.935 1.00 0.00 C ATOM 1476 CD LYS A 93 5.932 -15.593 -13.753 1.00 0.00 C ATOM 1477 CE LYS A 93 5.412 -16.081 -15.106 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.148 -16.845 -14.907 1.00 0.00 N ATOM 0 H LYS A 93 9.272 -12.526 -14.934 1.00 0.00 H new ATOM 0 HA LYS A 93 7.721 -11.982 -13.320 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.363 -14.902 -12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.138 -14.057 -11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.950 -13.441 -13.952 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.186 -14.251 -14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.604 -16.334 -13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.103 -15.471 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.236 -15.233 -15.767 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.159 -16.712 -15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.794 -17.177 -15.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.330 -17.663 -14.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.436 -16.229 -14.464 1.00 0.00 H new ATOM 1492 N GLN A 94 9.541 -11.115 -11.592 1.00 0.00 N ATOM 1493 CA GLN A 94 10.183 -10.653 -10.328 1.00 0.00 C ATOM 1494 C GLN A 94 9.897 -9.166 -10.110 1.00 0.00 C ATOM 1495 O GLN A 94 9.107 -8.564 -10.810 1.00 0.00 O ATOM 1496 CB GLN A 94 11.695 -10.871 -10.416 1.00 0.00 C ATOM 1497 CG GLN A 94 11.996 -12.371 -10.409 1.00 0.00 C ATOM 1498 CD GLN A 94 13.341 -12.625 -11.092 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.986 -11.704 -11.553 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.796 -13.846 -11.176 1.00 0.00 N ATOM 0 H GLN A 94 9.513 -10.426 -12.344 1.00 0.00 H new ATOM 0 HA GLN A 94 9.777 -11.223 -9.492 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.086 -10.415 -11.325 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.193 -10.386 -9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.020 -12.743 -9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 94 11.205 -12.914 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.255 -14.620 -10.789 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.692 -14.026 -11.628 1.00 0.00 H new ATOM 1509 N GLN A 95 10.535 -8.569 -9.137 1.00 0.00 N ATOM 1510 CA GLN A 95 10.303 -7.121 -8.866 1.00 0.00 C ATOM 1511 C GLN A 95 11.580 -6.331 -9.162 1.00 0.00 C ATOM 1512 O GLN A 95 12.548 -6.404 -8.431 1.00 0.00 O ATOM 1513 CB GLN A 95 9.933 -6.930 -7.390 1.00 0.00 C ATOM 1514 CG GLN A 95 8.411 -6.877 -7.230 1.00 0.00 C ATOM 1515 CD GLN A 95 7.826 -5.830 -8.177 1.00 0.00 C ATOM 1516 OE1 GLN A 95 8.217 -4.682 -8.147 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.896 -6.181 -9.023 1.00 0.00 N ATOM 0 H GLN A 95 11.207 -9.023 -8.518 1.00 0.00 H new ATOM 0 HA GLN A 95 9.493 -6.764 -9.502 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.340 -7.748 -6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.378 -6.010 -7.012 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.980 -7.855 -7.444 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.153 -6.633 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.567 -7.146 -9.048 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.498 -5.490 -9.659 1.00 0.00 H new ATOM 1526 N TYR A 96 11.589 -5.562 -10.218 1.00 0.00 N ATOM 1527 CA TYR A 96 12.803 -4.760 -10.541 1.00 0.00 C ATOM 1528 C TYR A 96 12.447 -3.271 -10.445 1.00 0.00 C ATOM 1529 O TYR A 96 11.632 -2.772 -11.189 1.00 0.00 O ATOM 1530 CB TYR A 96 13.307 -5.124 -11.952 1.00 0.00 C ATOM 1531 CG TYR A 96 12.691 -4.224 -13.001 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.211 -2.941 -13.210 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.605 -4.672 -13.760 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.645 -2.106 -14.180 1.00 