USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 750 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 28 THR OG1 : rot -62:sc= 0.00262 USER MOD Set 1.2: A 111 TYR OH : rot 150:sc= 0.00331 USER MOD Set 2.1: A 37 THR OG1 : rot 180:sc= 0.999 USER MOD Set 2.2: A 77 SER OG : rot 120:sc= 1.17 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00073 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -150:sc= -2.34 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.8! C(o=-1.8!,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -0.835 K(o=-0.84,f=-1.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0223 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -1.03 (180deg=-2.03!) USER MOD Single : A 88 SER OG : rot 180:sc= -0.718 USER MOD Single : A 89 TYR OH : rot -152:sc= -0.2 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -6.21! C(o=-6.2!,f=-21!) USER MOD Single : A 98 MET CE :methyl -160:sc= -0.0117 (180deg=-0.665) USER MOD Single : A 102 SER OG : rot -165:sc= 0.582 USER MOD Single : A 105 SER OG : rot 83:sc= 0.73 USER MOD Single : A 108 SER OG : rot -104:sc= 1.25 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 169 N LEU A 15 -20.397 -13.163 -2.283 1.00 0.00 N ATOM 170 CA LEU A 15 -19.050 -13.003 -1.748 1.00 0.00 C ATOM 171 C LEU A 15 -18.814 -11.570 -1.284 1.00 0.00 C ATOM 172 O LEU A 15 -19.727 -10.744 -1.297 1.00 0.00 O ATOM 173 CB LEU A 15 -18.013 -13.386 -2.806 1.00 0.00 C ATOM 174 CG LEU A 15 -17.710 -14.879 -2.940 1.00 0.00 C ATOM 175 CD1 LEU A 15 -17.304 -15.215 -4.367 1.00 0.00 C ATOM 176 CD2 LEU A 15 -16.620 -15.292 -1.962 1.00 0.00 C ATOM 0 HA LEU A 15 -18.946 -13.664 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.356 -13.017 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.082 -12.866 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.615 -15.437 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.092 -16.281 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.116 -14.957 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.412 -14.648 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -16.418 -16.357 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.711 -14.727 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -16.949 -15.088 -0.943 1.00 0.00 H new ATOM 188 N SER A 16 -17.583 -11.280 -0.876 1.00 0.00 N ATOM 189 CA SER A 16 -17.226 -9.947 -0.406 1.00 0.00 C ATOM 190 C SER A 16 -15.869 -9.522 -0.955 1.00 0.00 C ATOM 191 O SER A 16 -15.058 -10.344 -1.382 1.00 0.00 O ATOM 192 CB SER A 16 -17.205 -9.912 1.123 1.00 0.00 C ATOM 193 OG SER A 16 -16.787 -11.156 1.657 1.00 0.00 O ATOM 0 H SER A 16 -16.815 -11.951 -0.861 1.00 0.00 H new ATOM 0 HA SER A 16 -17.979 -9.247 -0.768 1.00 0.00 H new ATOM 0 HB2 SER A 16 -16.534 -9.123 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 16 -18.199 -9.668 1.498 1.00 0.00 H new ATOM 0 HG SER A 16 -16.781 -11.106 2.636 1.00 0.00 H new ATOM 199 N PRO A 17 -15.613 -8.205 -0.944 1.00 0.00 N ATOM 200 CA PRO A 17 -14.353 -7.639 -1.437 1.00 0.00 C ATOM 201 C PRO A 17 -13.173 -7.975 -0.532 1.00 0.00 C ATOM 202 O PRO A 17 -13.336 -8.490 0.575 1.00 0.00 O ATOM 203 CB PRO A 17 -14.617 -6.131 -1.434 1.00 0.00 C ATOM 204 CG PRO A 17 -15.675 -5.933 -0.403 1.00 0.00 C ATOM 205 CD PRO A 17 -16.533 -7.167 -0.449 1.00 0.00 C ATOM 0 HA PRO A 17 -14.083 -8.037 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.715 -5.572 -1.187 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.949 -5.785 -2.413 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.236 -5.799 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -16.264 -5.040 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -16.929 -7.418 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -17.387 -7.038 -1.113 1.00 0.00 H new ATOM 213 N PRO A 18 -11.957 -7.678 -1.011 1.00 0.00 N ATOM 214 CA PRO A 18 -10.725 -7.940 -0.259 1.00 0.00 C ATOM 215 C PRO A 18 -10.579 -7.025 0.951 1.00 