USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 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 82 ASN : amide:sc= -11! C(o=-12!,f=-19!) USER MOD Set 1.2: A 106 THR OG1 : rot 28:sc= -0.85! USER MOD Set 2.1: A 84 THR OG1 : rot -130:sc= -7.49! USER MOD Set 2.2: A 99 SER OG : rot 148:sc= -8.9! USER MOD Set 3.1: A 76 GLN : amide:sc= 0 X(o=0,f=0.045) USER MOD Set 3.2: A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 20 CYS SG : rot 96:sc= -7! USER MOD Set 4.2: A 42 THR OG1 : rot 170:sc= -3.37! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -170:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.69) USER MOD Single : A 45 LYS NZ :NH3+ -117:sc= -0.0981 (180deg=-0.584) USER MOD Single : A 46 SER OG : rot 103:sc= -3.15! USER MOD Single : A 49 THR OG1 : rot 128:sc= 0.92 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 -148:sc= 0.759 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 171:sc= -6.57! (180deg=-6.91!) USER MOD Single : A 89 SER OG : rot -64:sc= 0.267 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.4!) USER MOD Single : A 95 GLN : amide:sc= -1.14 K(o=-1.1,f=-6!) USER MOD Single : A 96 TYR OH : rot 30:sc= -0.161 USER MOD Single : A 98 SER OG : rot 160:sc= -0.0633 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 63:sc= 1.06 USER MOD Single : A 112 TYR OH : rot 0:sc= -1.23! USER MOD Single : A 116 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.466) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.100 -7.409 -0.665 1.00 0.00 N ATOM 160 CA PRO A 12 -5.912 -6.658 -1.037 1.00 0.00 C ATOM 161 C PRO A 12 -5.401 -5.847 0.158 1.00 0.00 C ATOM 162 O PRO A 12 -5.734 -6.119 1.295 1.00 0.00 O ATOM 163 CB PRO A 12 -6.389 -5.728 -2.145 1.00 0.00 C ATOM 164 CG PRO A 12 -7.910 -5.540 -1.843 1.00 0.00 C ATOM 165 CD PRO A 12 -8.375 -6.847 -1.134 1.00 0.00 C ATOM 0 HA PRO A 12 -5.091 -7.300 -1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -5.857 -4.777 -2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.228 -6.164 -3.131 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.076 -4.671 -1.206 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.472 -5.374 -2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.059 -6.643 -0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.891 -7.521 -1.818 1.00 0.00 H new ATOM 173 N VAL A 13 -4.598 -4.849 -0.091 1.00 0.00 N ATOM 174 CA VAL A 13 -4.071 -4.016 1.026 1.00 0.00 C ATOM 175 C VAL A 13 -4.590 -2.585 0.877 1.00 0.00 C ATOM 176 O VAL A 13 -3.888 -1.722 0.389 1.00 0.00 O ATOM 177 CB VAL A 13 -2.542 -4.009 0.991 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.003 -3.612 2.366 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.032 -5.406 0.632 1.00 0.00 C ATOM 0 H VAL A 13 -4.284 -4.574 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.406 -4.432 1.976 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.201 -3.293 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.913 -3.607 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.365 -2.617 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.346 -4.329 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.942 -5.400 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.374 -6.122 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.416 -5.693 -0.347 1.00 0.00 H new ATOM 189 N PRO A 14 -5.810 -2.374 1.304 1.00 0.00 N ATOM 190 CA PRO A 14 -6.432 -1.065 1.227 1.00 0.00 C ATOM 191 C PRO A 14 -5.462 -0.003 1.744 1.00 0.00 C ATOM 192 O PRO A 14 -4.905 -0.134 2.816 1.00 0.00 O ATOM 193 CB PRO A 14 -7.656 -1.172 2.128 1.00 0.00 C ATOM 194 CG PRO A 14 -7.995 -2.696 2.107 1.00 0.00 C ATOM 195 CD PRO A 14 -6.639 -3.433 1.901 1.00 0.00 C ATOM 0 HA PRO A 14 -6.701 -0.778 0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.442 -0.823 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.484 -0.572 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.469 -3.003 3.039 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.693 -2.930 1.303 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.224 -3.796 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.738 -4.295 1.242 1.00 0.00 H new ATOM 203 N LEU A 15 -5.253 1.050 1.002 1.00 0.00 N ATOM 204 CA LEU A 15 -4.316 2.104 1.481 1.00 0.00 C ATOM 205 C LEU A 15 -5.038 3.453 1.615 1.00 0.00 C ATOM 206 O LEU A 15 -4.551 4.455 1.142 1.00 0.00 O ATOM 207 CB LEU A 15 -3.145 2.241 0.505 1.00 0.00 C ATOM 208 CG LEU A 15 -2.343 0.937 0.494 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.827 0.653 -0.917 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.157 1.064 1.450 1.00 0.00 C ATOM 0 H LEU A 15 -5.685 1.225 0.095 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.940 1.811 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.515 2.463 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.505 3.073 0.800 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.988 0.118 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.258 -0.276 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.670 0.561 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.185 1.472 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.584 0.137 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.518 1.887 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.522 1.259 2.459 1.00 0.00 H new ATOM 222 N PRO A 16 -6.166 3.443 2.281 1.00 0.00 N ATOM 223 CA PRO A 16 -6.930 4.651 2.523 1.00 0.00 C ATOM 224 C PRO A 16 -5.998 5.837 2.808 1.00 0.00 C ATOM 225 O PRO A 16 -6.201 6.923 2.301 1.00 0.00 O ATOM 226 CB PRO A 16 -7.781 4.318 3.740 1.00 0.00 C ATOM 227 CG PRO A 16 -7.939 2.761 3.680 1.00 0.00 C ATOM 228 CD PRO A 16 -6.758 2.216 2.818 1.00 0.00 C ATOM 0 HA PRO A 16 -7.534 4.944 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.297 4.634 4.664 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.748 4.819 3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.915 2.332 4.682 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.897 2.487 3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.045 1.650 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.106 1.553 2.026 1.00 0.00 H new ATOM 236 N GLU A 17 -4.977 5.645 3.606 1.00 0.00 N ATOM 237 CA GLU A 17 -4.042 6.772 3.901 1.00 0.00 C ATOM 238 C GLU A 17 -3.730 7.504 2.596 1.00 0.00 C ATOM 239 O GLU A 17 -3.881 8.704 2.486 1.00 0.00 O ATOM 240 CB GLU A 17 -2.746 6.224 4.503 1.00 0.00 C ATOM 241 CG GLU A 17 -2.269 7.152 5.622 1.00 0.00 C ATOM 242 CD GLU A 17 -1.604 8.387 5.011 1.00 0.00 C ATOM 243 OE1 GLU A 17 -0.916 8.233 4.015 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.792 9.465 5.551 1.00 0.00 O ATOM 0 H GLU A 17 -4.752 4.761 4.063 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.502 7.458 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.911 5.220 4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.980 6.144 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.112 7.450 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.564 6.628 6.268 1.00 0.00 H new ATOM 251 N LEU A 18 -3.314 6.776 1.599 1.00 0.00 N ATOM 252 CA LEU A 18 -3.007 7.396 0.283 1.00 0.00 C ATOM 253 C LEU A 18 -4.305 7.439 -0.539 1.00 0.00 C ATOM 254 O LEU A 18 -4.858 6.406 -0.860 1.00 0.00 O ATOM 255 CB LEU A 18 -1.977 6.527 -0.443 1.00 0.00 C ATOM 256 CG LEU A 18 -0.800 7.387 -0.895 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.473 6.927 -0.182 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.619 7.235 -2.405 1.00 0.00 C ATOM 0 H LEU A 18 -3.172 5.767 1.641 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.609 8.402 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.627 5.734 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.438 6.044 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.994 8.431 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.313 7.541 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.343 7.028 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.671 5.884 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.221 7.847 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.422 6.190 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.526 7.559 -2.915 1.00 0.00 H new ATOM 270 N PRO A 19 -4.769 8.630 -0.835 1.00 0.00 N ATOM 271 CA PRO A 19 -6.008 8.810 -1.583 1.00 0.00 C ATOM 272 C PRO A 19 -5.856 8.356 -3.037 1.00 0.00 C ATOM 273 O PRO A 19 -4.767 8.279 -3.570 1.00 0.00 O ATOM 274 CB PRO A 19 -6.284 10.309 -1.511 1.00 0.00 C ATOM 275 CG PRO A 19 -4.872 10.928 -1.276 1.00 0.00 C ATOM 276 CD PRO A 19 -4.088 9.874 -0.445 1.00 0.00 C ATOM 0 HA PRO A 19 -6.822 8.214 -1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.736 10.679 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.969 10.552 -0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.371 11.133 -2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.943 11.875 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.028 9.858 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.158 10.062 0.626 1.00 0.00 H new ATOM 284 N CYS A 20 -6.955 8.054 -3.677 1.00 0.00 N ATOM 285 CA CYS A 20 -6.909 7.601 -5.095 1.00 0.00 C ATOM 286 C CYS A 20 -6.879 8.819 -6.023 1.00 0.00 C ATOM 287 O CYS A 20 -6.334 9.853 -5.689 1.00 0.00 O ATOM 288 CB CYS A 20 -8.158 6.767 -5.395 1.00 0.00 C ATOM 289 SG CYS A 20 -9.596 7.859 -5.513 1.00 0.00 S ATOM 0 H CYS A 20 -7.890 8.103 -3.273 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.014 7.000 -5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.027 6.218 -6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.312 6.028 -4.609 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.816 8.154 -6.760 1.00 0.00 H new ATOM 295 N GLU A 21 -7.463 8.706 -7.187 1.00 0.00 N ATOM 296 CA GLU A 21 -7.469 9.856 -8.134 1.00 0.00 C ATOM 297 C GLU A 21 -7.941 11.115 -7.405 1.00 0.00 C ATOM 298 O GLU A 21 -7.156 11.967 -7.044 1.00 0.00 O ATOM 299 CB GLU A 21 -8.419 9.555 -9.297 1.00 0.00 C ATOM 300 CG GLU A 21 -7.616 9.436 -10.594 1.00 0.00 C ATOM 301 CD GLU A 21 -8.575 9.283 -11.776 1.00 0.00 C ATOM 302 OE1 GLU A 21 -9.773 9.341 -11.553 1.00 0.00 O ATOM 303 OE2 GLU A 21 -8.095 9.111 -12.885 1.00 0.00 O ATOM 0 H GLU A 21 -7.936 7.866 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.461 10.014 -8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.962 8.629 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.162 10.347 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.992 10.319 -10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.946 8.578 -10.542 1.00 0.00 H new ATOM 310 N LYS A 22 -9.221 11.235 -7.184 1.00 0.00 N ATOM 311 CA LYS A 22 -9.747 12.437 -6.479 1.00 0.00 C ATOM 312 C LYS A 22 -11.176 12.163 -6.008 1.00 0.00 C ATOM 313 O LYS A 22 -11.986 13.063 -5.896 1.00 0.00 O ATOM 314 CB LYS A 22 -9.744 13.632 -7.434 1.00 0.00 C ATOM 315 CG LYS A 22 -8.615 14.591 -7.050 1.00 0.00 C ATOM 316 CD LYS A 22 -9.212 15.902 -6.534 1.00 0.00 C ATOM 317 CE LYS A 22 -8.107 16.757 -5.912 1.00 0.00 C ATOM 318 NZ LYS A 22 -8.609 18.145 -5.706 1.00 0.00 N ATOM 0 H LYS A 22 -9.926 10.552 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.116 12.660 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.611 13.290 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.703 14.147 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.985 14.140 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.978 14.784 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.688 16.443 -7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.986 15.695 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.792 16.328 -4.961 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.232 16.768 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.858 18.727 -5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.889 18.552 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.432 18.126 -5.070 1.00 0.00 H new ATOM 332 N SER A 23 -11.494 10.928 -5.732 1.00 0.00 N ATOM 333 CA SER A 23 -12.871 10.599 -5.271 1.00 0.00 C ATOM 334 C SER A 23 -12.808 9.988 -3.870 1.00 0.00 C ATOM 335 O SER A 23 -11.864 10.198 -3.134 1.00 0.00 O ATOM 336 CB SER A 23 -13.505 9.595 -6.235 1.00 0.00 C ATOM 337 OG SER A 23 -14.777 10.078 -6.646 1.00 0.00 O ATOM 0 H SER A 23 -10.859 10.133 -5.806 1.00 0.00 H new ATOM 0 HA SER A 23 -13.472 11.508 -5.245 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.861 9.449 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.611 8.625 -5.750 1.00 0.00 H new ATOM 0 HG SER A 23 -15.252 9.373 -7.134 1.00 0.00 H new ATOM 343 N ASP A 24 -13.804 9.235 -3.496 1.00 0.00 N ATOM 344 CA ASP A 24 -13.799 8.610 -2.143 1.00 0.00 C ATOM 345 C ASP A 24 -13.080 7.262 -2.208 1.00 0.00 C ATOM 346 O ASP A 24 -13.241 6.419 -1.349 1.00 0.00 O ATOM 347 CB ASP A 24 -15.238 8.398 -1.671 1.00 0.00 C ATOM 348 CG ASP A 24 -15.555 9.378 -0.540 1.00 0.00 C ATOM 349 OD1 ASP A 24 -14.745 10.259 -0.303 1.00 0.00 O ATOM 350 OD2 ASP A 24 -16.601 9.230 0.070 1.00 0.00 O ATOM 0 H ASP A 24 -14.622 9.025 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.282 9.266 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.929 8.548 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.371 7.373 -1.326 1.00 0.00 H new ATOM 355 N ALA A 25 -12.287 7.051 -3.223 1.00 0.00 N ATOM 356 CA ALA A 25 -11.560 5.758 -3.343 1.00 0.00 C ATOM 357 C ALA A 25 -10.197 5.877 -2.663 1.00 0.00 C ATOM 358 O ALA A 25 -9.805 6.936 -2.214 1.00 0.00 O ATOM 359 CB ALA A 25 -11.362 