0.00 C ATOM 1535 CE2 TYR A 96 11.038 -3.836 -14.730 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.558 -2.553 -14.939 1.00 0.00 C ATOM 1537 OH TYR A 96 10.999 -1.730 -15.896 1.00 0.00 O ATOM 0 H TYR A 96 10.811 -5.455 -10.868 1.00 0.00 H new ATOM 0 HA TYR A 96 13.603 -4.979 -9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.393 -5.038 -11.987 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.063 -6.163 -12.172 1.00 0.00 H new ATOM 0 HD1 TYR A 96 14.049 -2.596 -12.623 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.204 -5.662 -13.598 1.00 0.00 H new ATOM 0 HE1 TYR A 96 13.047 -1.117 -14.343 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.200 -4.181 -15.317 1.00 0.00 H new ATOM 0 HH TYR A 96 10.255 -2.194 -16.332 1.00 0.00 H new ATOM 1547 N VAL A 97 13.041 -2.563 -9.525 1.00 0.00 N ATOM 1548 CA VAL A 97 12.714 -1.115 -9.374 1.00 0.00 C ATOM 1549 C VAL A 97 13.620 -0.286 -10.289 1.00 0.00 C ATOM 1550 O VAL A 97 14.514 -0.803 -10.928 1.00 0.00 O ATOM 1551 CB VAL A 97 12.931 -0.701 -7.908 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.547 -1.861 -6.995 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.403 -0.355 -7.661 1.00 0.00 C ATOM 0 H VAL A 97 13.737 -2.922 -8.872 1.00 0.00 H new ATOM 0 HA VAL A 97 11.675 -0.940 -9.651 1.00 0.00 H new ATOM 0 HB VAL A 97 12.314 0.173 -7.698 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.699 -1.572 -5.955 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.499 -2.115 -7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.168 -2.726 -7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.539 -0.064 -6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 97 15.023 -1.225 -7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 97 14.696 0.471 -8.309 1.00 0.00 H new ATOM 1563 N SER A 98 13.393 0.994 -10.349 1.00 0.00 N ATOM 1564 CA SER A 98 14.236 1.859 -11.209 1.00 0.00 C ATOM 1565 C SER A 98 14.278 3.265 -10.606 1.00 0.00 C ATOM 1566 O SER A 98 13.257 3.898 -10.413 1.00 0.00 O ATOM 1567 CB SER A 98 13.644 1.904 -12.617 1.00 0.00 C ATOM 1568 OG SER A 98 14.601 2.445 -13.518 1.00 0.00 O ATOM 0 H SER A 98 12.656 1.479 -9.836 1.00 0.00 H new ATOM 0 HA SER A 98 15.249 1.461 -11.266 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.357 0.902 -12.934 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.739 2.512 -12.623 1.00 0.00 H new ATOM 0 HG SER A 98 15.496 2.131 -13.272 1.00 0.00 H new ATOM 1574 N SER A 99 15.447 3.754 -10.296 1.00 0.00 N ATOM 1575 CA SER A 99 15.556 5.115 -9.693 1.00 0.00 C ATOM 1576 C SER A 99 15.298 6.176 -10.766 1.00 0.00 C ATOM 1577 O SER A 99 16.216 6.746 -11.318 1.00 0.00 O ATOM 1578 CB SER A 99 16.959 5.305 -9.119 1.00 0.00 C ATOM 1579 OG SER A 99 17.516 4.034 -8.813 1.00 0.00 O ATOM 0 H SER A 99 16.334 3.270 -10.434 1.00 0.00 H new ATOM 0 HA SER A 99 14.818 5.218 -8.898 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.590 5.829 -9.837 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.917 5.922 -8.222 1.00 0.00 H new ATOM 0 HG SER A 99 18.493 4.082 -8.874 1.00 0.00 H new ATOM 1585 N GLU A 100 14.057 6.447 -11.066 1.00 0.00 N ATOM 1586 CA GLU A 100 13.749 7.474 -12.102 1.00 0.00 C ATOM 1587 C GLU A 100 13.554 8.833 -11.429 1.00 0.00 C ATOM 1588 O GLU A 100 12.772 8.975 -10.509 1.00 0.00 O ATOM 1589 CB GLU A 100 12.470 7.081 -12.843 1.00 0.00 C ATOM 1590 CG GLU A 100 12.709 5.790 -13.628 1.00 0.00 C ATOM 1591 CD GLU A 100 11.520 4.847 -13.436 1.00 0.00 C ATOM 1592 OE1 GLU A 100 11.475 4.183 -12.414 1.00 0.00 O ATOM 1593 OE2 GLU A 100 10.674 4.806 -14.314 1.00 0.00 O ATOM 0 H GLU A 100 13.244 6.003 -10.639 1.00 0.00 H new ATOM 0 HA GLU A 100 14.574 7.536 -12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.655 6.942 -12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 