0.00 C ATOM 216 O PRO A 18 -11.100 -5.910 0.964 1.00 0.00 O ATOM 217 CB PRO A 18 -9.620 -7.656 -1.280 1.00 0.00 C ATOM 218 CG PRO A 18 -10.232 -6.699 -2.244 1.00 0.00 C ATOM 219 CD PRO A 18 -11.688 -7.064 -2.322 1.00 0.00 C ATOM 0 HA PRO A 18 -10.702 -8.952 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.740 -7.227 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.298 -8.570 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.105 -5.670 -1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.758 -6.774 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.313 -6.187 -2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.885 -7.758 -3.139 1.00 0.00 H new ATOM 227 N GLU A 19 -9.867 -7.504 1.967 1.00 0.00 N ATOM 228 CA GLU A 19 -9.654 -6.729 3.183 1.00 0.00 C ATOM 229 C GLU A 19 -8.293 -6.036 3.155 1.00 0.00 C ATOM 230 O GLU A 19 -7.402 -6.426 2.402 1.00 0.00 O ATOM 231 CB GLU A 19 -9.754 -7.631 4.415 1.00 0.00 C ATOM 232 CG GLU A 19 -8.456 -8.342 4.755 1.00 0.00 C ATOM 233 CD GLU A 19 -8.589 -9.254 5.959 1.00 0.00 C ATOM 234 OE1 GLU A 19 -9.318 -8.888 6.904 1.00 0.00 O ATOM 235 OE2 GLU A 19 -7.965 -10.336 5.956 1.00 0.00 O ATOM 0 H GLU A 19 -9.428 -8.425 1.971 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.431 -5.966 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.064 -7.031 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.533 -8.375 4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.130 -8.927 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.680 -7.601 4.949 1.00 0.00 H new ATOM 242 N ALA A 20 -8.143 -5.007 3.982 1.00 0.00 N ATOM 243 CA ALA A 20 -6.892 -4.261 4.054 1.00 0.00 C ATOM 244 C ALA A 20 -5.720 -5.185 4.366 1.00 0.00 C ATOM 245 O ALA A 20 -5.706 -5.890 5.376 1.00 0.00 O ATOM 246 CB ALA A 20 -6.994 -3.161 5.100 1.00 0.00 C ATOM 0 H ALA A 20 -8.872 -4.671 4.612 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.712 -3.805 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.053 -2.612 5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.801 -2.478 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.201 -3.604 6.074 1.00 0.00 H new ATOM 252 N PRO A 21 -4.713 -5.184 3.481 1.00 0.00 N ATOM 253 CA PRO A 21 -3.517 -6.017 3.641 1.00 0.00 C ATOM 254 C PRO A 21 -2.635 -5.548 4.793 1.00 0.00 C ATOM 255 O PRO A 21 -2.808 -4.446 5.312 1.00 0.00 O ATOM 256 CB PRO A 21 -2.787 -5.851 2.306 1.00 0.00 C ATOM 257 CG PRO A 21 -3.244 -4.530 1.787 1.00 0.00 C ATOM 258 CD PRO A 21 -4.663 -4.369 2.255 1.00 0.00 C ATOM 0 HA PRO A 21 -3.769 -7.051 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.706 -5.871 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.037 -6.656 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.615 -3.724 2.164 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.186 -4.497 0.699 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.904 -3.325 2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.375 -4.722 1.509 1.00 0.00 H new ATOM 266 N ASP A 22 -1.689 -6.393 5.189 1.00 0.00 N ATOM 267 CA ASP A 22 -0.777 -6.065 6.278 1.00 0.00 C ATOM 268 C ASP A 22 -0.123 -4.706 6.049 1.00 0.00 C ATOM 269 O ASP A 22 -0.307 -4.087 5.001 1.00 0.00 O ATOM 270 CB ASP A 22 0.297 -7.145 6.417 1.00 0.00 C ATOM 271 CG ASP A 22 0.883 -7.203 7.814 1.00 0.00 C ATOM 272 OD1 ASP A 22 0.100 -7.183 8.786 1.00 0.00 O ATOM 273 OD2 ASP A 22 2.124 -7.269 7.935 1.00 0.00 O ATOM 0 H ASP A 22 -1.534 -7.311 4.772 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.355 -6.019 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.133 -8.115 6.166 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.095 -6.954 5.699 1.00 0.00 H new ATOM 278 N ARG A 23 0.640 -4.248 7.037 1.00 0.00 N ATOM 279 CA ARG A 23 1.320 -2.962 6.943 1.00 0.00 C ATOM 280 C ARG A 23 2.597 -3.080 6.118 1.00 0.00 C ATOM 281 O ARG A 23 3.490 -3.870 6.421 1.00 0.00 O ATOM 282 CB ARG A 23 1.649 -2.433 8.339 1.00 0.00 C ATOM 283 