5.421 -4.821 1.00 0.00 C ATOM 0 H ALA A 25 -12.112 7.719 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.139 4.969 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.830 4.474 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.333 5.338 -5.309 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.782 6.210 -5.299 1.00 0.00 H new ATOM 365 N TYR A 26 -9.470 4.798 -2.585 1.00 0.00 N ATOM 366 CA TYR A 26 -8.130 4.848 -1.939 1.00 0.00 C ATOM 367 C TYR A 26 -7.164 3.958 -2.721 1.00 0.00 C ATOM 368 O TYR A 26 -7.439 3.571 -3.836 1.00 0.00 O ATOM 369 CB TYR A 26 -8.238 4.368 -0.491 1.00 0.00 C ATOM 370 CG TYR A 26 -9.341 3.343 -0.356 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.681 3.734 -0.473 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.023 2.004 -0.101 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.701 2.785 -0.337 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.044 1.056 0.034 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.383 1.447 -0.084 1.00 0.00 C ATOM 376 OH TYR A 26 -12.389 0.512 0.051 1.00 0.00 O ATOM 0 H TYR A 26 -9.746 3.883 -2.941 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.757 5.872 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.290 3.935 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.438 5.215 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.927 4.767 -0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.990 1.702 -0.008 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.734 3.086 -0.428 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.799 0.023 0.229 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.996 -0.369 0.223 1.00 0.00 H new ATOM 386 N PHE A 27 -6.027 3.639 -2.166 1.00 0.00 N ATOM 387 CA PHE A 27 -5.061 2.788 -2.919 1.00 0.00 C ATOM 388 C PHE A 27 -5.099 1.345 -2.411 1.00 0.00 C ATOM 389 O PHE A 27 -4.265 0.918 -1.642 1.00 0.00 O ATOM 390 CB PHE A 27 -3.652 3.360 -2.769 1.00 0.00 C ATOM 391 CG PHE A 27 -3.360 4.227 -3.967 1.00 0.00 C ATOM 392 CD1 PHE A 27 -2.951 3.640 -5.171 1.00 0.00 C ATOM 393 CD2 PHE A 27 -3.515 5.616 -3.881 1.00 0.00 C ATOM 394 CE1 PHE A 27 -2.696 4.442 -6.288 1.00 0.00 C ATOM 395 CE2 PHE A 27 -3.257 6.417 -4.999 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.849 5.831 -6.202 1.00 0.00 C ATOM 0 H PHE A 27 -5.727 3.926 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.342 2.786 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.575 3.943 -1.851 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.921 2.554 -2.697 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.833 2.569 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.833 6.068 -2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.381 3.990 -7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.373 7.489 -4.933 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.652 6.450 -7.065 1.00 0.00 H new ATOM 406 N VAL A 28 -6.059 0.589 -2.854 1.00 0.00 N ATOM 407 CA VAL A 28 -6.160 -0.831 -2.424 1.00 0.00 C ATOM 408 C VAL A 28 -5.185 -1.675 -3.249 1.00 0.00 C ATOM 409 O VAL A 28 -5.361 -1.865 -4.436 1.00 0.00 O ATOM 410 CB VAL A 28 -7.594 -1.319 -2.647 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.642 -2.846 -2.586 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.501 -0.741 -1.558 1.00 0.00 C ATOM 0 H VAL A 28 -6.785 0.896 -3.501 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.908 -0.923 -1.367 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.936 -0.988 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.666 -3.185 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.997 -3.262 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.297 -3.182 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.523 -1.087 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.151 -1.072 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.475 0.348 -1.603 1.00 0.00 H new ATOM 422 N LEU A 29 -4.151 -2.176 -2.628 1.00 0.00 N ATOM 423 CA LEU A 29 -3.156 -2.998 -3.374 1.00 0.00 C ATOM 424 C LEU A 29 -3.814 -4.279 -3.885 1.00 0.00 C ATOM 425 O LEU A 29 -4.079 -5.196 -3.133 1.00 0.00 O ATOM 426 CB LEU A 29 -1.995 -3.366 -2.448 1.00 0.00 C ATOM 427 CG LEU A 29 -1.111 -4.409 -3.135 1.00 0.00 C ATOM 428 CD1 LEU A 29 0.313 -3.868 -3.265 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.092 -5.692 -2.301 1.00 0.00 C ATOM 0 H LEU A 29 -3.953 -2.051 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.784 -2.420 -4.220 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.410 -2.478 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.377 -3.760 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.510 -4.624 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.942 -4.612 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.302 -2.954 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.712 -3.651 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.462 -6.435 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.694 -5.476 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.106 -6.081 -2.208 1.00 0.00 H new ATOM 441 N ARG A 30 -4.064 -4.357 -5.161 1.00 0.00 N ATOM 442 CA ARG A 30 -4.689 -5.585 -5.720 1.00 0.00 C ATOM 443 C ARG A 30 -3.595 -6.468 -6.322 1.00 0.00 C ATOM 444 O ARG A 30 -2.420 -6.197 -6.178 1.00 0.00 O ATOM 445 CB ARG A 30 -5.697 -5.199 -6.805 1.00 0.00 C ATOM 446 CG ARG A 30 -6.741 -4.248 -6.214 1.00 0.00 C ATOM 447 CD ARG A 30 -8.063 -4.410 -6.966 1.00 0.00 C ATOM 448 NE ARG A 30 -9.125 -3.624 -6.275 1.00 0.00 N ATOM 449 CZ ARG A 30 -10.189 -3.249 -6.930 1.00 0.00 C ATOM 450 NH1 ARG A 30 -10.072 -2.715 -8.114 1.00 0.00 N ATOM 451 NH2 ARG A 30 -11.371 -3.407 -6.399 1.00 0.00 N ATOM 0 H ARG A 30 -3.862 -3.623 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.207 -6.129 -4.930 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.184 -4.721 -7.640 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.183 -6.091 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.884 -4.461 -5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.393 -3.218 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.953 -4.068 -7.995 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.343 -5.462 -7.008 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.020 -3.380 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.148 -2.590 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.904 -2.422 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.462 -3.823 -5.472 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.203 -3.114 -6.911 1.00 0.00 H new ATOM 465 N ASP A 31 -3.965 -7.521 -6.995 1.00 0.00 N ATOM 466 CA ASP A 31 -2.936 -8.412 -7.600 1.00 0.00 C ATOM 467 C ASP A 31 -3.335 -8.748 -9.039 1.00 0.00 C ATOM 468 O ASP A 31 -4.198 -9.568 -9.278 1.00 0.00 O ATOM 469 CB ASP A 31 -2.837 -9.703 -6.784 1.00 0.00 C ATOM 470 CG ASP A 31 -4.227 -10.322 -6.635 1.00 0.00 C ATOM 471 OD1 ASP A 31 -5.019 -9.779 -5.882 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.478 -11.329 -7.278 1.00 0.00 O ATOM 0 H ASP A 31 -4.933 -7.803 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.971 -7.906 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.165 -10.406 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.414 -9.493 -5.802 1.00 0.00 H new ATOM 477 N GLY A 32 -2.714 -8.119 -9.999 1.00 0.00 N ATOM 478 CA GLY A 32 -3.061 -8.405 -11.420 1.00 0.00 C ATOM 479 C GLY A 32 -2.252 -7.490 -12.341 1.00 0.00 C ATOM 480 O GLY A 32 -1.535 -7.946 -13.211 1.00 0.00 O ATOM 0 H GLY A 32 -1.983 -7.421 -9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.851 -9.449 -11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.128 -8.250 -11.583 1.00 0.00 H new ATOM 484 N ALA A 33 -2.360 -6.203 -12.159 1.00 0.00 N ATOM 485 CA ALA A 33 -1.597 -5.260 -13.026 1.00 0.00 C ATOM 486 C ALA A 33 -0.121 -5.663 -13.045 1.00 0.00 C ATOM 487 O ALA A 33 0.663 -5.219 -12.230 1.00 0.00 O ATOM 488 CB ALA A 33 -1.730 -3.839 -12.475 1.00 0.00 C ATOM 0 H ALA A 33 -2.944 -5.763 -11.448 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.996 -5.296 -14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.172 -3.149 -13.109 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.781 -3.551 -12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.332 -3.803 -11.461 1.00 0.00 H new ATOM 494 N ALA A 34 0.265 -6.498 -13.971 1.00 0.00 N ATOM 495 CA ALA A 34 1.690 -6.928 -14.041 1.00 0.00 C ATOM 496 C ALA A 34 2.197 -7.241 -12.634 1.00 0.00 C ATOM 497 O ALA A 34 3.230 -6.759 -12.214 1.00 0.00 O ATOM 498 CB ALA A 34 2.532 -5.804 -14.650 1.00 0.00 C ATOM 0 H ALA A 34 -0.345 -6.901 -14.682 1.00 0.00 H new ATOM 0 HA ALA A 34 1.771 -7.820 -14.662 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.575 -6.118 -14.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.170 -5.581 -15.654 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.452 -4.912 -14.029 1.00 0.00 H new ATOM 504 N GLY A 35 1.478 -8.045 -11.901 1.00 0.00 N ATOM 505 CA GLY A 35 1.920 -8.388 -10.520 1.00 0.00 C ATOM 506 C GLY A 35 1.219 -7.472 -9.516 1.00 0.00 C ATOM 507 O GLY A 35 0.514 -6.553 -9.884 1.00 0.00 O ATOM 0 H GLY A 35 0.604 -8.479 -12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.688 -9.430 -10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.001 -8.278 -10.435 1.00 0.00 H new ATOM 511 N VAL A 36 1.407 -7.716 -8.249 1.00 0.00 N ATOM 512 CA VAL A 36 0.755 -6.863 -7.216 1.00 0.00 C ATOM 513 C VAL A 36 0.919 -5.386 -7.593 1.00 0.00 C ATOM 514 O VAL A 36 1.769 -5.025 -8.380 1.00 0.00 O ATOM 515 CB VAL A 36 1.410 -7.132 -5.858 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.928 -7.210 -6.031 1.00 0.00 C ATOM 517 CG2 VAL A 36 1.069 -6.004 -4.885 1.00 0.00 C ATOM 0 H VAL A 36 1.986 -8.472 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.308 -7.098 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 36 1.036 -8.076 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.395 -7.401 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.175 -8.018 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.297 -6.266 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.538 -6.201 -3.921 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.438 -5.058 -5.281 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.012 -5.947 -4.758 1.00 0.00 H new ATOM 527 N PHE A 37 0.108 -4.531 -7.028 1.00 0.00 N ATOM 528 CA PHE A 37 0.213 -3.077 -7.344 1.00 0.00 C ATOM 529 C PHE A 37 -0.839 -2.308 -6.539 1.00 0.00 C ATOM 530 O PHE A 37 -1.738 -2.889 -5.966 1.00 0.00 O ATOM 531 CB PHE A 37 -0.025 -2.859 -8.841 1.00 0.00 C ATOM 532 CG PHE A 37 -1.485 -3.079 -9.159 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.087 -4.309 -8.868 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.235 -2.053 -9.746 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.439 -4.512 -9.165 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.588 -2.256 -10.041 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.191 -3.486 -9.750 1.00 0.00 C ATOM 0 H PHE A 37 -0.623 -4.777 -6.361 1.00 0.00 H new ATOM 0 HA PHE A 37 1.208 -2.717 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.271 -1.849 -9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.591 -3.545 -9.421 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.508 -5.100 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.770 -1.105 -9.971 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.903 -5.461 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.167 -1.464 -10.493 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.235 -3.643 -9.977 1.00 0.00 H new ATOM 547 N LEU A 38 -0.731 -1.007 -6.487 1.00 0.00 N ATOM 548 CA LEU A 38 -1.725 -0.206 -5.713 1.00 0.00 C ATOM 549 C LEU A 38 -2.726 0.437 -6.671 1.00 0.00 C ATOM 550 O LEU A 38 -2.486 1.498 -7.214 1.00 0.00 O ATOM 551 CB LEU A 38 -0.999 0.891 -4.931 1.00 0.00 C ATOM 552 CG LEU A 38 0.350 0.364 -4.440 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.996 1.401 -3.519 1.00 0.00 C ATOM 554 CD2 LEU A 38 0.138 -0.940 -3.669 1.00 0.00 C ATOM 0 H LEU A 38 0.001 -0.465 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.254 -0.862 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.850 1.766 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.606 1.210 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 38 1.001 0.179 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.958 1.027 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.146 2.331 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.345 1.585 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.099 -1.316 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.513 -0.756 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.324 -1.679 -4.324 1.00 0.00 H new ATOM 566 N ALA A 39 -3.852 -0.188 -6.879 1.00 0.00 N ATOM 567 CA ALA A 39 -4.864 0.402 -7.796 1.00 0.00 C ATOM 568 C ALA A 39 -5.891 1.184 -6.979 1.00 0.00 C ATOM 569 O ALA A 39 -6.159 0.876 -5.829 1.00 0.00 O ATOM 570 CB ALA A 39 -5.579 -0.707 -8.572 1.00 0.00 C ATOM 0 H ALA A 39 -4.113 -1.078 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.363 1.067 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.318 -0.265 -9.241 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.851 -1.269 -9.157 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.078 -1.377 -7.872 1.00 0.00 H new ATOM 576 N ALA A 40 -6.474 2.188 -7.566 1.00 0.00 N ATOM 577 CA ALA A 40 -7.489 2.980 -6.831 1.00 0.00 C ATOM 578 C ALA