100 12.170 7.880 -13.520 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.841 6.015 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.626 5.310 -13.287 1.00 0.00 H new ATOM 1600 N LYS A 101 14.257 9.836 -11.878 1.00 0.00 N ATOM 1601 CA LYS A 101 14.112 11.184 -11.263 1.00 0.00 C ATOM 1602 C LYS A 101 12.683 11.691 -11.440 1.00 0.00 C ATOM 1603 O LYS A 101 11.774 10.938 -11.734 1.00 0.00 O ATOM 1604 CB LYS A 101 15.080 12.152 -11.916 1.00 0.00 C ATOM 1605 CG LYS A 101 16.023 12.662 -10.834 1.00 0.00 C ATOM 1606 CD LYS A 101 16.269 14.150 -11.033 1.00 0.00 C ATOM 1607 CE LYS A 101 17.751 14.395 -11.319 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.011 15.862 -11.374 1.00 0.00 N ATOM 0 H LYS A 101 14.926 9.779 -12.645 1.00 0.00 H new ATOM 0 HA LYS A 101 14.334 11.112 -10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.640 11.657 -12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.541 12.980 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.593 12.483 -9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 101 16.967 12.118 -10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.663 14.521 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.965 14.701 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.363 13.935 -10.543 1.00 0.00 H new ATOM 0 HE3 LYS A 101 18.032 13.929 -12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.852 16.044 -11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.189 16.345 -11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.174 16.222 -10.412 1.00 0.00 H new ATOM 1622 N ASP A 102 12.478 12.963 -11.255 1.00 0.00 N ATOM 1623 CA ASP A 102 11.109 13.535 -11.400 1.00 0.00 C ATOM 1624 C ASP A 102 10.540 13.198 -12.779 1.00 0.00 C ATOM 1625 O ASP A 102 9.351 13.293 -13.008 1.00 0.00 O ATOM 1626 CB ASP A 102 11.169 15.054 -11.228 1.00 0.00 C ATOM 1627 CG ASP A 102 10.247 15.475 -10.082 1.00 0.00 C ATOM 1628 OD1 ASP A 102 9.292 14.761 -9.824 1.00 0.00 O ATOM 1629 OD2 ASP A 102 10.512 16.504 -9.483 1.00 0.00 O ATOM 0 H ASP A 102 13.203 13.637 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 102 10.462 13.105 -10.635 1.00 0.00 H new ATOM 0 HB2 ASP A 102 12.192 15.367 -11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.867 15.547 -12.152 1.00 0.00 H new ATOM 1634 N GLY A 103 11.373 12.805 -13.696 1.00 0.00 N ATOM 1635 CA GLY A 103 10.869 12.462 -15.057 1.00 0.00 C ATOM 1636 C GLY A 103 12.011 12.527 -16.073 1.00 0.00 C ATOM 1637 O GLY A 103 11.897 13.152 -17.108 1.00 0.00 O ATOM 0 H GLY A 103 12.380 12.705 -13.566 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.434 11.463 -15.051 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.076 13.153 -15.344 1.00 0.00 H new ATOM 1641 N LYS A 104 13.109 11.882 -15.792 1.00 0.00 N ATOM 1642 CA LYS A 104 14.250 11.905 -16.753 1.00 0.00 C ATOM 1643 C LYS A 104 14.865 10.506 -16.853 1.00 0.00 C ATOM 1644 O LYS A 104 15.886 10.311 -17.481 1.00 0.00 O ATOM 1645 CB LYS A 104 15.310 12.896 -16.267 1.00 0.00 C ATOM 1646 CG LYS A 104 15.753 12.519 -14.853 1.00 0.00 C ATOM 1647 CD LYS A 104 17.102 13.174 -14.548 1.00 0.00 C ATOM 1648 CE LYS A 104 16.914 14.684 -14.396 1.00 0.00 C ATOM 1649 NZ LYS A 104 18.146 15.387 -14.852 1.00 0.00 N ATOM 0 H LYS A 104 13.267 11.341 -14.942 1.00 0.00 H new ATOM 0 HA LYS A 104 13.889 12.213 -17.734 1.00 0.00 H new ATOM 0 HB2 LYS A 104 16.166 12.888 -16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.907 13.909 -16.275 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.007 12.844 -14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 104 15.834 11.436 -14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.523 12.756 -13.634 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.810 12.964 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.056 