CG ARG A 23 2.258 -1.040 8.335 1.00 0.00 C ATOM 284 CD ARG A 23 2.856 -0.689 9.690 1.00 0.00 C ATOM 285 NE ARG A 23 1.825 -0.402 10.684 1.00 0.00 N ATOM 286 CZ ARG A 23 2.071 0.196 11.845 1.00 0.00 C ATOM 287 NH1 ARG A 23 3.306 0.568 12.155 1.00 0.00 N ATOM 288 NH2 ARG A 23 1.081 0.422 12.699 1.00 0.00 N ATOM 0 H ARG A 23 0.802 -4.748 7.911 1.00 0.00 H new ATOM 0 HA ARG A 23 0.650 -2.261 6.444 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.738 -2.420 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.340 -3.121 8.825 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.031 -0.982 7.569 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.494 -0.308 8.073 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.476 -1.515 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.510 0.177 9.585 1.00 0.00 H new ATOM 0 HE ARG A 23 0.865 -0.675 10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.070 0.395 11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.492 1.027 13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.130 0.137 12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.271 0.881 13.590 1.00 0.00 H new ATOM 302 N PRO A 24 2.686 -2.277 5.048 1.00 0.00 N ATOM 303 CA PRO A 24 3.851 -2.273 4.155 1.00 0.00 C ATOM 304 C PRO A 24 5.089 -1.686 4.822 1.00 0.00 C ATOM 305 O PRO A 24 5.000 -0.725 5.588 1.00 0.00 O ATOM 306 CB PRO A 24 3.401 -1.389 2.990 1.00 0.00 C ATOM 307 CG PRO A 24 2.358 -0.497 3.570 1.00 0.00 C ATOM 308 CD PRO A 24 1.659 -1.310 4.625 1.00 0.00 C ATOM 0 HA PRO A 24 4.140 -3.281 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.234 -0.813 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.000 -1.987 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.806 0.399 4.000 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.657 -0.166 2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.326 -0.688 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 24 0.776 -1.810 4.227 1.00 0.00 H new ATOM 316 N THR A 25 6.247 -2.268 4.526 1.00 0.00 N ATOM 317 CA THR A 25 7.505 -1.803 5.097 1.00 0.00 C ATOM 318 C THR A 25 8.189 -0.799 4.177 1.00 0.00 C ATOM 319 O THR A 25 7.808 -0.647 3.016 1.00 0.00 O ATOM 320 CB THR A 25 8.467 -2.976 5.366 1.00 0.00 C ATOM 321 OG1 THR A 25 9.555 -2.537 6.189 1.00 0.00 O ATOM 322 CG2 THR A 25 9.007 -3.542 4.062 1.00 0.00 C ATOM 0 H THR A 25 6.340 -3.063 3.894 1.00 0.00 H new ATOM 0 HA THR A 25 7.263 -1.318 6.042 1.00 0.00 H new ATOM 0 HB THR A 25 7.914 -3.761 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.162 -3.288 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.684 -4.369 4.277 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.179 -3.900 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.546 -2.763 3.523 1.00 0.00 H new ATOM 330 N ILE A 26 9.202 -0.118 4.700 1.00 0.00 N ATOM 331 CA ILE A 26 9.941 0.870 3.924 1.00 0.00 C ATOM 332 C ILE A 26 11.440 0.600 3.973 1.00 0.00 C ATOM 333 O ILE A 26 12.031 0.513 5.049 1.00 0.00 O ATOM 334 CB ILE A 26 9.672 2.300 4.429 1.00 0.00 C ATOM 335 CG1 ILE A 26 8.181 2.490 4.721 1.00 0.00 C ATOM 336 CG2 ILE A 26 10.151 3.322 3.410 1.00 0.00 C ATOM 337 CD1 ILE A 26 7.285 2.084 3.573 1.00 0.00 C ATOM 0 H ILE A 26 9.530 -0.232 5.659 1.00 0.00 H new ATOM 0 HA ILE A 26 9.593 0.785 2.895 1.00 0.00 H new ATOM 0 HB ILE A 26 10.227 2.452 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.915 1.908 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.997 3.537 4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.953 4.327 3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 26 11.222 3.199 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.622 3.173 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.243 2.245 3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.524 2.684 2.695 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.441 1.029 3.345 1.00 0.00 H new ATOM 349 N SER A 27 12.051 0.468 2.800 1.00 