A 40 -8.755 2.135 -6.690 1.00 0.00 C ATOM 579 O ALA A 40 -9.142 1.428 -7.598 1.00 0.00 O ATOM 580 CB ALA A 40 -7.803 4.259 -7.608 1.00 0.00 C ATOM 0 H ALA A 40 -6.291 2.493 -8.522 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.112 3.251 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.549 4.840 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.894 4.850 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.190 4.000 -8.594 1.00 0.00 H new ATOM 586 N ASN A 41 -9.399 2.193 -5.561 1.00 0.00 N ATOM 587 CA ASN A 41 -10.635 1.382 -5.374 1.00 0.00 C ATOM 588 C ASN A 41 -11.757 1.954 -6.246 1.00 0.00 C ATOM 589 O ASN A 41 -12.833 1.395 -6.333 1.00 0.00 O ATOM 590 CB ASN A 41 -11.044 1.407 -3.896 1.00 0.00 C ATOM 591 CG ASN A 41 -12.504 0.969 -3.752 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.377 1.787 -3.534 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.809 -0.295 -3.865 1.00 0.00 N ATOM 0 H ASN A 41 -9.126 2.764 -4.761 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.448 0.350 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.398 0.745 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.915 2.411 -3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.779 -0.596 -3.770 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.077 -0.982 -4.048 1.00 0.00 H new ATOM 600 N THR A 42 -11.515 3.060 -6.899 1.00 0.00 N ATOM 601 CA THR A 42 -12.566 3.657 -7.771 1.00 0.00 C ATOM 602 C THR A 42 -12.409 3.124 -9.198 1.00 0.00 C ATOM 603 O THR A 42 -13.200 3.425 -10.069 1.00 0.00 O ATOM 604 CB THR A 42 -12.422 5.180 -7.778 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.106 5.532 -7.372 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.438 5.797 -6.814 1.00 0.00 C ATOM 0 H THR A 42 -10.635 3.575 -6.866 1.00 0.00 H new ATOM 0 HA THR A 42 -13.550 3.388 -7.388 1.00 0.00 H new ATOM 0 HB THR A 42 -12.605 5.557 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.960 6.488 -7.529 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.334 6.882 -6.821 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.447 5.528 -7.127 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.258 5.421 -5.807 1.00 0.00 H new ATOM 614 N PHE A 43 -11.394 2.334 -9.439 1.00 0.00 N ATOM 615 CA PHE A 43 -11.174 1.775 -10.806 1.00 0.00 C ATOM 616 C PHE A 43 -12.525 1.396 -11.428 1.00 0.00 C ATOM 617 O PHE A 43 -13.391 0.887 -10.746 1.00 0.00 O ATOM 618 CB PHE A 43 -10.298 0.524 -10.692 1.00 0.00 C ATOM 619 CG PHE A 43 -10.010 -0.022 -12.070 1.00 0.00 C ATOM 620 CD1 PHE A 43 -10.915 -0.898 -12.682 1.00 0.00 C ATOM 621 CD2 PHE A 43 -8.836 0.350 -12.737 1.00 0.00 C ATOM 622 CE1 PHE A 43 -10.646 -1.401 -13.960 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.567 -0.154 -14.015 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.472 -1.030 -14.627 1.00 0.00 C ATOM 0 H PHE A 43 -10.704 2.051 -8.743 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.683 2.517 -11.436 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.365 0.767 -10.184 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.802 -0.231 -10.089 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.820 -1.185 -12.168 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.138 1.026 -12.265 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.345 -2.076 -14.432 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.661 0.133 -14.529 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.265 -1.419 -15.613 1.00 0.00 H new ATOM 634 N PRO A 44 -12.667 1.643 -12.710 1.00 0.00 N ATOM 635 CA PRO A 44 -11.625 2.254 -13.526 1.00 0.00 C ATOM 636 C PRO A 44 -11.600 3.777 -13.337 1.00 0.00 C ATOM 637 O PRO A 44 -10.711 4.449 -13.820 1.00 0.00 O ATOM 638 CB PRO A 44 -12.029 1.917 -14.955 1.00 0.00 C ATOM 639 CG PRO A 44 -13.585 1.784 -14.873 1.00 0.00 C ATOM 640 CD PRO A 44 -13.902 1.299 -13.427 1.00 0.00 C ATOM 0 HA PRO A 44 -10.631 1.891 -13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.729 2.700 -15.652 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.565 0.992 -15.296 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.069 2.739 -15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.955 1.073 -15.612 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.771 1.806 -13.008 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.109 0.229 -13.392 1.00 0.00 H new ATOM 648 N LYS A 45 -12.569 4.327 -12.651 1.00 0.00 N ATOM 649 CA LYS A 45 -12.594 5.804 -12.447 1.00 0.00 C ATOM 650 C LYS A 45 -11.183 6.301 -12.129 1.00 0.00 C ATOM 651 O LYS A 45 -10.837 7.433 -12.404 1.00 0.00 O ATOM 652 CB LYS A 45 -13.538 6.142 -11.288 1.00 0.00 C ATOM 653 CG LYS A 45 -13.272 7.570 -10.813 1.00 0.00 C ATOM 654 CD LYS A 45 -14.354 7.990 -9.817 1.00 0.00 C ATOM 655 CE LYS A 45 -14.796 9.424 -10.116 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.502 9.462 -11.429 1.00 0.00 N ATOM 0 H LYS A 45 -13.342 3.817 -12.224 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.949 6.292 -13.355 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.575 6.041 -11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.389 5.441 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.289 7.631 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.263 8.251 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.207 7.314 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.972 7.921 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.455 9.785 -9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.930 10.086 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.969 10.059 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.575 8.498 -11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.456 9.856 -11.299 1.00 0.00 H new ATOM 670 N SER A 46 -10.365 5.465 -11.557 1.00 0.00 N ATOM 671 CA SER A 46 -8.978 5.893 -11.228 1.00 0.00 C ATOM 672 C SER A 46 -7.987 4.885 -11.808 1.00 0.00 C ATOM 673 O SER A 46 -7.798 3.808 -11.277 1.00 0.00 O ATOM 674 CB SER A 46 -8.814 5.957 -9.711 1.00 0.00 C ATOM 675 OG SER A 46 -7.432 6.065 -9.393 1.00 0.00 O ATOM 0 H SER A 46 -10.596 4.505 -11.303 1.00 0.00 H new ATOM 0 HA SER A 46 -8.787 6.877 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.359 6.812 -9.310 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.237 5.064 -9.250 1.00 0.00 H new ATOM 0 HG SER A 46 -7.224 6.991 -9.150 1.00 0.00 H new ATOM 681 N ARG A 47 -7.353 5.223 -12.897 1.00 0.00 N ATOM 682 CA ARG A 47 -6.374 4.282 -13.509 1.00 0.00 C ATOM 683 C ARG A 47 -4.988 4.537 -12.914 1.00 0.00 C ATOM 684 O ARG A 47 -3.978 4.208 -13.504 1.00 0.00 O ATOM 685 CB ARG A 47 -6.331 4.502 -15.021 1.00 0.00 C ATOM 686 CG ARG A 47 -7.030 3.338 -15.727 1.00 0.00 C ATOM 687 CD ARG A 47 -7.283 3.706 -17.190 1.00 0.00 C ATOM 688 NE ARG A 47 -6.330 2.961 -18.061 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.574 2.834 -19.337 1.00 0.00 C ATOM 690 NH1 ARG A 47 -6.283 3.808 -20.156 1.00 0.00 N ATOM 691 NH2 ARG A 47 -7.109 1.736 -19.793 1.00 0.00 N ATOM 0 H ARG A 47 -7.471 6.109 -13.389 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.676 3.255 -13.303 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.820 5.442 -15.276 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.297 4.578 -15.359 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.414 2.441 -15.668 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.973 3.111 -15.230 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.309 3.464 -17.465 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.160 4.780 -17.333 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.487 2.550 -17.660 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.865 4.667 -19.799 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.473 3.710 -21.153 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.337 0.976 -19.153 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.299 1.637 -20.790 1.00 0.00 H new ATOM 705 N GLU A 48 -4.933 5.122 -11.749 1.00 0.00 N ATOM 706 CA GLU A 48 -3.615 5.398 -11.114 1.00 0.00 C ATOM 707 C GLU A 48 -3.126 4.139 -10.397 1.00 0.00 C ATOM 708 O GLU A 48 -3.111 4.071 -9.184 1.00 0.00 O ATOM 709 CB GLU A 48 -3.763 6.538 -10.103 1.00 0.00 C ATOM 710 CG GLU A 48 -4.516 7.701 -10.752 1.00 0.00 C ATOM 711 CD GLU A 48 -4.664 8.841 -9.742 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.409 8.606 -8.573 1.00 0.00 O ATOM 713 OE2 GLU A 48 -5.028 9.929 -10.156 1.00 0.00 O ATOM 0 H GLU A 48 -5.745 5.421 -11.209 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.894 5.686 -11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.301 6.189 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.781 6.870 -9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.978 8.050 -11.634 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.498 7.369 -11.089 1.00 0.00 H new ATOM 720 N THR A 49 -2.729 3.140 -11.137 1.00 0.00 N ATOM 721 CA THR A 49 -2.244 1.886 -10.496 1.00 0.00 C ATOM 722 C THR A 49 -0.870 1.524 -11.061 1.00 0.00 C ATOM 723 O THR A 49 -0.547 1.846 -12.187 1.00 0.00 O ATOM 724 CB THR A 49 -3.228 0.745 -10.782 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.818 0.053 -11.953 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.635 1.310 -10.989 1.00 0.00 C ATOM 0 H THR A 49 -2.720 3.138 -12.157 1.00 0.00 H new ATOM 0 HA THR A 49 -2.169 2.038 -9.419 1.00 0.00 H new ATOM 0 HB THR A 49 -3.240 0.059 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.760 -0.907 -11.763 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.329 0.494 -11.192 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.950 1.839 -10.090 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.630 2.000 -11.833 1.00 0.00 H new ATOM 734 N ARG A 50 -0.058 0.854 -10.289 1.00 0.00 N ATOM 735 CA ARG A 50 1.294 0.472 -10.783 1.00 0.00 C ATOM 736 C ARG A 50 2.155 0.018 -9.603 1.00 0.00 C ATOM 737 O ARG A 50 1.665 -0.191 -8.511 1.00 0.00 O ATOM 738 CB ARG A 50 1.950 1.676 -11.461 1.00 0.00 C ATOM 739 CG ARG A 50 1.671 2.939 -10.644 1.00 0.00 C ATOM 740 CD ARG A 50 2.666 4.032 -11.036 1.00 0.00 C ATOM 741 NE ARG A 50 2.516 5.194 -10.116 1.00 0.00 N ATOM 742 CZ ARG A 50 3.076 5.169 -8.937 1.00 0.00 C ATOM 743 NH1 ARG A 50 4.377 5.175 -8.834 1.00 0.00 N ATOM 744 NH2 ARG A 50 2.336 5.137 -7.863 1.00 0.00 N ATOM 0 H ARG A 50 -0.273 0.555 -9.338 1.00 0.00 H new ATOM 0 HA ARG A 50 1.203 -0.342 -11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.025 1.517 -11.548 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.562 1.792 -12.473 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.651 3.281 -10.821 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.755 2.722 -9.579 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.684 3.646 -10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.492 4.345 -12.066 1.00 0.00 H new ATOM 0 HE ARG A 50 1.976 6.009 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.955 5.199 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.816 5.156 -7.913 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.319 5.131 -7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.774 5.117 -6.942 1.00 0.00 H new ATOM 758 N ALA A 51 3.434 -0.139 -9.811 1.00 0.00 N ATOM 759 CA ALA A 51 4.316 -0.580 -8.696 1.00 0.00 C ATOM 760 C ALA A 51 4.388 0.525 -7.636 1.00 0.00 C ATOM 761 O ALA A 51 4.423 1.694 -7.968 1.00 0.00 O ATOM 762 CB ALA A 51 5.719 -0.857 -9.232 1.00 0.00 C ATOM 0 H ALA A 51 3.904 0.019 -10.702 1.00 0.00 H new ATOM 0 HA ALA A 51 3.910 -1.489 -8.252 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.364 -1.180 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.672 -1.641 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.125 0.052 -9.677 1.00 0.00 H new ATOM 768 N PRO A 52 4.405 0.124 -6.389 1.00 0.00 N ATOM 769 CA PRO A 52 4.467 1.062 -5.281 1.00 0.00 C ATOM 770 C PRO A 52 5.889 1.607 -5.109 1.00 0.00 C ATOM 771 O PRO A 52 6.854 0.867 -5.115 1.00 0.00 O ATOM 772 CB PRO A 52 4.072 0.233 -4.065 1.00 0.00 C ATOM 773 CG PRO A 52 4.495 -1.217 -4.459 1.00 0.00 C ATOM 774 CD PRO A 52 4.356 -1.297 -6.007 1.00 0.00 C ATOM 0 HA PRO A 52 3.819 1.925 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.586 0.570 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.003 0.299 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.519 -1.423 -4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.859 -1.955 -3.971 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.164 -1.870 -6.461 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.421 -1.769 -6.309 1.00 0.00 H new ATOM 782 N LEU A 53 6.027 2.894 -4.948 1.00 0.00 N ATOM 783 CA LEU A 53 7.381 3.477 -4.760 1.00 0.00 C ATOM 784 C LEU A 53 8.045 2.809 -3.552 1.00 0.00 C ATOM 785 O LEU A 53 7.388 2.424 -2.605 1.00 0.00 O ATOM 786 CB LEU A 53 7.260 4.984 -4.509 1.00 0.00 C ATOM 787 CG LEU A 53 7.958 5.745 -5.637 1.00 0.00 C ATOM 788 CD1 LEU A 53 7.560 7.218 -5.591 1.00 0.00 C ATOM 789 CD2 LEU A 53 9.474 5.627 -5.470 1.00 0.00 C ATOM 0 H LEU A 53 5.259 3.566 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 53 7.983 3.309 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.210 5.272 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.709 5.241 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 53 7.659 5.319 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.060 7.755 -6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.480 7.307 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.855 7.645 