15.015 -14.981 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.705 14.932 -13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 18.018 16.414 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 18.955 15.079 -14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.326 15.159 -15.851 1.00 0.00 H new ATOM 1663 N ALA A 105 14.248 9.531 -16.241 1.00 0.00 N ATOM 1664 CA ALA A 105 14.793 8.144 -16.302 1.00 0.00 C ATOM 1665 C ALA A 105 16.311 8.177 -16.116 1.00 0.00 C ATOM 1666 O ALA A 105 17.059 8.339 -17.059 1.00 0.00 O ATOM 1667 CB ALA A 105 14.459 7.525 -17.661 1.00 0.00 C ATOM 0 H ALA A 105 13.389 9.635 -15.701 1.00 0.00 H new ATOM 0 HA ALA A 105 14.346 7.546 -15.508 1.00 0.00 H new ATOM 0 HB1 ALA A 105 14.857 6.511 -17.707 1.00 0.00 H new ATOM 0 HB2 ALA A 105 13.377 7.497 -17.792 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.905 8.126 -18.454 1.00 0.00 H new ATOM 1673 N THR A 106 16.770 8.021 -14.905 1.00 0.00 N ATOM 1674 CA THR A 106 18.238 8.040 -14.654 1.00 0.00 C ATOM 1675 C THR A 106 18.876 6.792 -15.264 1.00 0.00 C ATOM 1676 O THR A 106 20.043 6.778 -15.600 1.00 0.00 O ATOM 1677 CB THR A 106 18.492 8.043 -13.146 1.00 0.00 C ATOM 1678 OG1 THR A 106 18.141 6.777 -12.609 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.649 9.135 -12.485 1.00 0.00 C ATOM 0 H THR A 106 16.191 7.881 -14.077 1.00 0.00 H new ATOM 0 HA THR A 106 18.672 8.932 -15.105 1.00 0.00 H new ATOM 0 HB THR A 106 19.547 8.240 -12.954 1.00 0.00 H new ATOM 0 HG1 THR A 106 17.196 6.783 -12.348 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.832 9.135 -11.410 1.00 0.00 H new ATOM 0 HG22 THR A 106 17.921 10.106 -12.900 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.593 8.943 -12.673 1.00 0.00 H new ATOM 1687 N GLY A 107 18.118 5.741 -15.397 1.00 0.00 N ATOM 1688 CA GLY A 107 18.675 4.484 -15.970 1.00 0.00 C ATOM 1689 C GLY A 107 18.828 3.458 -14.848 1.00 0.00 C ATOM 1690 O GLY A 107 18.949 2.272 -15.084 1.00 0.00 O ATOM 0 H GLY A 107 17.134 5.698 -15.133 1.00 0.00 H new ATOM 0 HA2 GLY A 107 18.015 4.098 -16.747 1.00 0.00 H new ATOM 0 HA3 GLY A 107 19.640 4.678 -16.439 1.00 0.00 H new ATOM 1694 N TRP A 108 18.817 3.913 -13.625 1.00 0.00 N ATOM 1695 CA TRP A 108 18.953 2.980 -12.473 1.00 0.00 C ATOM 1696 C TRP A 108 17.788 1.990 -12.485 1.00 0.00 C ATOM 1697 O TRP A 108 16.641 2.376 -12.429 1.00 0.00 O ATOM 1698 CB TRP A 108 18.925 3.783 -11.171 1.00 0.00 C ATOM 1699 CG TRP A 108 19.643 3.035 -10.092 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.959 3.168 -9.811 1.00 0.00 C ATOM 1701 CD2 TRP A 108 19.120 2.051 -9.145 1.00 0.00 C ATOM 1702 NE1 TRP A 108 21.279 2.336 -8.754 1.00 0.00 N ATOM 1703 CE2 TRP A 108 20.183 1.626 -8.311 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.845 1.490 -8.926 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.991 0.684 -7.301 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.652 0.541 -7.909 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.722 0.140 -7.099 1.00 0.00 C ATOM 0 H TRP A 108 18.719 4.897 -13.374 1.00 0.00 H new ATOM 0 HA TRP A 108 19.894 2.436 -12.548 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.393 4.755 -11.324 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.894 3.969 -10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.648 3.819 -10.328 1.00 0.00 H new ATOM 0 HE1 TRP A 108 22.213 2.257 -8.351 1.00 0.00 H new ATOM 0 HE3 TRP A 108 17.012 1.792 -9.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.819 0.377 -6.