0.00 N ATOM 350 CA SER A 27 13.483 0.204 2.709 1.00 0.00 C ATOM 351 C SER A 27 14.160 1.202 1.774 1.00 0.00 C ATOM 352 O SER A 27 13.500 2.035 1.151 1.00 0.00 O ATOM 353 CB SER A 27 13.731 -1.222 2.216 1.00 0.00 C ATOM 354 OG SER A 27 13.804 -2.131 3.302 1.00 0.00 O ATOM 0 H SER A 27 11.577 0.539 1.900 1.00 0.00 H new ATOM 0 HA SER A 27 13.912 0.315 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.930 -1.521 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.659 -1.257 1.645 1.00 0.00 H new ATOM 0 HG SER A 27 13.961 -3.036 2.961 1.00 0.00 H new ATOM 360 N THR A 28 15.484 1.112 1.682 1.00 0.00 N ATOM 361 CA THR A 28 16.253 2.006 0.825 1.00 0.00 C ATOM 362 C THR A 28 16.500 1.378 -0.542 1.00 0.00 C ATOM 363 O THR A 28 17.379 0.531 -0.696 1.00 0.00 O ATOM 364 CB THR A 28 17.606 2.370 1.463 1.00 0.00 C ATOM 365 OG1 THR A 28 17.419 2.732 2.836 1.00 0.00 O ATOM 366 CG2 THR A 28 18.265 3.520 0.716 1.00 0.00 C ATOM 0 H THR A 28 16.045 0.429 2.191 1.00 0.00 H new ATOM 0 HA THR A 28 15.662 2.914 0.703 1.00 0.00 H new ATOM 0 HB THR A 28 18.257 1.498 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.840 3.521 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.219 3.759 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.433 3.231 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.615 4.395 0.748 1.00 0.00 H new ATOM 374 N ALA A 29 15.721 1.801 -1.532 1.00 0.00 N ATOM 375 CA ALA A 29 15.859 1.283 -2.887 1.00 0.00 C ATOM 376 C ALA A 29 16.597 2.272 -3.782 1.00 0.00 C ATOM 377 O ALA A 29 17.439 1.884 -4.590 1.00 0.00 O ATOM 378 CB ALA A 29 14.491 0.959 -3.471 1.00 0.00 C ATOM 0 H ALA A 29 14.988 2.501 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 29 16.448 0.367 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 29 14.610 0.573 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.000 0.208 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.883 1.863 -3.496 1.00 0.00 H new ATOM 384 N SER A 30 16.275 3.554 -3.632 1.00 0.00 N ATOM 385 CA SER A 30 16.904 4.599 -4.430 1.00 0.00 C ATOM 386 C SER A 30 16.817 5.948 -3.723 1.00 0.00 C ATOM 387 O SER A 30 16.298 6.046 -2.611 1.00 0.00 O ATOM 388 CB SER A 30 16.241 4.689 -5.805 1.00 0.00 C ATOM 389 OG SER A 30 17.155 5.157 -6.782 1.00 0.00 O ATOM 0 H SER A 30 15.582 3.893 -2.965 1.00 0.00 H new ATOM 0 HA SER A 30 17.955 4.341 -4.557 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.864 3.708 -6.095 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.382 5.359 -5.755 1.00 0.00 H new ATOM 0 HG SER A 30 16.708 5.204 -7.653 1.00 0.00 H new ATOM 395 N GLU A 31 17.330 6.986 -4.376 1.00 0.00 N ATOM 396 CA GLU A 31 17.311 8.330 -3.810 1.00 0.00 C ATOM 397 C GLU A 31 15.954 8.992 -4.025 1.00 0.00 C ATOM 398 O GLU A 31 15.595 9.942 -3.328 1.00 0.00 O ATOM 399 CB GLU A 31 18.414 9.186 -4.436 1.00 0.00 C ATOM 400 CG GLU A 31 18.088 10.670 -4.468 1.00 0.00 C ATOM 401 CD GLU A 31 19.127 11.480 -5.221 1.00 0.00 C ATOM 402 OE1 GLU A 31 20.256 11.617 -4.707 1.00 0.00 O ATOM 403 OE2 GLU A 31 18.809 11.975 -6.322 1.00 0.00 O ATOM 0 H GLU A 31 17.764 6.922 -5.297 1.00 0.00 H new ATOM 0 HA GLU A 31 17.489 8.248 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 19.338 9.038 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.597 8.841 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.113 10.814 -4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.012 11.044 -3.447 1.00 0.00 H new ATOM 410 N THR A 32 15.201 8.485 -4.997 1.00 0.00 N ATOM 411 CA THR A 32 13.885 9.027 -5.306 1.00 0.00 C ATOM 412 C THR A 32 12.806 7.958 -5.178 1.00 0.00 C ATOM 413 O THR A 32 11.638 8.201 -5.481 1.00 0.00 O ATOM 414 CB THR A 32 13.840 9.616 -6.729 1.00 0.00 C ATOM 415 OG1 THR A 32 14.439 8.705 -7.657 1.00 0.00 O ATOM 416 CG2 THR A 32 14.566 10.953 -6.783 1.00 0.00 C ATOM 0 H THR A 32 15.481 7.699 -5.584 1.00 0.00 H new ATOM 0 HA THR A 32 13.694 9.822 -4.585 1.00 0.00 H new ATOM 0 HB THR A 