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.972 6.169 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.768 6.051 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.763 4.577 -5.507 1.00 0.00 H new ATOM 801 N VAL A 54 9.342 2.668 -3.573 1.00 0.00 N ATOM 802 CA VAL A 54 10.044 2.026 -2.431 1.00 0.00 C ATOM 803 C VAL A 54 9.817 2.859 -1.170 1.00 0.00 C ATOM 804 O VAL A 54 9.700 2.335 -0.079 1.00 0.00 O ATOM 805 CB VAL A 54 11.537 1.953 -2.747 1.00 0.00 C ATOM 806 CG1 VAL A 54 12.231 1.030 -1.747 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.731 1.405 -4.162 1.00 0.00 C ATOM 0 H VAL A 54 9.946 2.972 -4.336 1.00 0.00 H new ATOM 0 HA VAL A 54 9.658 1.020 -2.269 1.00 0.00 H new ATOM 0 HB VAL A 54 11.969 2.951 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.296 0.981 -1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.094 1.418 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.799 0.031 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.796 1.352 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.296 0.408 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.240 2.064 -4.878 1.00 0.00 H new ATOM 817 N GLU A 55 9.743 4.154 -1.312 1.00 0.00 N ATOM 818 CA GLU A 55 9.513 5.021 -0.123 1.00 0.00 C ATOM 819 C GLU A 55 8.051 4.901 0.306 1.00 0.00 C ATOM 820 O GLU A 55 7.718 5.061 1.464 1.00 0.00 O ATOM 821 CB GLU A 55 9.826 6.475 -0.480 1.00 0.00 C ATOM 822 CG GLU A 55 9.090 6.855 -1.766 1.00 0.00 C ATOM 823 CD GLU A 55 8.869 8.368 -1.801 1.00 0.00 C ATOM 824 OE1 GLU A 55 9.530 9.061 -1.044 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.043 8.809 -2.583 1.00 0.00 O ATOM 0 H GLU A 55 9.832 4.649 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 55 10.163 4.706 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.522 7.134 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.900 6.605 -0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.669 6.541 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.133 6.336 -1.816 1.00 0.00 H new ATOM 832 N GLU A 56 7.175 4.611 -0.617 1.00 0.00 N ATOM 833 CA GLU A 56 5.737 4.470 -0.258 1.00 0.00 C ATOM 834 C GLU A 56 5.554 3.176 0.534 1.00 0.00 C ATOM 835 O GLU A 56 4.693 3.071 1.385 1.00 0.00 O ATOM 836 CB GLU A 56 4.893 4.415 -1.533 1.00 0.00 C ATOM 837 CG GLU A 56 3.642 5.277 -1.356 1.00 0.00 C ATOM 838 CD GLU A 56 3.210 5.836 -2.712 1.00 0.00 C ATOM 839 OE1 GLU A 56 3.968 6.605 -3.282 1.00 0.00 O ATOM 840 OE2 GLU A 56 2.130 5.488 -3.159 1.00 0.00 O ATOM 0 H GLU A 56 7.393 4.466 -1.603 1.00 0.00 H new ATOM 0 HA GLU A 56 5.419 5.322 0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.475 4.771 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.610 3.385 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.837 4.683 -0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.845 6.093 -0.663 1.00 0.00 H new ATOM 847 N LEU A 57 6.367 2.193 0.261 1.00 0.00 N ATOM 848 CA LEU A 57 6.256 0.904 0.995 1.00 0.00 C ATOM 849 C LEU A 57 6.779 1.088 2.420 1.00 0.00 C ATOM 850 O LEU A 57 6.187 0.626 3.375 1.00 0.00 O ATOM 851 CB LEU A 57 7.092 -0.159 0.279 1.00 0.00 C ATOM 852 CG LEU A 57 6.297 -1.461 0.185 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.819 -1.872 1.578 1.00 0.00 C ATOM 854 CD2 LEU A 57 5.085 -1.253 -0.727 1.00 0.00 C ATOM 0 H LEU A 57 7.106 2.229 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 57 5.213 0.588 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.361 0.187 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.023 -0.328 0.820 1.00 0.00 H new ATOM 0 HG LEU A 57 6.934 -2.245 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.252 -2.801 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.680 -2.020 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.183 -1.089 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.517 -2.181 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.450 -0.468 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.424 -0.961 -1.721 1.00 0.00 H new ATOM 866 N TYR A 58 7.888 1.763 2.571 1.00 0.00 N ATOM 867 CA TYR A 58 8.448 1.978 3.935 1.00 0.00 C ATOM 868 C TYR A 58 7.484 2.838 4.754 1.00 0.00 C ATOM 869 O TYR A 58 7.227 2.571 5.910 1.00 0.00 O ATOM 870 CB TYR A 58 9.799 2.689 3.826 1.00 0.00 C ATOM 871 CG TYR A 58 10.480 2.687 5.173 1.00 0.00 C ATOM 872 CD1 TYR A 58 10.657 1.482 5.866 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.933 3.888 5.730 1.00 0.00 C ATOM 874 CE1 TYR A 58 11.288 1.481 7.116 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.565 3.886 6.981 1.00 0.00 C ATOM 876 CZ TYR A 58 11.741 2.682 7.672 1.00 0.00 C ATOM 877 OH TYR A 58 12.364 2.680 8.904 1.00 0.00 O ATOM 0 H TYR A 58 8.428 2.174 1.810 1.00 0.00 H new ATOM 0 HA TYR A 58 8.583 1.015 4.427 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.427 2.189 3.089 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.656 3.713 3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.307 0.555 5.436 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.796 4.817 5.196 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.425 0.553 7.651 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.916 4.813 7.411 1.00 0.00 H new ATOM 0 HH TYR A 58 12.618 3.596 9.144 1.00 0.00 H new ATOM 887 N ARG A 59 6.947 3.870 4.161 1.00 0.00 N ATOM 888 CA ARG A 59 5.998 4.746 4.905 1.00 0.00 C ATOM 889 C ARG A 59 4.763 3.937 5.302 1.00 0.00 C ATOM 890 O ARG A 59 4.164 4.167 6.334 1.00 0.00 O ATOM 891 CB ARG A 59 5.578 5.915 4.011 1.00 0.00 C ATOM 892 CG ARG A 59 4.817 6.949 4.844 1.00 0.00 C ATOM 893 CD ARG A 59 3.638 7.490 4.036 1.00 0.00 C ATOM 894 NE ARG A 59 2.639 8.097 4.960 1.00 0.00 N ATOM 895 CZ ARG A 59 2.365 7.518 6.097 1.00 0.00 C ATOM 896 NH1 ARG A 59 1.873 6.310 6.112 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.584 8.148 7.219 1.00 0.00 N ATOM 0 H ARG A 59 7.124 4.144 3.195 1.00 0.00 H new ATOM 0 HA ARG A 59 6.483 5.131 5.802 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.457 6.374 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.950 5.556 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.460 6.495 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.483 7.765 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.986 8.234 3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.177 6.686 3.462 1.00 0.00 H new ATOM 0 HE ARG A 59 2.169 8.965 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.702 5.818 5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.659 5.858 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.969 9.092 7.207 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.370 7.696 8.108 1.00 0.00 H new ATOM 911 N PHE A 60 4.378 2.989 4.492 1.00 0.00 N ATOM 912 CA PHE A 60 3.184 2.163 4.823 1.00 0.00 C ATOM 913 C PHE A 60 3.642 0.815 5.382 1.00 0.00 C ATOM 914 O PHE A 60 2.950 -0.178 5.285 1.00 0.00 O ATOM 915 CB PHE A 60 2.352 1.938 3.559 1.00 0.00 C ATOM 916 CG PHE A 60 1.536 3.175 3.265 1.00 0.00 C ATOM 917 CD1 PHE A 60 2.152 4.307 2.719 1.00 0.00 C ATOM 918 CD2 PHE A 60 0.163 3.189 3.539 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.396 5.454 2.447 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.593 4.334 3.266 1.00 0.00 C ATOM 921 CZ PHE A 60 0.023 5.467 2.721 1.00 0.00 C ATOM 0 H PHE A 60 4.840 2.751 3.614 1.00 0.00 H new ATOM 0 HA PHE A 60 2.577 2.679 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.005 1.712 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.694 1.079 3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.211 4.296 2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.312 2.316 3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.872 6.328 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.652 4.344 3.476 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.561 6.351 2.512 1.00 0.00 H new ATOM 931 N ARG A 61 4.809 0.773 5.966 1.00 0.00 N ATOM 932 CA ARG A 61 5.317 -0.509 6.531 1.00 0.00 C ATOM 933 C ARG A 61 4.358 -1.006 7.616 1.00 0.00 C ATOM 934 O ARG A 61 4.212 -2.192 7.832 1.00 0.00 O ATOM 935 CB ARG A 61 6.702 -0.285 7.141 1.00 0.00 C ATOM 936 CG ARG A 61 7.674 -1.338 6.606 1.00 0.00 C ATOM 937 CD ARG A 61 8.316 -2.083 7.778 1.00 0.00 C ATOM 938 NE ARG A 61 9.799 -2.042 7.640 1.00 0.00 N ATOM 939 CZ ARG A 61 10.554 -2.632 8.527 1.00 0.00 C ATOM 940 NH1 ARG A 61 10.133 -2.768 9.754 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.728 -3.087 8.185 1.00 0.00 N ATOM 0 H ARG A 61 5.433 1.572 6.076 1.00 0.00 H new ATOM 0 HA ARG A 61 5.385 -1.253 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.061 0.714 6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.646 -0.346 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.147 -2.040 5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.444 -0.862 5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.015 -1.627 8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.970 -3.117 7.799 1.00 0.00 H new ATOM 0 HE ARG A 61 10.225 -1.553 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.214 -2.414 10.020 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.722 -3.229 10.447 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.056 -2.982 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.318 -3.548 8.878 1.00 0.00 H new ATOM 955 N ASP A 62 3.702 -0.108 8.299 1.00 0.00 N ATOM 956 CA ASP A 62 2.754 -0.532 9.367 1.00 0.00 C ATOM 957 C ASP A 62 1.594 -1.306 8.738 1.00 0.00 C ATOM 958 O ASP A 62 0.993 -2.160 9.360 1.00 0.00 O ATOM 959 CB ASP A 62 2.211 0.704 10.088 1.00 0.00 C ATOM 960 CG ASP A 62 1.757 0.315 11.496 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.622 -0.111 11.635 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.551 0.452 12.412 1.00 0.00 O ATOM 0 H ASP A 62 3.782 0.900 8.164 1.00 0.00 H new ATOM 0 HA ASP A 62 3.273 -1.170 10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.981 1.474 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.376 1.127 9.529 1.00 0.00 H new ATOM 967 N ARG A 63 1.277 -1.016 7.506 1.00 0.00 N ATOM 968 CA ARG A 63 0.158 -1.734 6.834 1.00 0.00 C ATOM 969 C ARG A 63 0.730 -2.758 5.852 1.00 0.00 C ATOM 970 O ARG A 63 0.019 -3.323 5.044 1.00 0.00 O ATOM 971 CB ARG A 63 -0.710 -0.729 6.077 1.00 0.00 C ATOM 972 CG ARG A 63 -2.120 -0.721 6.671 1.00 0.00 C ATOM 973 CD ARG A 63 -2.808 0.605 6.339 1.00 0.00 C ATOM 974 NE ARG A 63 -4.140 0.654 7.005 1.00 0.00 N ATOM 975 CZ ARG A 63 -4.685 1.805 7.290 1.00 0.00 C ATOM 976 NH1 ARG A 63 -4.059 2.649 8.064 1.00 0.00 N ATOM 977 NH2 ARG A 63 -5.856 2.111 6.803 1.00 0.00 N ATOM 0 H ARG A 63 1.745 -0.312 6.935 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.449 -2.246 7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.272 0.267 6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.751 -0.992 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.699 -1.553 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.071 -0.857 7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.192 1.440 6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.925 0.706 5.260 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.626 -0.212 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.144 2.409 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.485 3.549 8.287 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.346 1.451 6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.282 3.011 7.026 1.00 0.00 H new ATOM 991 N LEU A 64 2.011 -2.999 5.914 1.00 0.00 N ATOM 992 CA LEU A 64 2.633 -3.982 4.984 1.00 0.00 C ATOM 993 C LEU A 64 2.145 -5.396 5.328 1.00 0.00 C ATOM 994 O LEU A 64 2.338 -5.857 6.436 1.00 0.00 O ATOM 995 CB LEU A 64 4.155 -3.925 5.137 1.00 0.00 C ATOM 996 CG LEU A 64 4.811 -4.047 3.762 1.00 0.00 C ATOM 997 CD1 LEU A 64 6.239 -3.504 3.827 1.00 0.00 C ATOM 998 CD2 LEU A 64 4.847 -5.519 3.342 1.00 0.00 C ATOM 0 H LEU A 64 2.654 -2.556 6.570 1.00 0.00 H new ATOM 0 HA LEU A 64 2.353 -3.740 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.449 -2.988 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.496 -4.731 5.787 1.00 0.00 H new ATOM 0 HG LEU A 64 4.236 -3.474 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.706 -3.591 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.217 -2.456 4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.813 -4.077 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.315 -5.606 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.422 -6.091 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.830 -5.909 3.295 1.00 0.00 H new ATOM 1010 N PRO A 65 1.534 -6.053 4.367 1.00 0.00 N ATOM 1011 CA PRO A 65 1.032 -7.409 4.560 1.00 0.00 C ATOM 1012 C PRO A 65 2.182 -8.429 4.524 1.00 0.00 C ATOM 1013 O PRO A 65 1.950 -9.620 4.463 1.00 0.00 O ATOM 1014 CB PRO A 65 0.095 -7.634 3.381 1.00 0.00 C ATOM 1015 CG PRO A 65 0.665 -6.689 2.277 1.00 0.00 C ATOM 1016 CD PRO A 65 1.291 -5.481 3.033 1.00 0.00 C ATOM 0 HA PRO A 65 0.538 -7.532 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.098 -8.675 3.059 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.935 -7.381 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.413 -7.201 1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.123 -6.360 1.599 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.212 -5.137 2.562 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.614 -4.628 3.071 1.00 0.00 H new ATOM 1024 N GLU A 66 3.411 -7.968 4.556 1.00 0.00 N ATOM 1025 CA GLU A 66 4.598 -8.877 4.529 1.00 0.00 