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.671 0.117 -7.750 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.565 -0.590 -6.319 1.00 0.00 H new ATOM 1718 N SER A 109 18.077 0.721 -12.555 1.00 0.00 N ATOM 1719 CA SER A 109 16.990 -0.301 -12.565 1.00 0.00 C ATOM 1720 C SER A 109 17.461 -1.521 -11.771 1.00 0.00 C ATOM 1721 O SER A 109 18.211 -2.340 -12.265 1.00 0.00 O ATOM 1722 CB SER A 109 16.692 -0.718 -14.006 1.00 0.00 C ATOM 1723 OG SER A 109 17.820 -1.397 -14.540 1.00 0.00 O ATOM 0 H SER A 109 19.024 0.344 -12.606 1.00 0.00 H new ATOM 0 HA SER A 109 16.086 0.113 -12.118 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.816 -1.365 -14.036 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.461 0.159 -14.610 1.00 0.00 H new ATOM 0 HG SER A 109 17.982 -2.216 -14.027 1.00 0.00 H new ATOM 1729 N ALA A 110 17.046 -1.648 -10.540 1.00 0.00 N ATOM 1730 CA ALA A 110 17.494 -2.812 -9.725 1.00 0.00 C ATOM 1731 C ALA A 110 16.528 -3.981 -9.901 1.00 0.00 C ATOM 1732 O ALA A 110 15.385 -3.810 -10.276 1.00 0.00 O ATOM 1733 CB ALA A 110 17.549 -2.419 -8.248 1.00 0.00 C ATOM 0 H ALA A 110 16.419 -0.999 -10.065 1.00 0.00 H new ATOM 0 HA ALA A 110 18.486 -3.113 -10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.877 -3.273 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.251 -1.596 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.558 -2.108 -7.917 1.00 0.00 H new ATOM 1739 N PHE A 111 16.986 -5.170 -9.628 1.00 0.00 N ATOM 1740 CA PHE A 111 16.110 -6.365 -9.774 1.00 0.00 C ATOM 1741 C PHE A 111 16.123 -7.173 -8.479 1.00 0.00 C ATOM 1742 O PHE A 111 17.131 -7.282 -7.813 1.00 0.00 O ATOM 1743 CB PHE A 111 16.626 -7.244 -10.916 1.00 0.00 C ATOM 1744 CG PHE A 111 16.863 -6.402 -12.145 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.041 -5.654 -12.259 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.913 -6.374 -13.169 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.267 -4.877 -13.400 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.138 -5.596 -14.311 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.316 -4.848 -14.426 1.00 0.00 C ATOM 0 H PHE A 111 17.934 -5.366 -9.308 1.00 0.00 H new ATOM 0 HA PHE A 111 15.094 -6.037 -9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.552 -7.736 -10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.904 -8.030 -11.137 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.775 -5.677 -11.467 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.005 -6.952 -13.080 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.175 -4.300 -13.489 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.404 -5.573 -15.103 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.491 -4.248 -15.307 1.00 0.00 H new ATOM 1759 N TYR A 112 15.014 -7.752 -8.120 1.00 0.00 N ATOM 1760 CA TYR A 112 14.972 -8.559 -6.873 1.00 0.00 C ATOM 1761 C TYR A 112 15.313 -10.011 -7.206 1.00 0.00 C ATOM 1762 O TYR A 112 14.511 -10.732 -7.765 1.00 0.00 O ATOM 1763 CB TYR A 112 13.571 -8.490 -6.265 1.00 0.00 C ATOM 1764 CG TYR A 112 13.638 -8.862 -4.804 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.618 -8.292 -3.983 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.723 -9.776 -4.271 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.681 -8.634 -2.627 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.786 -10.119 -2.916 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.765 -9.547 -2.094 1.00 0.00 C ATOM 1770 OH TYR A 112 13.827 -9.884 -0.758 1.00 0.00 O ATOM 0 H TYR A 112 14.136 -7.701 -8.636 1.00 0.00 H new ATOM 0 HA TYR A 112 15.694 -8.166 -6.157 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.163 -7.485 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.900 -9.167 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.326 -7.588 -4.396 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.968 -10.217 -4.905 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.436 -8.193 -1.993 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.080 -10.825 -2.504 1.00 0.00 H new ATOM 0 HH TYR A 112 13.119 -10.529 -0.550 1.00 0.00 H new ATOM 1780 N VAL A 113 16.494 -10.450 -6.864 1.00 0.00 N ATOM 1781 CA VAL A 113 16.869 -11.854 -7.162 1.00 0.00 C ATOM 1782 C VAL A 113 16.453 -12.722 -5.974 1.00 0.00 C ATOM 1783 O VAL A 113 15.440 -12.478 -5.360 1.00 0.00 O ATOM 1784 CB VAL A 113 18.381 -11.950 -7.398 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.688 -13.198 -8.228 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.867 -10.714 -8.165 1.00 0.00 C ATOM 0 H VAL A 113 17.210 -9.897 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 113 16.364 -12.200 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 113 18.889 -12.007 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.763 -13.268 -8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.347 -14.084 -7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 113 18.174 -13.133 -9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.942 -10.788 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.356 -10.658 -9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.649 -9.817 -7.585 1.00 0.00 H new ATOM 1796 N ASP A 114 17.231 -13.702 -5.616 1.00 0.00 N ATOM 1797 CA ASP A 114 16.854 -14.550 -4.448 1.00 0.00 C ATOM 1798 C ASP A 114 16.979 -13.678 -3.220 1.00 0.00 C ATOM 1799 O ASP A 114 18.023 -13.618 -2.601 1.00 0.00 O ATOM 1800 CB ASP A 114 17.807 -15.744 -4.341 1.00 0.00 C ATOM 1801 CG ASP A 114 17.119 -16.998 -4.885 1.00 0.00 C ATOM 1802 OD1 ASP A 114 15.934 -17.153 -4.639 1.00 0.00 O ATOM 1803 OD2 ASP A 114 17.788 -17.780 -5.540 1.00 0.00 O ATOM 0 H ASP A 114 18.106 -13.954 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 114 15.840 -14.937 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 114 18.720 -15.545 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.098 -15.898 -3.302 1.00 0.00 H new ATOM 1808 N GLY A 115 15.950 -12.938 -2.895 1.00 0.00 N ATOM 1809 CA GLY A 115 16.075 -12.006 -1.752 1.00 0.00 C ATOM 1810 C GLY A 115 17.372 -11.241 -1.992 1.00 0.00 C ATOM 1811 O GLY A 115 18.046 -10.812 -1.078 1.00 0.00 O ATOM 0 H GLY A 115 15.046 -12.942 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.223 -11.328 -1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.107 -12.547 -0.806 1.00 0.00 H new ATOM 1815 N LYS A 116 17.746 -11.124 -3.251 1.00 0.00 N ATOM 1816 CA LYS A 116 19.029 -10.449 -3.582 1.00 0.00 C ATOM 1817 C LYS A 116 18.819 -9.308 -4.579 1.00 0.00 C ATOM 1818 O LYS A 116 19.074 -9.457 -5.756 1.00 0.00 O ATOM 1819 CB LYS A 116 19.983 -11.475 -4.197 1.00 0.00 C ATOM 1820 CG LYS A 116 21.084 -11.814 -3.191 1.00 0.00 C ATOM 1821 CD LYS A 116 20.488 -12.616 -2.033 1.00 0.00 C ATOM 1822 CE LYS A 116 21.365 -12.447 -0.790 1.00 0.00 C ATOM 1823 NZ LYS A 116 21.854 -13.781 -0.342 1.00 0.00 N ATOM 0 H LYS A 116 17.215 -11.467 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 116 19.444 -10.031 -2.665 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.436 -12.377 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.422 -11.077 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.872 -12.389 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.543 -10.899 -2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 116 19.474 -12.275 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.421 -13.670 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.209 -11.795 -1.013 1.00 0.00 H new ATOM 0 HE3 LYS A 116 20.796 -11.970 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 22.450 -13.667 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 21.042 -14.389 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.412 -14.220 -1.102 1.00 0.00 H new ATOM 1837 N TRP A 117 18.386 -8.161 -4.130 1.00 0.00 N ATOM 1838 CA TRP A 117 18.205 -7.032 -5.082 1.00 0.00 C ATOM 1839 C TRP A 117 19.478 -6.891 -5.922 1.00 0.00 C ATOM 