32 12.796 9.774 -7.000 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.404 9.087 -8.559 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.522 11.350 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.089 11.654 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 32 15.607 10.813 -6.493 1.00 0.00 H new ATOM 424 N SER A 33 13.205 6.773 -4.728 1.00 0.00 N ATOM 425 CA SER A 33 12.271 5.664 -4.562 1.00 0.00 C ATOM 426 C SER A 33 12.564 4.894 -3.278 1.00 0.00 C ATOM 427 O SER A 33 13.530 5.185 -2.573 1.00 0.00 O ATOM 428 CB SER A 33 12.348 4.721 -5.765 1.00 0.00 C ATOM 429 OG SER A 33 13.588 4.035 -5.796 1.00 0.00 O ATOM 0 H SER A 33 14.168 6.555 -4.472 1.00 0.00 H new ATOM 0 HA SER A 33 11.264 6.076 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.531 4.001 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.220 5.290 -6.686 1.00 0.00 H new ATOM 0 HG SER A 33 13.829 3.836 -6.725 1.00 0.00 H new ATOM 435 N VAL A 34 11.722 3.910 -2.980 1.00 0.00 N ATOM 436 CA VAL A 34 11.890 3.096 -1.782 1.00 0.00 C ATOM 437 C VAL A 34 11.251 1.722 -1.957 1.00 0.00 C ATOM 438 O VAL A 34 10.203 1.590 -2.590 1.00 0.00 O ATOM 439 CB VAL A 34 11.275 3.782 -0.548 1.00 0.00 C ATOM 440 CG1 VAL A 34 11.959 5.115 -0.283 1.00 0.00 C ATOM 441 CG2 VAL A 34 9.778 3.969 -0.732 1.00 0.00 C ATOM 0 H VAL A 34 10.916 3.657 -3.552 1.00 0.00 H new ATOM 0 HA VAL A 34 12.962 2.978 -1.627 1.00 0.00 H new ATOM 0 HB VAL A 34 11.433 3.140 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.512 5.586 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.021 4.949 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.835 5.766 -1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.361 4.455 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.594 4.589 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.304 2.997 -0.869 1.00 0.00 H new ATOM 451 N TYR A 35 11.889 0.703 -1.391 1.00 0.00 N ATOM 452 CA TYR A 35 11.385 -0.661 -1.487 1.00 0.00 C ATOM 453 C TYR A 35 10.259 -0.897 -0.484 1.00 0.00 C ATOM 454 O TYR A 35 10.462 -0.810 0.727 1.00 0.00 O ATOM 455 CB TYR A 35 12.515 -1.663 -1.245 1.00 0.00 C ATOM 456 CG TYR A 35 13.397 -1.882 -2.453 1.00 0.00 C ATOM 457 CD1 TYR A 35 12.846 -2.119 -3.707 1.00 0.00 C ATOM 458 CD2 TYR A 35 14.782 -1.853 -2.341 1.00 0.00 C ATOM 459 CE1 TYR A 35 13.649 -2.321 -4.813 1.00 0.00 C ATOM 460 CE2 TYR A 35 15.592 -2.053 -3.442 1.00 0.00 C ATOM 461 CZ TYR A 35 15.021 -2.287 -4.676 1.00 0.00 C ATOM 462 OH TYR A 35 15.824 -2.486 -5.775 1.00 0.00 O ATOM 0 H TYR A 35 12.756 0.796 -0.861 1.00 0.00 H new ATOM 0 HA TYR A 35 10.989 -0.805 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 35 13.129 -1.312 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 35 12.085 -2.617 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.772 -2.146 -3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 35 15.233 -1.671 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.205 -2.505 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 35 16.667 -2.026 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 35 16.765 -2.429 -5.507 1.00 0.00 H new ATOM 472 N VAL A 36 9.070 -1.195 -0.999 1.00 0.00 N ATOM 473 CA VAL A 36 7.911 -1.445 -0.150 1.00 0.00 C ATOM 474 C VAL A 36 7.481 -2.906 -0.223 1.00 0.00 C ATOM 475 O VAL A 36 7.301 -3.458 -1.309 1.00 0.00 O ATOM 476 CB VAL A 36 6.722 -0.551 -0.547 1.00 0.00 C ATOM 477 CG1 VAL A 36 5.541 -0.788 0.382 1.00 0.00 C ATOM 478 CG2 VAL A 36 7.131 0.914 -0.540 1.00 0.00 C ATOM 0 H VAL A 36 8.884 -1.269 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 36 8.209 -1.208 0.871 1.00 0.00 H new ATOM 0 HB VAL A 36 6.415 -0.814 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.711 -0.147 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.234 -1.832 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.831 -0.555 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.278 1.531 