C ATOM 1026 C GLU A 66 4.801 -9.501 3.136 1.00 0.00 C ATOM 1027 O GLU A 66 5.905 -9.847 2.771 1.00 0.00 O ATOM 1028 CB GLU A 66 4.428 -9.966 5.588 1.00 0.00 C ATOM 1029 CG GLU A 66 5.410 -11.111 5.325 1.00 0.00 C ATOM 1030 CD GLU A 66 5.199 -12.214 6.364 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.283 -12.083 7.160 1.00 0.00 O ATOM 1032 OE2 GLU A 66 5.957 -13.171 6.346 1.00 0.00 O ATOM 0 H GLU A 66 3.644 -6.976 4.601 1.00 0.00 H new ATOM 0 HA GLU A 66 5.489 -8.290 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.600 -9.549 6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.405 -10.343 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.261 -11.509 4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.435 -10.743 5.373 1.00 0.00 H new ATOM 1039 N LYS A 67 3.771 -9.635 2.339 1.00 0.00 N ATOM 1040 CA LYS A 67 3.957 -10.231 0.982 1.00 0.00 C ATOM 1041 C LYS A 67 4.722 -9.260 0.072 1.00 0.00 C ATOM 1042 O LYS A 67 4.893 -9.510 -1.103 1.00 0.00 O ATOM 1043 CB LYS A 67 2.586 -10.525 0.368 1.00 0.00 C ATOM 1044 CG LYS A 67 2.661 -11.814 -0.452 1.00 0.00 C ATOM 1045 CD LYS A 67 1.250 -12.243 -0.860 1.00 0.00 C ATOM 1046 CE LYS A 67 0.632 -11.171 -1.761 1.00 0.00 C ATOM 1047 NZ LYS A 67 0.121 -11.805 -3.008 1.00 0.00 N ATOM 0 H LYS A 67 2.816 -9.359 2.567 1.00 0.00 H new ATOM 0 HA LYS A 67 4.530 -11.153 1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.837 -10.624 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.274 -9.695 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.276 -11.658 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.137 -12.602 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.286 -13.198 -1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.632 -12.389 0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.180 -10.665 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.376 -10.412 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.299 -11.077 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.906 -12.268 -3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.601 -12.513 -2.767 1.00 0.00 H new ATOM 1061 N LEU A 68 5.186 -8.159 0.600 1.00 0.00 N ATOM 1062 CA LEU A 68 5.938 -7.187 -0.241 1.00 0.00 C ATOM 1063 C LEU A 68 6.984 -6.475 0.620 1.00 0.00 C ATOM 1064 O LEU A 68 7.520 -5.450 0.244 1.00 0.00 O ATOM 1065 CB LEU A 68 4.971 -6.158 -0.828 1.00 0.00 C ATOM 1066 CG LEU A 68 3.865 -5.880 0.182 1.00 0.00 C ATOM 1067 CD1 LEU A 68 3.704 -4.369 0.364 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.549 -6.477 -0.322 1.00 0.00 C ATOM 0 H LEU A 68 5.076 -7.892 1.578 1.00 0.00 H new ATOM 0 HA LEU A 68 6.434 -7.718 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.502 -5.237 -1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.545 -6.531 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 68 4.127 -6.334 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.912 -4.172 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.640 -3.944 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.445 -3.913 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.758 -6.278 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.288 -6.026 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.662 -7.554 -0.448 1.00 0.00 H new ATOM 1080 N ARG A 69 7.278 -7.011 1.775 1.00 0.00 N ATOM 1081 CA ARG A 69 8.287 -6.365 2.660 1.00 0.00 C ATOM 1082 C ARG A 69 9.613 -6.224 1.909 1.00 0.00 C ATOM 1083 O ARG A 69 10.184 -5.155 1.836 1.00 0.00 O ATOM 1084 CB ARG A 69 8.496 -7.226 3.908 1.00 0.00 C ATOM 1085 CG ARG A 69 8.654 -6.322 5.132 1.00 0.00 C ATOM 1086 CD ARG A 69 10.123 -5.925 5.288 1.00 0.00 C ATOM 1087 NE ARG A 69 10.351 -5.394 6.661 1.00 0.00 N ATOM 1088 CZ ARG A 69 11.247 -5.945 7.434 1.00 0.00 C ATOM 1089 NH1 ARG A 69 12.426 -6.238 6.958 1.00 0.00 N ATOM 1090 NH2 ARG A 69 10.963 -6.203 8.682 1.00 0.00 N ATOM 0 H ARG A 69 6.863 -7.867 2.142 1.00 0.00 H new ATOM 0 HA ARG A 69 7.931 -5.378 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.648 -7.897 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.381 -7.851 3.788 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.035 -5.431 5.022 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.310 -6.840 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.765 -6.788 5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.388 -5.171 4.546 1.00 0.00 H new ATOM 0 HE ARG A 69 9.807 -4.600 6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.647 -6.036 5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.127 -6.669 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.041 -5.974 9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.663 -6.634 9.286 1.00 0.00 H new ATOM 1104 N TYR A 70 10.106 -7.296 1.350 1.00 0.00 N ATOM 1105 CA TYR A 70 11.394 -7.223 0.603 1.00 0.00 C ATOM 1106 C TYR A 70 11.402 -5.971 -0.276 1.00 0.00 C ATOM 1107 O TYR A 70 12.412 -5.311 -0.426 1.00 0.00 O ATOM 1108 CB TYR A 70 11.538 -8.459 -0.282 1.00 0.00 C ATOM 1109 CG TYR A 70 10.214 -8.763 -0.938 1.00 0.00 C ATOM 1110 CD1 TYR A 70 9.851 -8.107 -2.119 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.347 -9.701 -0.363 1.00 0.00 C ATOM 1112 CE1 TYR A 70 8.621 -8.386 -2.726 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.117 -9.981 -0.971 1.00 0.00 C ATOM 1114 CZ TYR A 70 7.755 -9.323 -2.153 1.00 0.00 C ATOM 1115 OH TYR A 70 6.542 -9.599 -2.752 1.00 0.00 O ATOM 0 H TYR A 70 9.673 -8.219 1.378 1.00 0.00 H new ATOM 0 HA TYR A 70 12.222 -7.180 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.302 -8.289 -1.041 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.865 -9.311 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.520 -7.385 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.627 -10.208 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.341 -7.878 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.448 -10.704 -0.529 1.00 0.00 H new ATOM 0 HH TYR A 70 5.880 -9.820 -2.064 1.00 0.00 H new ATOM 1125 N LEU A 71 10.281 -5.639 -0.855 1.00 0.00 N ATOM 1126 CA LEU A 71 10.218 -4.431 -1.721 1.00 0.00 C ATOM 1127 C LEU A 71 10.419 -3.185 -0.859 1.00 0.00 C ATOM 1128 O LEU A 71 11.169 -2.293 -1.205 1.00 0.00 O ATOM 1129 CB LEU A 71 8.851 -4.372 -2.407 1.00 0.00 C ATOM 1130 CG LEU A 71 8.912 -5.134 -3.730 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.535 -5.718 -4.048 1.00 0.00 C ATOM 1132 CD2 LEU A 71 9.328 -4.177 -4.845 1.00 0.00 C ATOM 0 H LEU A 71 9.405 -6.154 -0.765 1.00 0.00 H new ATOM 0 HA LEU A 71 11.000 -4.476 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.088 -4.806 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.566 -3.335 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 71 9.639 -5.943 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.579 -6.261 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.236 -6.399 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.807 -4.911 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.373 -4.717 -5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.600 -3.370 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.309 -3.760 -4.619 1.00 0.00 H new ATOM 1144 N ALA A 72 9.765 -3.120 0.268 1.00 0.00 N ATOM 1145 CA ALA A 72 9.931 -1.934 1.154 1.00 0.00 C ATOM 1146 C ALA A 72 11.374 -1.884 1.661 1.00 0.00 C ATOM 1147 O ALA A 72 11.808 -0.904 2.233 1.00 0.00 O ATOM 1148 CB ALA A 72 8.975 -2.045 2.343 1.00 0.00 C ATOM 0 H ALA A 72 9.124 -3.835 0.613 1.00 0.00 H new ATOM 0 HA ALA A 72 9.706 -1.025 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.097 -1.177 2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.948 -2.086 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.198 -2.952 2.906 1.00 0.00 H new ATOM 1154 N ASP A 73 12.122 -2.935 1.451 1.00 0.00 N ATOM 1155 CA ASP A 73 13.537 -2.949 1.918 1.00 0.00 C ATOM 1156 C ASP A 73 14.451 -2.520 0.770 1.00 0.00 C ATOM 1157 O ASP A 73 15.511 -1.964 0.980 1.00 0.00 O ATOM 1158 CB ASP A 73 13.914 -4.363 2.364 1.00 0.00 C ATOM 1159 CG ASP A 73 13.761 -4.478 3.881 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.660 -4.267 4.364 1.00 0.00 O ATOM 1161 OD2 ASP A 73 14.747 -4.775 4.535 1.00 0.00 O ATOM 0 H ASP A 73 11.813 -3.783 0.976 1.00 0.00 H new ATOM 0 HA ASP A 73 13.651 -2.261 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.277 -5.094 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.941 -4.586 2.074 1.00 0.00 H new ATOM 1166 N ALA A 74 14.048 -2.774 -0.444 1.00 0.00 N ATOM 1167 CA ALA A 74 14.892 -2.383 -1.608 1.00 0.00 C ATOM 1168 C ALA A 74 15.171 -0.878 -1.553 1.00 0.00 C ATOM 1169 O ALA A 74 14.457 -0.142 -0.901 1.00 0.00 O ATOM 1170 CB ALA A 74 14.151 -2.712 -2.904 1.00 0.00 C ATOM 0 H ALA A 74 13.170 -3.236 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 74 15.834 -2.930 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.766 -2.427 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.947 -3.782 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.210 -2.162 -2.935 1.00 0.00 H new ATOM 1176 N PRO A 75 16.200 -0.465 -2.248 1.00 0.00 N ATOM 1177 CA PRO A 75 16.583 0.939 -2.296 1.00 0.00 C ATOM 1178 C PRO A 75 15.365 1.801 -2.641 1.00 0.00 C ATOM 1179 O PRO A 75 14.404 1.331 -3.217 1.00 0.00 O ATOM 1180 CB PRO A 75 17.631 1.009 -3.402 1.00 0.00 C ATOM 1181 CG PRO A 75 18.221 -0.436 -3.434 1.00 0.00 C ATOM 1182 CD PRO A 75 17.051 -1.376 -3.029 1.00 0.00 C ATOM 0 HA PRO A 75 16.968 1.307 -1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.187 1.283 -4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.398 1.751 -3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.597 -0.684 -4.427 1.00 0.00 H new ATOM 0 HG3 PRO A 75 19.058 -0.533 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.530 -1.780 -3.897 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.393 -2.226 -2.438 1.00 0.00 H new ATOM 1190 N GLN A 76 15.395 3.057 -2.291 1.00 0.00 N ATOM 1191 CA GLN A 76 14.233 3.942 -2.594 1.00 0.00 C ATOM 1192 C GLN A 76 14.734 5.298 -3.090 1.00 0.00 C ATOM 1193 O GLN A 76 14.156 6.323 -2.794 1.00 0.00 O ATOM 1194 CB GLN A 76 13.407 4.145 -1.321 1.00 0.00 C ATOM 1195 CG GLN A 76 14.335 4.524 -0.166 1.00 0.00 C ATOM 1196 CD GLN A 76 13.522 5.190 0.945 1.00 0.00 C ATOM 1197 OE1 GLN A 76 13.635 6.379 1.168 1.00 0.00 O ATOM 1198 NE2 GLN A 76 12.701 4.468 1.658 1.00 0.00 N ATOM 0 H GLN A 76 16.172 3.509 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 76 13.617 3.479 -3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 76 12.665 4.928 -1.477 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.862 3.233 -1.079 1.00 0.00 H new ATOM 0 HG2 GLN A 76 14.836 3.636 0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.113 5.202 -0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.606 3.470 1.471 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.155 4.902 2.402 1.00 0.00 H new ATOM 1207 N GLN A 77 15.795 5.315 -3.849 1.00 0.00 N ATOM 1208 CA GLN A 77 16.324 6.616 -4.361 1.00 0.00 C ATOM 1209 C GLN A 77 17.562 6.369 -5.232 1.00 0.00 C ATOM 1210 O GLN A 77 17.867 7.141 -6.118 1.00 0.00 O ATOM 1211 CB GLN A 77 16.730 7.504 -3.175 1.00 0.00 C ATOM 1212 CG GLN A 77 15.723 8.639 -2.973 1.00 0.00 C ATOM 1213 CD GLN A 77 15.853 9.183 -1.549 1.00 0.00 C ATOM 1214 OE1 GLN A 77 15.327 8.609 -0.616 1.00 0.00 O ATOM 1215 NE2 GLN A 77 16.536 10.275 -1.341 1.00 0.00 N ATOM 0 H GLN A 77 16.319 4.489 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 77 15.549 7.105 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.792 6.902 -2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.722 7.920 -3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 77 15.904 9.434 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 77 14.710 8.276 -3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.978 10.757 -2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.628 10.647 -0.396 1.00 0.00 H new ATOM 1224 N ASP A 78 18.277 5.306 -4.974 1.00 0.00 N ATOM 1225 CA ASP A 78 19.506 4.992 -5.766 1.00 0.00 C ATOM 1226 C ASP A 78 20.708 5.751 -5.169 1.00 0.00 C ATOM 1227 O ASP A 78 20.536 6.674 -4.397 1.00 0.00 O ATOM 1228 CB ASP A 78 19.272 5.339 -7.255 1.00 0.00 C ATOM 1229 CG ASP A 78 20.100 6.553 -7.696 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.613 7.661 -7.553 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.200 6.351 -8.181 1.00 0.00 O ATOM 0 H ASP A 78 18.060 4.633 -4.239 1.00 0.00 H new ATOM 0 HA ASP A 78 19.729 3.926 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.530 4.479 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.214 5.542 -7.418 1.00 0.00 H new ATOM 1236 N PRO A 79 21.891 5.312 -5.528 1.00 0.00 N ATOM 1237 CA PRO A 79 23.135 5.893 -5.029 1.00 0.00 C ATOM 1238 C PRO A 79 23.106 7.428 -5.033 1.00 0.00 C ATOM 1239 O PRO A 79 23.740 8.064 -4.214 1.00 0.00 O ATOM 1240 CB PRO A 79 24.203 5.369 -5.980 1.00 0.00 C ATOM 1241 CG PRO A 79 23.608 4.018 -6.488 1.00 0.00 C ATOM 1242 CD PRO A 79 22.062 4.195 -6.473 1.00 0.00 C ATOM 0 HA PRO A 79 23.316 5.616 -3.990 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.384 6.062 -6.802 1.00 0.00 H new ATOM 0 HB3 PRO A 79 25.156 5.222 -5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 79 23.964 3.788 -7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 79 23.912 3.192 -5.845 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.669 4.433 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.551 3.293 -6.135 1.00 0.00 H new ATOM 1250 N GLU