1840 O TRP A 117 20.517 -7.419 -5.578 1.00 0.00 O ATOM 1841 CB TRP A 117 17.957 -5.736 -4.308 1.00 0.00 C ATOM 1842 CG TRP A 117 16.495 -5.593 -4.037 1.00 0.00 C ATOM 1843 CD1 TRP A 117 15.921 -5.690 -2.818 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.414 -5.331 -4.981 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.557 -5.510 -2.949 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.195 -5.282 -4.263 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.373 -5.133 -6.375 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 12.978 -5.045 -4.904 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.152 -4.894 -7.021 1.00 0.00 C ATOM 1850 CH2 TRP A 117 12.956 -4.849 -6.289 1.00 0.00 C ATOM 0 H TRP A 117 18.153 -7.960 -3.158 1.00 0.00 H new ATOM 0 HA TRP A 117 17.349 -7.227 -5.728 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.513 -5.747 -3.370 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.317 -4.882 -4.882 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.443 -5.878 -1.891 1.00 0.00 H new ATOM 0 HE1 TRP A 117 13.898 -5.542 -2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.287 -5.165 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.060 -5.013 -4.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.132 -4.743 -8.090 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.020 -4.663 -6.794 1.00 0.00 H new ATOM 1861 N VAL A 118 19.411 -6.192 -7.020 1.00 0.00 N ATOM 1862 CA VAL A 118 20.623 -6.033 -7.875 1.00 0.00 C ATOM 1863 C VAL A 118 20.557 -4.692 -8.607 1.00 0.00 C ATOM 1864 O VAL A 118 19.602 -3.952 -8.482 1.00 0.00 O ATOM 1865 CB VAL A 118 20.690 -7.173 -8.902 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.619 -8.271 -8.392 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.299 -7.767 -9.118 1.00 0.00 C ATOM 0 H VAL A 118 18.572 -5.724 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 118 21.513 -6.064 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 118 21.067 -6.773 -9.843 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.664 -9.078 -9.123 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.618 -7.862 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.239 -8.659 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.357 -8.574 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.920 -8.158 -8.174 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.626 -6.993 -9.487 1.00 0.00 H new ATOM 1877 N GLU A 119 21.565 -4.372 -9.372 1.00 0.00 N ATOM 1878 CA GLU A 119 21.559 -3.079 -10.112 1.00 0.00 C ATOM 1879 C GLU A 119 22.034 -3.311 -11.548 1.00 0.00 C ATOM 1880 O GLU A 119 23.205 -3.517 -11.799 1.00 0.00 O ATOM 1881 CB GLU A 119 22.498 -2.089 -9.419 1.00 0.00 C ATOM 1882 CG GLU A 119 22.040 -1.875 -7.975 1.00 0.00 C ATOM 1883 CD GLU A 119 23.059 -2.494 -7.018 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.037 -3.703 -6.862 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.845 -1.748 -6.457 1.00 0.00 O ATOM 0 H GLU A 119 22.393 -4.951 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 119 20.548 -2.673 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.520 -2.469 -9.435 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.502 -1.140 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.934 -0.810 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.060 -2.328 -7.822 1.00 0.00 H new ATOM 1892 N GLY A 120 21.135 -3.279 -12.494 1.00 0.00 N ATOM 1893 CA GLY A 120 21.536 -3.499 -13.912 1.00 0.00 C ATOM 1894 C GLY A 120 21.562 -2.161 -14.651 1.00 0.00 C ATOM 1895 O GLY A 120 21.167 -2.065 -15.796 1.00 0.00 O ATOM 0 H GLY A 120 20.140 -3.110 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.519 -3.968 -13.954 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.837 -4.180 -14.397 1.00 0.00 H new