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.466 1.194 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.943 1.069 -1.251 1.00 0.00 H new ATOM 488 N THR A 37 7.317 -3.528 0.941 1.00 0.00 N ATOM 489 CA THR A 37 6.909 -4.925 1.009 1.00 0.00 C ATOM 490 C THR A 37 5.718 -5.105 1.943 1.00 0.00 C ATOM 491 O THR A 37 5.805 -4.820 3.137 1.00 0.00 O ATOM 492 CB THR A 37 8.064 -5.825 1.489 1.00 0.00 C ATOM 493 OG1 THR A 37 9.224 -5.609 0.678 1.00 0.00 O ATOM 494 CG2 THR A 37 7.666 -7.292 1.434 1.00 0.00 C ATOM 0 H THR A 37 7.461 -3.086 1.849 1.00 0.00 H new ATOM 0 HA THR A 37 6.623 -5.220 -0.001 1.00 0.00 H new ATOM 0 HB THR A 37 8.291 -5.565 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 37 9.954 -6.184 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.497 -7.908 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.801 -7.459 2.076 1.00 0.00 H new ATOM 0 HG23 THR A 37 7.414 -7.562 0.409 1.00 0.00 H new ATOM 502 N TRP A 38 4.606 -5.579 1.392 1.00 0.00 N ATOM 503 CA TRP A 38 3.397 -5.798 2.178 1.00 0.00 C ATOM 504 C TRP A 38 2.997 -7.268 2.164 1.00 0.00 C ATOM 505 O TRP A 38 3.537 -8.061 1.391 1.00 0.00 O ATOM 506 CB TRP A 38 2.252 -4.939 1.638 1.00 0.00 C ATOM 507 CG TRP A 38 1.802 -5.343 0.266 1.00 0.00 C ATOM 508 CD1 TRP A 38 0.734 -6.135 -0.046 1.00 0.00 C ATOM 509 CD2 TRP A 38 2.410 -4.977 -0.977 1.00 0.00 C ATOM 510 NE1 TRP A 38 0.640 -6.282 -1.409 1.00 0.00 N ATOM 511 CE2 TRP A 38 1.657 -5.581 -2.003 1.00 0.00 C ATOM 512 CE3 TRP A 38 3.515 -4.196 -1.324 1.00 0.00 C ATOM 513 CZ2 TRP A 38 1.976 -5.429 -3.350 1.00 0.00 C ATOM 514 CZ3 TRP A 38 3.832 -4.046 -2.661 1.00 0.00 C ATOM 515 CH2 TRP A 38 3.064 -4.658 -3.661 1.00 0.00 C ATOM 0 H TRP A 38 4.517 -5.819 0.405 1.00 0.00 H new ATOM 0 HA TRP A 38 3.605 -5.509 3.208 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.406 -5.001 2.323 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.569 -3.896 1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 38 0.062 -6.580 0.673 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -0.071 -6.825 -1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.111 -3.718 -0.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 1.387 -5.902 -4.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.686 -3.447 -2.940 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.336 -4.519 -4.697 1.00 0.00 H new ATOM 526 N ILE A 39 2.047 -7.627 3.020 1.00 0.00 N ATOM 527 CA ILE A 39 1.574 -9.004 3.105 1.00 0.00 C ATOM 528 C ILE A 39 0.051 -9.061 3.133 1.00 0.00 C ATOM 529 O ILE A 39 -0.591 -8.700 4.121 1.00 0.00 O ATOM 530 CB ILE A 39 2.127 -9.713 4.354 1.00 0.00 C ATOM 531 CG1 ILE A 39 3.652 -9.595 4.402 1.00 0.00 C ATOM 532 CG2 ILE A 39 1.704 -11.175 4.363 1.00 0.00 C ATOM 533 CD1 ILE A 39 4.359 -10.483 3.404 1.00 0.00 C ATOM 0 H ILE A 39 1.589 -6.983 3.665 1.00 0.00 H new ATOM 0 HA ILE A 39 1.938 -9.518 2.215 1.00 0.00 H new ATOM 0 HB ILE A 39 1.716 -9.229 5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.934 -8.558 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.996 -9.845 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.102 -11.664 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.616 -11.239 4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.090 -11.671 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.437 -10.347 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.107 -11.525 3.602 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.044 -10.219 2.395 1.00 0.00 H new ATOM 545 N PRO A 40 -0.545 -9.526 2.025 1.00 0.00 N ATOM 546 CA PRO A 40 -2.001 -9.644 1.899 1.00 0.00 C ATOM 547 C PRO A 40 -2.572 -10.745 2.786 1.00 0.00 C ATOM 548 O PRO A 40 -1.967 -11.805 2.942 1.00 0.00 O ATOM 549 CB PRO A 40 -2.202 -9.990 0.421 1.00 0.00 C ATOM 550 CG PRO A 40 -0.927 -10.639 0.007 1.00 0.00 C ATOM 551 CD PRO A 40 0.157 -9.973 0.809 1.00 0.00 C ATOM 0 HA PRO A 40 -2.512 -8.734 2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.050 -10.660 0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.402 -9.097 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.954 -11.711 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.754 -10.514 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.966 -10.665 1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.599 -9.136 0.269 1.00 0.00 H new ATOM 559 N ARG A 41 -3.740 -10.485 3.365 1.00 0.00 N ATOM 560 CA ARG A 41 -4.393 -11.454 4.237 1.00 0.00 C ATOM 561 C ARG A 41 -5.642 -12.028 3.575 1.00 0.00 C ATOM 562 O ARG A 41 -5.671 -13.194 3.187 1.00 0.00 O ATOM 563 CB ARG A 41 -4.763 -10.803 5.572 1.00 0.00 C ATOM 564 CG ARG A 41 -3.757 -9.765 6.042 1.00 0.00 C ATOM 565 CD ARG A 41 -2.355 -10.346 6.126 1.00 0.00 C ATOM 566 NE ARG A 41 -2.073 -10.906 7.445 1.00 0.00 N ATOM 567 CZ ARG A 41 -1.171 -11.857 7.662 1.00 0.00 C ATOM 568 NH1 ARG A 41 -0.468 -12.350 6.653 1.00 0.00 N ATOM 569 NH2 ARG A 41 -0.972 -12.316 8.891 1.00 0.00 N ATOM 0 H ARG A 41 -4.253 -9.612 3.246 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.693 -12.269 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.742 -10.332 5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.854 -11.579 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.760 -8.917 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.054 -9.386 7.020 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.238 -11.123 5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.626 -9.568 5.899 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.597 -10.547 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.619 -11.999 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.224 -13.080 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.512 -11.939 9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.279 -13.046 9.057 1.00 0.00 H new ATOM 583 N GLY A 42 -6.673 -11.197 3.449 1.00 0.00 N ATOM 584 CA GLY A 42 -7.910 -11.640 2.833 1.00 0.00 C ATOM 585 C GLY A 42 -8.105 -11.066 1.444 1.00 0.00 C ATOM 586 O GLY A 42 -7.686 -9.944 1.164 1.00 0.00 O ATOM 0 H GLY A 42 -6.673 -10.226 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.914 -12.729 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.750 -11.350 3.464 1.00 0.00 H new ATOM 590 N ASN A 43 -8.741 -11.839 0.570 1.00 0.00 N ATOM 591 CA ASN A 43 -8.989 -11.402 -0.799 1.00 0.00 C ATOM 592 C ASN A 43 -10.484 -11.237 -1.056 1.00 0.00 C ATOM 593 O ASN A 43 -10.902 -10.920 -2.169 1.00 0.00 O ATOM 594 CB ASN A 43 -8.396 -12.404 -1.792 1.00 0.00 C ATOM 595 CG ASN A 43 -8.996 -13.789 -1.642 1.00 0.00 C ATOM 596 OD1 ASN A 43 -9.803 -14.035 -0.745 1.00 0.00 O ATOM 597 ND2 ASN A 43 -8.602 -14.702 -2.522 1.00 0.00 N ATOM 0 H ASN A 43 -9.094 -12.771 0.785 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.506 -10.435 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.563 -12.047 -2.808 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.317 -12.460 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.970 -15.652 -2.471 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.931 -14.453 -3.249 1.00 0.00 H new ATOM 604 N GLY A 44 -11.285 -11.456 -0.018 1.00 0.00 N ATOM 605 CA GLY A 44 -12.725 -11.328 -0.152 1.00 0.00 C ATOM 606 C GLY A 44 -13.374 -12.595 -0.668 1.00 0.00 C ATOM 607 O GLY A 44 -14.585 -12.639 -0.881 1.00 0.00 O ATOM 0 H GLY A 44 -10.963 -11.720 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.155 -11.071 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.952 -10.505 -0.830 1.00 0.00 H new ATOM 611 N GLY A 45 -12.567 -13.632 -0.874 1.00 0.00 N ATOM 612 CA GLY A 45 -13.089 -14.892 -1.369 1.00 0.00 C ATOM 613 C GLY A 45 -12.709 -15.148 -2.814 1.00 0.00 C ATOM 614 O GLY A 45 -12.828 -16.272 -3.304 1.00 0.00 O ATOM 0 H GLY A 45 -11.561 -13.621 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.715 -15.706 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.175 -14.894 -1.276 1.00 0.00 H new ATOM 618 