A 80 22.392 8.035 -5.938 1.00 0.00 N ATOM 1251 CA GLU A 80 22.352 9.525 -5.969 1.00 0.00 C ATOM 1252 C GLU A 80 21.209 10.021 -5.085 1.00 0.00 C ATOM 1253 O GLU A 80 21.425 10.595 -4.035 1.00 0.00 O ATOM 1254 CB GLU A 80 22.129 9.999 -7.407 1.00 0.00 C ATOM 1255 CG GLU A 80 22.428 11.497 -7.502 1.00 0.00 C ATOM 1256 CD GLU A 80 21.344 12.284 -6.765 1.00 0.00 C ATOM 1257 OE1 GLU A 80 20.207 12.244 -7.206 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.668 12.912 -5.771 1.00 0.00 O ATOM 0 H GLU A 80 21.837 7.568 -6.655 1.00 0.00 H new ATOM 0 HA GLU A 80 23.297 9.923 -5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.774 9.444 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.101 9.802 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 23.405 11.711 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.468 11.805 -8.547 1.00 0.00 H new ATOM 1265 N GLY A 81 19.995 9.801 -5.500 1.00 0.00 N ATOM 1266 CA GLY A 81 18.833 10.254 -4.686 1.00 0.00 C ATOM 1267 C GLY A 81 17.731 10.781 -5.607 1.00 0.00 C ATOM 1268 O GLY A 81 17.045 11.731 -5.287 1.00 0.00 O ATOM 0 H GLY A 81 19.755 9.326 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.454 9.427 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.145 11.035 -3.993 1.00 0.00 H new ATOM 1272 N ASN A 82 17.547 10.164 -6.742 1.00 0.00 N ATOM 1273 CA ASN A 82 16.479 10.621 -7.675 1.00 0.00 C ATOM 1274 C ASN A 82 15.196 9.849 -7.365 1.00 0.00 C ATOM 1275 O ASN A 82 14.363 9.635 -8.221 1.00 0.00 O ATOM 1276 CB ASN A 82 16.906 10.342 -9.118 1.00 0.00 C ATOM 1277 CG ASN A 82 17.048 8.834 -9.328 1.00 0.00 C ATOM 1278 OD1 ASN A 82 16.066 8.119 -9.371 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.238 8.316 -9.460 1.00 0.00 N ATOM 0 H ASN A 82 18.090 9.363 -7.063 1.00 0.00 H new ATOM 0 HA ASN A 82 16.310 11.691 -7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.169 10.748 -9.811 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.852 10.840 -9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.344 7.311 -9.599 1.00 0.00 H new ATOM 0 HD22 ASN A 82 19.062 8.916 -9.424 1.00 0.00 H new ATOM 1286 N LYS A 83 15.043 9.424 -6.141 1.00 0.00 N ATOM 1287 CA LYS A 83 13.835 8.656 -5.752 1.00 0.00 C ATOM 1288 C LYS A 83 13.751 7.389 -6.578 1.00 0.00 C ATOM 1289 O LYS A 83 13.987 7.385 -7.768 1.00 0.00 O ATOM 1290 CB LYS A 83 12.595 9.488 -5.979 1.00 0.00 C ATOM 1291 CG LYS A 83 12.476 10.497 -4.845 1.00 0.00 C ATOM 1292 CD LYS A 83 11.005 10.707 -4.503 1.00 0.00 C ATOM 1293 CE LYS A 83 10.618 12.164 -4.764 1.00 0.00 C ATOM 1294 NZ LYS A 83 9.151 12.333 -4.559 1.00 0.00 N ATOM 0 H LYS A 83 15.713 9.580 -5.388 1.00 0.00 H new ATOM 0 HA LYS A 83 13.904 8.400 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.654 10.002 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.712 8.850 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.017 10.140 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.931 11.443 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.384 10.042 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.825 10.454 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.168 12.823 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.889 12.447 -5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.888 13.323 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.635 11.714 -5.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.906 12.079 -3.581 1.00 0.00 H new ATOM 1308 N THR A 84 13.426 6.310 -5.947 1.00 0.00 N ATOM 1309 CA THR A 84 13.334 5.028 -6.686 1.00 0.00 C ATOM 1310 C THR A 84 12.019 4.331 -6.350 1.00 0.00 C ATOM 1311 O THR A 84 11.669 4.155 -5.200 1.00 0.00 O ATOM 1312 CB THR A 84 14.516 4.150 -6.289 1.00 0.00 C ATOM 1313 OG1 THR A 84 15.681 4.951 -6.204 1.00 0.00 O ATOM 1314 CG2 THR A 84 14.732 3.080 -7.343 1.00 0.00 C ATOM 0 H THR A 84 13.219 6.255 -4.950 1.00 0.00 H new ATOM 0 HA THR A 84 13.361 5.212 -7.760 1.00 0.00 H new ATOM 0 HB THR A 84 14.312 3.681 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.404 4.532 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.577 2.454 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 84 13.836 2.465 -7.426 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.938 3.552 -8.304 1.00 0.00 H new ATOM 1322 N MET A 85 11.283 3.934 -7.353 1.00 0.00 N ATOM 1323 CA MET A 85 9.986 3.253 -7.094 1.00 0.00 C ATOM 1324 C MET A 85 10.107 1.766 -7.427 1.00 0.00 C ATOM 1325 O MET A 85 11.154 1.289 -7.815 1.00 0.00 O ATOM 1326 CB MET A 85 8.879 3.902 -7.939 1.00 0.00 C ATOM 1327 CG MET A 85 8.832 3.274 -9.329 1.00 0.00 C ATOM 1328 SD MET A 85 7.446 3.962 -10.262 1.00 0.00 S ATOM 1329 CE MET A 85 6.608 2.390 -10.572 1.00 0.00 C ATOM 0 H MET A 85 11.524 4.052 -8.337 1.00 0.00 H new ATOM 0 HA MET A 85 9.728 3.357 -6.040 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.916 3.778 -7.444 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.058 4.974 -8.023 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.767 3.463 -9.856 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.726 2.192 -9.246 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.626 2.580 -11.006 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.201 1.792 -11.264 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.491 1.849 -9.633 1.00 0.00 H new ATOM 1339 N VAL A 86 9.044 1.030 -7.282 1.00 0.00 N ATOM 1340 CA VAL A 86 9.102 -0.422 -7.593 1.00 0.00 C ATOM 1341 C VAL A 86 8.660 -0.651 -9.040 1.00 0.00 C ATOM 1342 O VAL A 86 8.024 0.185 -9.648 1.00 0.00 O ATOM 1343 CB VAL A 86 8.168 -1.180 -6.648 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.963 -2.606 -7.162 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.789 -1.226 -5.250 1.00 0.00 C ATOM 0 H VAL A 86 8.138 1.371 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 86 10.122 -0.783 -7.464 1.00 0.00 H new ATOM 0 HB VAL A 86 7.205 -0.671 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.297 -3.144 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.521 -2.574 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.924 -3.118 -7.208 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.125 -1.766 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.752 -1.735 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.933 -0.210 -4.882 1.00 0.00 H new ATOM 1355 N ARG A 87 8.985 -1.788 -9.585 1.00 0.00 N ATOM 1356 CA ARG A 87 8.580 -2.103 -10.984 1.00 0.00 C ATOM 1357 C ARG A 87 8.243 -3.592 -11.061 1.00 0.00 C ATOM 1358 O ARG A 87 8.308 -4.298 -10.075 1.00 0.00 O ATOM 1359 CB ARG A 87 9.727 -1.796 -11.951 1.00 0.00 C ATOM 1360 CG ARG A 87 10.320 -0.425 -11.635 1.00 0.00 C ATOM 1361 CD ARG A 87 9.406 0.660 -12.201 1.00 0.00 C ATOM 1362 NE ARG A 87 10.230 1.776 -12.743 1.00 0.00 N ATOM 1363 CZ ARG A 87 10.458 1.855 -14.025 1.00 0.00 C ATOM 1364 NH1 ARG A 87 11.166 0.934 -14.620 1.00 0.00 N ATOM 1365 NH2 ARG A 87 9.979 2.854 -14.715 1.00 0.00 N ATOM 0 H ARG A 87 9.519 -2.520 -9.117 1.00 0.00 H new ATOM 0 HA ARG A 87 7.717 -1.497 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.498 -2.563 -11.870 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.364 -1.817 -12.978 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.427 -0.301 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.317 -0.339 -12.066 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.776 0.245 -12.988 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.740 1.031 -11.422 1.00 0.00 H new ATOM 0 HE ARG A 87 10.616 2.478 -12.112 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.541 0.152 -14.083 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.344 0.996 -15.622 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.425 3.575 -14.252 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.158 2.914 -15.717 1.00 0.00 H new ATOM 1379 N PHE A 88 7.895 -4.084 -12.215 1.00 0.00 N ATOM 1380 CA PHE A 88 7.570 -5.533 -12.322 1.00 0.00 C ATOM 1381 C PHE A 88 8.009 -6.068 -13.684 1.00 0.00 C ATOM 1382 O PHE A 88 7.870 -5.414 -14.698 1.00 0.00 O ATOM 1383 CB PHE A 88 6.065 -5.743 -12.163 1.00 0.00 C ATOM 1384 CG PHE A 88 5.762 -7.218 -12.268 1.00 0.00 C ATOM 1385 CD1 PHE A 88 5.813 -7.856 -13.512 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.433 -7.948 -11.119 1.00 0.00 C ATOM 1387 CE1 PHE A 88 5.539 -9.225 -13.609 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.158 -9.317 -11.216 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.211 -9.956 -12.460 1.00 0.00 C ATOM 0 H PHE A 88 7.822 -3.552 -13.082 1.00 0.00 H new ATOM 0 HA PHE A 88 8.098 -6.068 -11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.731 -5.357 -11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 88 5.524 -5.192 -12.932 1.00 0.00 H new ATOM 0 HD1 PHE A 88 6.064 -7.292 -14.398 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.392 -7.455 -10.159 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.580 -9.718 -14.569 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.905 -9.881 -10.330 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.999 -11.012 -12.534 1.00 0.00 H new ATOM 1399 N SER A 89 8.529 -7.263 -13.711 1.00 0.00 N ATOM 1400 CA SER A 89 8.970 -7.859 -15.001 1.00 0.00 C ATOM 1401 C SER A 89 8.163 -9.131 -15.258 1.00 0.00 C ATOM 1402 O SER A 89 8.005 -9.963 -14.385 1.00 0.00 O ATOM 1403 CB SER A 89 10.458 -8.203 -14.925 1.00 0.00 C ATOM 1404 OG SER A 89 11.025 -7.581 -13.779 1.00 0.00 O ATOM 0 H SER A 89 8.668 -7.854 -12.892 1.00 0.00 H new ATOM 0 HA SER A 89 8.809 -7.148 -15.811 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.591 -9.283 -14.870 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.968 -7.864 -15.827 1.00 0.00 H new ATOM 0 HG SER A 89 10.977 -6.607 -13.878 1.00 0.00 H new ATOM 1410 N ARG A 90 7.648 -9.292 -16.445 1.00 0.00 N ATOM 1411 CA ARG A 90 6.849 -10.512 -16.748 1.00 0.00 C ATOM 1412 C ARG A 90 7.782 -11.607 -17.260 1.00 0.00 C ATOM 1413 O ARG A 90 7.436 -12.772 -17.282 1.00 0.00 O ATOM 1414 CB ARG A 90 5.802 -10.187 -17.815 1.00 0.00 C ATOM 1415 CG ARG A 90 4.404 -10.471 -17.261 1.00 0.00 C ATOM 1416 CD ARG A 90 3.434 -10.708 -18.420 1.00 0.00 C ATOM 1417 NE ARG A 90 2.353 -9.685 -18.380 1.00 0.00 N ATOM 1418 CZ ARG A 90 1.274 -9.847 -19.097 1.00 0.00 C ATOM 1419 NH1 ARG A 90 0.497 -10.873 -18.882 1.00 0.00 N ATOM 1420 NH2 ARG A 90 0.974 -8.984 -20.028 1.00 0.00 N ATOM 0 H ARG A 90 7.746 -8.633 -17.217 1.00 0.00 H new ATOM 0 HA ARG A 90 6.345 -10.855 -15.844 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.882 -9.141 -18.111 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.979 -10.786 -18.708 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.430 -11.345 -16.610 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.064 -9.632 -16.654 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.966 -10.654 -19.370 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.006 -11.708 -18.351 1.00 0.00 H new ATOM 0 HE ARG A 90 2.455 -8.858 -17.792 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.733 -11.548 -18.154 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.346 -11.000 -19.442 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.582 -8.183 -20.196 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.131 -9.111 -20.588 1.00 0.00 H new ATOM 1434 N LYS A 91 8.968 -11.245 -17.664 1.00 0.00 N ATOM 1435 CA LYS A 91 9.926 -12.269 -18.163 1.00 0.00 C ATOM 1436 C LYS A 91 10.268 -13.223 -17.020 1.00 0.00 C ATOM 1437 O LYS A 91 10.643 -14.359 -17.234 1.00 0.00 O ATOM 1438 CB LYS A 91 11.201 -11.580 -18.655 1.00 0.00 C ATOM 1439 CG LYS A 91 10.940 -10.935 -20.017 1.00 0.00 C ATOM 1440 CD LYS A 91 10.105 -9.666 -19.830 1.00 0.00 C ATOM 1441 CE LYS A 91 10.794 -8.747 -18.820 1.00 0.00 C ATOM 1442 NZ LYS A 91 10.849 -7.361 -19.367 1.00 0.00 N ATOM 0 H LYS A 91 9.314 -10.286 -17.670 1.00 0.00 H new ATOM 0 HA LYS A 91 9.479 -12.825 -18.987 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.518 -10.823 -17.937 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.011 -12.305 -18.733 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.885 -10.693 -20.503 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.416 -11.635 -20.668 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.986 -9.152 -20.784 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.105 -9.924 -19.480 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.251 -8.755 -17.875 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.801 -9.108 -18.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.317 -6.735 -18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.385 -7.361 -20.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.883 -7.019 -19.544 1.00 0.00 H new ATOM 1456 N THR A 92 10.140 -12.767 -15.803 1.00 0.00 N ATOM 1457 CA THR A 92 10.455 -13.643 -14.641 1.00 0.00 C ATOM 1458 C THR A 92 9.396 -13.449 -13.553 1.00 0.00 C ATOM 1459 O THR A 92 9.504 -13.985 -12.469 1.00 0.00 O ATOM 1460 CB THR A 92 11.830 -13.272 -14.081 1.00 0.00 C ATOM 1461 OG1 THR A 92 11.938 -11.858 -13.997 1.00 0.00 O ATOM 1462 CG2 THR A 92 12.922 -13.814 -15.003 1.00 0.00 C ATOM 0 H THR A 92 9.831 -11.825 -15.565 1.00 0.00 H new ATOM 0 HA THR A 92 10.460 -14.684 -14.963 1.00 0.00 H new ATOM 0 HB THR A 92 11.948 -13.707 -13.088 1.00 0.00 H new ATOM 0 HG1 THR A 92 12.817 -11.618 -13.637 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.901 -13.549 -14.603 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.838 -14.899 -15.068 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.807 -13.381 -15.997 1.00 0.00 H new ATOM 1470 N LYS A 93 8.373 -12.686 -13.831 1.00 0.00 N ATOM 1471 CA LYS A 93 7.316 -12.461 -12.807 1.00 0.00 C ATOM 1472 C LYS A 93 7.974 -12.087 -11.478 1.00 0.00 C ATOM 1473 O LYS A 93 7.840 -12.785 -10.492 1.00 0.00 O ATOM 1474 CB LYS A 93 6.496 -13.740 -12.631 1.00 0.00 C ATOM 1475 CG LYS A 93 5.620 -13.960 -13.865 1.00 0.00 C ATOM 1476 CD LYS A 93 4.670 -15.133 -13.615 1.00 0.00 C ATOM 1477 CE LYS A 93 4.399 -15.861 -14.932 1.00 0.00 C ATOM 1478 NZ LYS A 93 4.103 -17.295 -14.656 1.00 0.00 N ATOM 0 H LYS A 93 8.225 -12.210 -14.721 1.00 0.00 H new ATOM 0 HA LYS A 93 6.659 -11.653 -13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.159 -14.593 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.874 -13.666 -11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.050 -13.057 -14.085 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.244 -14.163 -14.735 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.107 -15.820 -12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.734 -14.772 -13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.558 -15.398 -15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.264 -15.777 -15.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.919 -17.790 -15.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.918 -17.732 -14.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.266 -17.365 -14.043 1.00 0.00 H new ATOM 1492 N GLN A 94 8.686 -10.994 -11.443 1.00 0.00 N ATOM 1493 CA GLN A 94 9.353 -10.585 -10.173 1.00 0.00 C ATOM 1494 C GLN A 94 9.195 -9.077 -9.967 1.00 0.00 C ATOM 1495 O GLN A 94 8.471 -8.414 -10.682 1.00 0.00 O ATOM 1496 CB GLN A 94 10.842 -10.933 -10.243 1.00 0.00 C ATOM 1497 CG GLN A 94 11.015 -12.453 -10.213 1.00 0.00 C ATOM 1498 CD GLN A 94 12.404 -12.825 -10.737 1.00 0.00 C ATOM 1499 OE1 GLN A 94 12.634 -13.951 -11.131 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.346 -11.922 -10.759 1.00 0.00 N ATOM 0 H GLN A 94 8.835 -10.368 -12.235 1.00 0.00 H new ATOM 0 HA GLN A 94 8.891 -11.114 -9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.279 -10.525 -11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.372 -10.480 -9.405 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.889 -12.823 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.247 -12.928 -10.823 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.154 -10.976 -10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.274 -12.162 -11.107 1.00 0.00 H new ATOM 1509 N GLN A 95 9.869 -8.530 -8.990 1.00 0.00 N ATOM 1510 CA GLN A 95 9.759 -7.066 -8.736 1.00 0.00 C ATOM 1511 C GLN A 95 11.145 -6.420 -8.813 1.00 0.00 C ATOM 1512 O GLN A 95 12.083 -6.860 -8.177 1.00 0.00 O ATOM 1513 CB GLN A 95 9.171 -6.826 -7.340 1.00 0.00 C ATOM 1514 CG GLN A 95 8.164 -5.677 -7.403 1.00 0.00 C ATOM 1515 CD GLN A 95 6.854 -6.178 -8.013 1.00 0.00 C ATOM 1516 OE1 GLN A 95 6.819 -7.225 -8.629 1.00 0.00 O ATOM 1517 NE2 GLN A 95 5.769 -5.470 -7.868 1.00 0.00 N ATOM 0 H GLN A 95 10.490 -9.035 -8.358 1.00 0.00 H new ATOM 0 HA GLN A 95 9.108 -6.624 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.684 -7.731 -6.978 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.967 -6.588 -6.634 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.984 -5.282 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.566 -4.859 -8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.799 -4.591 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.890 -5.795 -8.272 1.00 0.00 H new ATOM 1526 N TYR A 96 11.276 -5.373 -9.580 1.00 0.00 N ATOM 1527 CA TYR A 96 12.594 -4.686 -9.691 1.00 0.00 C ATOM 1528 C TYR A 96 12.374 -3.182 -9.507 1.00 0.00 C ATOM 1529 O TYR A 96 11.433 -2.623 -10.022 1.00 0.00 O ATOM 1530 CB TYR A 96 13.213 -4.973 -11.066 1.00 0.00 C ATOM 1531 CG TYR A 96 12.546 -4.131 -12.130 1.00 0.00 C ATOM 1532 CD1 TYR A 96 11.423 -4.620 -12.809 1.00 0.00 C ATOM 1533 CD2 TYR A 96 13.057 -2.867 -12.444 1.00 0.00 C ATOM 1534 CE1 TYR A 96 10.812 -3.845 -13.801 1.00 0.00 C ATOM 1535 CE2 TYR A 96 12.445 -2.090 -13.436 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.324 -2.580 -14.115 1.00 0.00 C ATOM 1537 OH TYR A 96 10.722 -1.816 -15.094 1.00 0.00 O ATOM 0 H TYR A 96 10.526 -4.963 -10.136 1.00 0.00 H new ATOM 0 HA TYR A 96 13.277 -5.052 -8.924 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.282 -4.761 -11.042 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.103 -6.030 -11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 96 11.028 -5.596 -12.567 1.00 0.00 H new ATOM 0 HD2 TYR A 96 13.924 -2.490 -11.921 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.946 -4.222 -14.324 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.838 -1.113 -13.677 1.00 0.00 H new ATOM 0 HH TYR A 96 9.765 -2.024 -15.129 1.00 0.00 H new ATOM 1547 N VAL A 97 13.218 -2.520 -8.766 1.00 0.00 N ATOM 1548 CA VAL A 97 13.017 -1.056 -8.550 1.00 0.00 C ATOM 1549 C VAL A 97 13.718 -0.261 -9.649 1.00 0.00 C ATOM 1550 O VAL A 97 14.534 -0.779 -10.384 1.00 0.00 O ATOM 1551 CB VAL A 97 13.591 -0.645 -7.190 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.588 -0.982 -6.088 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.898 -1.397 -6.935 1.00 0.00 C ATOM 0 H VAL A 97 14.033 -2.923 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 97 11.948 -0.845 -8.576 1.00 0.00 H new ATOM 0 HB VAL A 97 13.784 0.428 -7.191 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.998 -0.689 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.657 -0.443 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.393 -2.054 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.304 -1.103 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.707 -2.470 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.616 -1.155 -7.719 1.00 0.00 H new ATOM 1563 N SER A 98 13.395 0.998 -9.765 1.00 0.00 N ATOM 1564 CA SER A 98 14.025 1.845 -10.812 1.00 0.00 C ATOM 1565 C SER A 98 14.084 3.295 -10.322 1.00 0.00 C ATOM 1566 O SER A 98 13.072 3.906 -10.038 1.00 0.00 O ATOM 1567 CB SER A 98 13.190 1.766 -12.089 1.00 0.00 C ATOM 1568 OG SER A 98 13.125 3.053 -12.692 1.00 0.00 O ATOM 0 H SER A 98 12.716 1.478 -9.174 1.00 0.00 H new ATOM 0 HA SER A 98 15.036 1.492 -11.016 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.632 1.050 -12.782 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.186 1.409 -11.859 1.00 0.00 H new ATOM 0 HG SER A 98 12.883 2.960 -13.637 1.00 0.00 H new ATOM 1574 N SER A 99 15.260 3.849 -10.221 1.00 0.00 N ATOM 1575 CA SER A 99 15.386 5.257 -9.753 1.00 0.00 C ATOM 1576 C SER A 99 14.908 6.200 -10.861 1.00 0.00 C ATOM 1577 O SER A 99 15.466 6.236 -11.939 1.00 0.00 O ATOM 1578 CB SER A 99 16.847 5.559 -9.420 1.00 0.00 C ATOM 1579 OG SER A 99 17.478 4.370 -8.959 1.00 0.00 O ATOM 0 H SER A 99 16.141 3.386 -10.443 1.00 0.00 H new ATOM 0 HA SER A 99 14.777 5.401 -8.860 1.00 0.00 H new ATOM 0 HB2 SER A 99 17.362 5.940 -10.302 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.905 6.335 -8.657 1.00 0.00 H new ATOM 0 HG SER A 99 18.423 4.379 -9.218 1.00 0.00 H new ATOM 1585 N GLU A 100 13.876 6.958 -10.608 1.00 0.00 N ATOM 1586 CA GLU A 100 13.362 7.892 -11.651 1.00 0.00 C ATOM 1587 C GLU A 100 13.207 9.289 -11.045 1.00 0.00 C ATOM 1588 O GLU A 100 12.778 9.441 -9.918 1.00 0.00 O ATOM 1589 CB GLU A 100 12.001 7.400 -12.147 1.00 0.00 C ATOM 1590 CG GLU A 100 12.114 5.939 -12.588 1.00 0.00 C ATOM 1591 CD GLU A 100 10.981 5.126 -11.960 1.00 0.00 C ATOM 1592 OE1 GLU A 100 11.066 4.845 -10.775 1.00 0.00 O ATOM 1593 OE2 GLU A 100 10.047 4.800 -12.672 1.00 0.00 O ATOM 0 H GLU A 100 13.366 6.971 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 100 14.062 7.930 -12.486 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.258 7.495 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.661 8.017 -12.979 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.065 5.872 -13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.079 5.531 -12.287 1.00 0.00 H new ATOM 1600 N LYS A 101 13.552 10.312 -11.778 1.00 0.00 N ATOM 1601 CA LYS A 101 13.423 11.693 -11.233 1.00 0.00 C ATOM 1602 C LYS A 101 12.043 12.264 -11.559 1.00 0.00 C ATOM 1603 O LYS A 101 11.835 12.868 -12.592 1.00 0.00 O ATOM 1604 CB LYS A 101 14.497 12.583 -11.830 1.00 0.00 C ATOM 1605 CG LYS A 101 15.323 13.140 -10.680 1.00 0.00 C ATOM 1606 CD LYS A 101 16.796 13.112 -11.058 1.00 0.00 C ATOM 1607 CE LYS A 101 17.322 14.542 -11.191 1.00 0.00 C ATOM 1608 NZ LYS A 101 18.635 14.525 -11.897 1.00 0.00 N ATOM 0 H LYS A 101 13.917 10.252 -12.729 1.00 0.00 H new ATOM 0 HA LYS A 101 13.544 11.656 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 101 15.127 12.016 -12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 101 14.048 13.392 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.013 14.161 -10.456 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.156 12.551 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 101 17.366 12.574 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.930 12.576 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 101 16.608 15.154 -11.743 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.433 14.993 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.993 15.497 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 19.314 13.955 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.515 14.111 -12.843 1.00 0.00 H new ATOM 1622 N ASP A 102 11.102 12.079 -10.677 1.00 0.00 N ATOM 1623 CA ASP A 102 9.728 12.611 -10.916 1.00 0.00 C ATOM 1624 C ASP A 102 9.215 12.149 -12.284 1.00 0.00 C ATOM 1625 O ASP A 102 8.287 12.713 -12.828 1.00 0.00 O ATOM 1626 CB ASP A 102 9.762 14.140 -10.877 1.00 0.00 C ATOM 1627 CG ASP A 102 8.343 14.679 -10.692 1.00 0.00 C ATOM 1628 OD1 ASP A 102 7.604 14.092 -9.920 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.019 15.670 -11.326 1.00 0.00 O ATOM 0 H ASP A 102 11.224 11.580 -9.796 1.00 0.00 H new ATOM 0 HA ASP A 102 9.061 12.236 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.400 14.479 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.192 14.528 -11.800 1.00 0.00 H new ATOM 1634 N GLY A 103 9.810 11.133 -12.846 1.00 0.00 N ATOM 1635 CA GLY A 103 9.353 10.646 -14.177 1.00 0.00 C ATOM 1636 C GLY A 103 10.489 10.820 -15.182 1.00 0.00 C ATOM 1637 O GLY A 103 10.271 10.959 -16.369 1.00 0.00 O ATOM 0 H GLY A 103 10.593 10.619 -12.441 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.061 9.598 -14.115 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.474 11.203 -14.501 1.00 0.00 H new ATOM 1641 N LYS A 104 11.702 10.820 -14.706 1.00 0.00 N ATOM 1642 CA LYS A 104 12.863 10.991 -15.616 1.00 0.00 C ATOM 1643 C LYS A 104 13.426 9.621 -15.994 1.00 0.00 C ATOM 1644 O LYS A 104 14.199 9.493 -16.923 1.00 0.00 O ATOM 1645 CB LYS A 104 13.943 11.799 -14.897 1.00 0.00 C ATOM 1646 CG LYS A 104 14.283 13.037 -15.721 1.00 0.00 C ATOM 1647 CD LYS A 104 13.531 14.246 -15.162 1.00 0.00 C ATOM 1648 CE LYS A 104 14.510 15.158 -14.418 1.00 0.00 C ATOM 1649 NZ LYS A 104 14.700 16.417 -15.191 1.00 0.00 N ATOM 0 H LYS A 104 11.938 10.708 -13.720 1.00 0.00 H new ATOM 0 HA LYS A 104 12.546 11.513 -16.519 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.594 12.092 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.834 11.188 -14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.357 13.220 -15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.012 12.878 -16.765 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.050 14.795 -15.972 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.741 13.916 -14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.128 15.384 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.466 14.652 -14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.365 17.037 -14.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.082 16.192 -16.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.786 16.902 -15.295 1.00 0.00 H new ATOM 1663 N ALA A 105 13.052 8.599 -15.277 1.00 0.00 N ATOM 1664 CA ALA A 105 13.576 7.242 -15.593 1.00 0.00 C ATOM 1665 C ALA A 105 15.081 7.341 -15.841 1.00 0.00 C ATOM 1666 O ALA A 105 15.583 6.913 -16.862 1.00 0.00 O ATOM 1667 CB ALA A 105 12.882 6.700 -16.844 1.00 0.00 C ATOM 0 H ALA A 105 12.408 8.644 -14.488 1.00 0.00 H new ATOM 0 HA ALA A 105 13.382 6.567 -14.760 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.268 5.707 -17.073 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.808 6.640 -16.667 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.075 7.366 -17.685 1.00 0.00 H new ATOM 1673 N THR A 106 15.799 7.913 -14.913 1.00 0.00 N ATOM 1674 CA THR A 106 17.272 8.058 -15.079 1.00 0.00 C ATOM 1675 C THR A 106 17.854 6.783 -15.695 1.00 0.00 C ATOM 1676 O THR A 106 18.864 6.813 -16.370 1.00 0.00 O ATOM 1677 CB THR A 106 17.911 8.300 -13.709 1.00 0.00 C ATOM 1678 OG1 THR A 106 17.201 7.566 -12.722 1.00 0.00 O ATOM 1679 CG2 THR A 106 17.856 9.791 -13.375 1.00 0.00 C ATOM 0 H THR A 106 15.425 8.288 -14.041 1.00 0.00 H new ATOM 0 HA THR A 106 17.481 8.901 -15.738 1.00 0.00 H new ATOM 0 HB THR A 106 18.950 7.973 -13.729 1.00 0.00 H new ATOM 0 HG1 THR A 106 16.791 6.776 -13.133 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.311 9.962 -12.399 1.00 0.00 H new ATOM 0 HG22 THR A 106 18.400 10.354 -14.133 1.00 0.00 H new ATOM 0 HG23 THR A 106 16.817 10.121 -13.354 1.00 0.00 H new ATOM 1687 N GLY A 107 17.226 5.661 -15.467 1.00 0.00 N ATOM 1688 CA GLY A 107 17.745 4.385 -16.038 1.00 0.00 C ATOM 1689 C GLY A 107 18.008 3.395 -14.903 1.00 0.00 C ATOM 1690 O GLY A 107 17.847 2.200 -15.057 1.00 0.00 O ATOM 0 H GLY A 107 16.376 5.573 -14.910 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.024 3.967 -16.741 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.663 4.569 -16.596 1.00 0.00 H new ATOM 1694 N TRP A 108 18.408 3.885 -13.763 1.00 0.00 N ATOM 1695 CA TRP A 108 18.679 2.980 -12.613 1.00 0.00 C ATOM 1696 C TRP A 108 17.566 1.933 -12.514 1.00 0.00 C ATOM 1697 O TRP A 108 16.403 2.234 -12.689 1.00 0.00 O ATOM 1698 CB TRP A 108 18.720 3.805 -11.327 1.00 0.00 C ATOM 1699 CG TRP A 108 19.498 3.072 -10.280 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.839 3.143 -10.124 1.00 0.00 C ATOM 1701 CD2 TRP A 108 19.012 2.167 -9.243 1.00 0.00 C ATOM 1702 NE1 TRP A 108 21.210 2.339 -9.061 1.00 0.00 N ATOM 1703 CE2 TRP A 108 20.120 1.716 -8.487 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.733 1.694 -8.890 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.965 0.832 -7.418 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.576 0.805 -7.815 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.689 0.375 -7.081 1.00 0.00 C ATOM 0 H TRP A 108 18.559 4.877 -13.578 1.00 0.00 H new ATOM 0 HA TRP A 108 19.635 2.477 -12.758 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.178 4.775 -11.521 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.707 3.995 -10.974 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.511 3.732 -10.731 1.00 0.00 H new ATOM 0 HE1 TRP A 108 22.171 2.221 -8.741 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.868 2.017 -9.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.826 0.504 -6.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.590 0.450 -7.552 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.560 -0.309 -6.255 1.00 0.00 H new ATOM 1718 N SER A 109 17.914 0.706 -12.237 1.00 0.00 N ATOM 1719 CA SER A 109 16.874 -0.356 -12.129 1.00 0.00 C ATOM 1720 C SER A 109 17.435 -1.541 -11.336 1.00 0.00 C ATOM 1721 O SER A 109 18.173 -2.353 -11.857 1.00 0.00 O ATOM 1722 CB SER A 109 16.481 -0.824 -13.530 1.00 0.00 C ATOM 1723 OG SER A 109 17.540 -1.595 -14.083 1.00 0.00 O ATOM 0 H SER A 109 18.872 0.393 -12.081 1.00 0.00 H new ATOM 0 HA SER A 109 15.998 0.042 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.569 -1.418 -13.485 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.270 0.035 -14.167 1.00 0.00 H new ATOM 0 HG SER A 109 17.682 -2.395 -13.536 1.00 0.00 H new ATOM 1729 N ALA A 110 17.093 -1.648 -10.080 1.00 0.00 N ATOM 1730 CA ALA A 110 17.610 -2.783 -9.263 1.00 0.00 C ATOM 1731 C ALA A 110 16.648 -3.966 -9.369 1.00 0.00 C ATOM 1732 O ALA A 110 15.471 -3.799 -9.616 1.00 0.00 O ATOM 1733 CB ALA A 110 17.729 -2.351 -7.801 1.00 0.00 C ATOM 0 H ALA A 110 16.480 -1.000 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 110 18.592 -3.078 -9.633 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.107 -3.182 -7.206 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.416 -1.508 -7.725 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.749 -2.054 -7.428 1.00 0.00 H new ATOM 1739 N PHE A 111 17.139 -5.163 -9.186 1.00 0.00 N ATOM 1740 CA PHE A 111 16.245 -6.354 -9.282 1.00 0.00 C ATOM 1741 C PHE A 111 16.294 -7.155 -7.983 1.00 0.00 C ATOM 1742 O PHE A 111 17.344 -7.392 -7.425 1.00 0.00 O ATOM 1743 CB PHE A 111 16.704 -7.251 -10.437 1.00 0.00 C ATOM 1744 CG PHE A 111 16.863 -6.431 -11.692 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.007 -5.646 -11.871 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.871 -6.460 -12.679 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.161 -4.889 -13.038 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.023 -5.702 -13.846 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.169 -4.918 -14.024 1.00 0.00 C ATOM 0 H PHE A 111 18.116 -5.367 -8.975 1.00 0.00 H new ATOM 0 HA PHE A 111 15.225 -6.012 -9.459 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.650 -7.730 -10.183 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.978 -8.047 -10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.772 -5.624 -11.108 1.00 0.00 H new ATOM 0 HD2 PHE A 111 14.989 -7.067 -12.540 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.044 -4.283 -13.177 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.258 -5.722 -14.608 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.288 -4.334 -14.925 1.00 0.00 H new ATOM 1759 N TYR A 112 15.163 -7.588 -7.503 1.00 0.00 N ATOM 1760 CA TYR A 112 15.147 -8.385 -6.246 1.00 0.00 C ATOM 1761 C TYR A 112 15.370 -9.859 -6.585 1.00 0.00 C ATOM 1762 O TYR A 112 14.481 -10.533 -7.066 1.00 0.00 O ATOM 1763 CB TYR A 112 13.791 -8.224 -5.557 1.00 0.00 C ATOM 1764 CG TYR A 112 13.878 -8.752 -4.145 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.961 -8.396 -3.333 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.877 -9.595 -3.651 1.00 0.00 C ATOM 1767 CE1 TYR A 112 15.043 -8.883 -2.025 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.960 -10.083 -2.341 1.00 0.00 C ATOM 1769 CZ TYR A 112 14.043 -9.726 -1.528 1.00 0.00 C ATOM 1770 OH TYR A 112 14.123 -10.206 -0.236 1.00 0.00 O ATOM 0 H TYR A 112 14.249 -7.425 -7.926 1.00 0.00 H new ATOM 0 HA TYR A 112 15.936 -8.035 -5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.499 -7.174 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 112 13.023 -8.763 -6.112 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.733 -7.745 -3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.042 -9.869 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.878 -8.608 -1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.189 -10.735 -1.958 1.00 0.00 H new ATOM 0 HH TYR A 112 14.936 -9.863 0.191 1.00 0.00 H new ATOM 1780 N VAL A 113 16.544 -10.370 -6.335 1.00 0.00 N ATOM 1781 CA VAL A 113 16.802 -11.798 -6.641 1.00 0.00 C ATOM 1782 C VAL A 113 16.436 -12.623 -5.407 1.00 0.00 C ATOM 1783 O VAL A 113 15.515 -12.293 -4.695 1.00 0.00 O ATOM 1784 CB VAL A 113 18.281 -11.996 -7.001 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.433 -13.262 -7.847 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.790 -10.796 -7.811 1.00 0.00 C ATOM 0 H VAL A 113 17.331 -9.860 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 113 16.201 -12.119 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 113 18.860 -12.087 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.483 -13.404 -8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 113 18.078 -14.123 -7.281 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.847 -13.162 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.840 -10.945 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 113 18.208 -10.702 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.684 -9.887 -7.220 1.00 0.00 H new ATOM 1796 N ASP A 114 17.162 -13.663 -5.120 1.00 0.00 N ATOM 1797 CA ASP A 114 16.842 -14.473 -3.910 1.00 0.00 C ATOM 1798 C ASP A 114 17.186 -13.615 -2.714 1.00 0.00 C ATOM 1799 O ASP A 114 18.297 -13.642 -2.223 1.00 0.00 O ATOM 1800 CB ASP A 114 17.685 -15.750 -3.897 1.00 0.00 C ATOM 1801 CG ASP A 114 19.132 -15.412 -4.259 1.00 0.00 C ATOM 1802 OD1 ASP A 114 19.439 -15.393 -5.440 1.00 0.00 O ATOM 1803 OD2 ASP A 114 19.910 -15.177 -3.348 1.00 0.00 O ATOM 0 H ASP A 114 17.960 -13.989 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 114 15.792 -14.765 -3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.645 -16.215 -2.912 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.281 -16.472 -4.607 1.00 0.00 H new ATOM 1808 N GLY A 115 16.274 -12.787 -2.280 1.00 0.00 N ATOM 1809 CA GLY A 115 16.617 -11.870 -1.169 1.00 0.00 C ATOM 1810 C GLY A 115 17.920 -11.200 -1.588 1.00 0.00 C ATOM 1811 O GLY A 115 18.732 -10.807 -0.774 1.00 0.00 O ATOM 0 H GLY A 115 15.324 -12.710 -2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.830 -11.133 -1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.738 -12.415 -0.233 1.00 0.00 H new ATOM 1815 N LYS A 116 18.137 -11.117 -2.885 1.00 0.00 N ATOM 1816 CA LYS A 116 19.404 -10.529 -3.393 1.00 0.00 C ATOM 1817 C LYS A 116 19.135 -9.360 -4.339 1.00 0.00 C ATOM 1818 O LYS A 116 19.291 -9.481 -5.537 1.00 0.00 O ATOM 1819 CB LYS A 116 20.186 -11.604 -4.151 1.00 0.00 C ATOM 1820 CG LYS A 116 21.488 -11.912 -3.407 1.00 0.00 C ATOM 1821 CD LYS A 116 21.177 -12.694 -2.130 1.00 0.00 C ATOM 1822 CE LYS A 116 22.428 -13.449 -1.677 1.00 0.00 C ATOM 1823 NZ LYS A 116 23.593 -12.519 -1.667 1.00 0.00 N ATOM 0 H LYS A 116 17.487 -11.433 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 116 19.975 -10.162 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.585 -12.509 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.405 -11.263 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 116 22.156 -12.490 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.006 -10.985 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.846 -12.013 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.361 -13.395 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.274 -13.866 -0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.623 -14.286 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 24.328 -12.891 -1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.977 -12.434 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 23.287 -11.583 -1.332 1.00 0.00 H new ATOM 1837 N TRP A 117 18.758 -8.220 -3.829 1.00 0.00 N ATOM 1838 CA TRP A 117 18.521 -7.068 -4.739 1.00 0.00 C ATOM 1839 C TRP A 117 19.758 -6.883 -5.622 1.00 0.00 C ATOM 1840 O TRP A 117 20.831 -7.357 -5.305 1.00 0.00 O ATOM 1841 CB TRP A 117 18.281 -5.801 -3.920 1.00 0.00 C ATOM 1842 CG TRP A 117 16.828 -5.694 -3.594 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.297 -5.870 -2.362 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.711 -5.397 -4.484 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.929 -5.698 -2.437 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.518 -5.403 -3.723 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.615 -5.123 -5.863 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.277 -5.146 -4.306 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.370 -4.863 -6.450 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.202 -4.874 -5.676 1.00 0.00 C ATOM 0 H TRP A 117 18.606 -8.039 -2.837 1.00 0.00 H new ATOM 0 HA TRP A 117 17.644 -7.258 -5.358 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.870 -5.829 -3.003 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.605 -4.924 -4.481 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.852 -6.106 -1.466 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.298 -5.779 -1.640 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.507 -5.113 -6.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.381 -5.157 -3.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.310 -4.652 -7.508 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.246 -4.673 -6.136 1.00 0.00 H new ATOM 1861 N VAL A 118 19.621 -6.207 -6.727 1.00 0.00 N ATOM 1862 CA VAL A 118 20.794 -6.007 -7.626 1.00 0.00 C ATOM 1863 C VAL A 118 20.641 -4.682 -8.372 1.00 0.00 C ATOM 1864 O VAL A 118 19.744 -3.911 -8.104 1.00 0.00 O ATOM 1865 CB VAL A 118 20.873 -7.157 -8.640 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.829 -8.230 -8.130 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.491 -7.780 -8.825 1.00 0.00 C ATOM 0 H VAL A 118 18.750 -5.784 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 118 21.706 -5.989 -7.030 1.00 0.00 H new ATOM 0 HB VAL A 118 21.232 -6.763 -9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.882 -9.044 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.821 -7.799 -7.996 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.468 -8.615 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.553 -8.595 -9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.135 -8.166 -7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.797 -7.024 -9.192 1.00 0.00 H new ATOM 1877 N GLU A 119 21.509 -4.412 -9.308 1.00 0.00 N ATOM 1878 CA GLU A 119 21.408 -3.134 -10.070 1.00 0.00 C ATOM 1879 C GLU A 119 21.650 -3.405 -11.556 1.00 0.00 C ATOM 1880 O GLU A 119 22.484 -4.208 -11.923 1.00 0.00 O ATOM 1881 CB GLU A 119 22.459 -2.148 -9.554 1.00 0.00 C ATOM 1882 CG GLU A 119 22.072 -1.675 -8.152 1.00 0.00 C ATOM 1883 CD GLU A 119 23.328 -1.563 -7.285 1.00 0.00 C ATOM 1884 OE1 GLU A 119 24.345 -1.131 -7.803 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.251 -1.913 -6.119 1.00 0.00 O ATOM 0 H GLU A 119 22.283 -5.019 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 119 20.413 -2.709 -9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.439 -2.624 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.535 -1.295 -10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.569 -0.710 -8.208 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.368 -2.375 -7.702 1.00 0.00 H new ATOM 1892 N GLY A 120 20.927 -2.740 -12.415 1.00 0.00 N ATOM 1893 CA GLY A 120 21.116 -2.958 -13.877 1.00 0.00 C ATOM 1894 C GLY A 120 21.519 -1.642 -14.542 1.00 0.00 C ATOM 1895 O GLY A 120 22.340 -0.903 -14.033 1.00 0.00 O ATOM 0 H GLY A 120 20.213 -2.055 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.884 -3.713 -14.046 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.195 -3.335 -14.321 1.00 0.00 H new