N PHE A 46 -12.252 -14.105 -3.498 1.00 0.00 N ATOM 619 CA PHE A 46 -11.857 -14.222 -4.897 1.00 0.00 C ATOM 620 C PHE A 46 -10.377 -13.891 -5.073 1.00 0.00 C ATOM 621 O PHE A 46 -9.748 -13.271 -4.216 1.00 0.00 O ATOM 622 CB PHE A 46 -12.706 -13.295 -5.769 1.00 0.00 C ATOM 623 CG PHE A 46 -13.944 -13.949 -6.311 1.00 0.00 C ATOM 624 CD1 PHE A 46 -13.881 -15.205 -6.895 1.00 0.00 C ATOM 625 CD2 PHE A 46 -15.171 -13.310 -6.238 1.00 0.00 C ATOM 626 CE1 PHE A 46 -15.018 -15.810 -7.395 1.00 0.00 C ATOM 627 CE2 PHE A 46 -16.312 -13.910 -6.736 1.00 0.00 C ATOM 628 CZ PHE A 46 -16.236 -15.162 -7.314 1.00 0.00 C ATOM 0 H PHE A 46 -12.146 -13.169 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.021 -15.253 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.993 -12.421 -5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.100 -12.937 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.932 -15.716 -6.960 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.237 -12.331 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.955 -16.788 -7.849 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.262 -13.400 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.127 -15.634 -7.702 1.00 0.00 H new ATOM 638 N PRO A 47 -9.808 -14.314 -6.212 1.00 0.00 N ATOM 639 CA PRO A 47 -8.397 -14.075 -6.528 1.00 0.00 C ATOM 640 C PRO A 47 -8.109 -12.605 -6.816 1.00 0.00 C ATOM 641 O PRO A 47 -8.612 -12.044 -7.790 1.00 0.00 O ATOM 642 CB PRO A 47 -8.167 -14.920 -7.783 1.00 0.00 C ATOM 643 CG PRO A 47 -9.512 -15.040 -8.412 1.00 0.00 C ATOM 644 CD PRO A 47 -10.500 -15.059 -7.278 1.00 0.00 C ATOM 0 HA PRO A 47 -7.743 -14.336 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.456 -14.442 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.759 -15.899 -7.532 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.705 -14.203 -9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.584 -15.950 -9.008 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.440 -14.583 -7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.737 -16.077 -6.968 1.00 0.00 H new ATOM 652 N ILE A 48 -7.298 -11.988 -5.964 1.00 0.00 N ATOM 653 CA ILE A 48 -6.943 -10.584 -6.127 1.00 0.00 C ATOM 654 C ILE A 48 -6.524 -10.288 -7.564 1.00 0.00 C ATOM 655 O ILE A 48 -5.702 -11.001 -8.140 1.00 0.00 O ATOM 656 CB ILE A 48 -5.801 -10.177 -5.178 1.00 0.00 C ATOM 657 CG1 ILE A 48 -6.277 -10.225 -3.724 1.00 0.00 C ATOM 658 CG2 ILE A 48 -5.289 -8.788 -5.528 1.00 0.00 C ATOM 659 CD1 ILE A 48 -5.169 -10.000 -2.719 1.00 0.00 C ATOM 0 H ILE A 48 -6.874 -12.439 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.832 -10.003 -5.881 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.980 -10.885 -5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.049 -9.469 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.739 -11.194 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.482 -8.516 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.917 -8.785 -6.552 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.101 -8.067 -5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.578 -10.047 -1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.407 -10.771 -2.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.722 -9.020 -2.884 1.00 0.00 H new ATOM 671 N GLN A 49 -7.093 -9.230 -8.134 1.00 0.00 N ATOM 672 CA GLN A 49 -6.778 -8.839 -9.503 1.00 0.00 C ATOM 673 C GLN A 49 -5.497 -8.013 -9.551 1.00 0.00 C ATOM 674 O GLN A 49 -4.608 -8.275 -10.361 1.00 0.00 O ATOM 675 CB GLN A 49 -7.935 -8.043 -10.108 1.00 0.00 C ATOM 676 CG GLN A 49 -9.145 -8.896 -10.453 1.00 0.00 C ATOM 677 CD GLN A 49 -10.077 -8.216 -11.436 1.00 0.00 C ATOM 678 OE1 GLN A 49 -9.804 -7.111 -11.907 1.00 0.00 O ATOM 679 NE2 GLN A 49 -11.187 -8.873 -11.752 1.00 0.00 N ATOM 0 H GLN A 49 -7.774 -8.629 -7.669 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.626 -9.746 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.237 -7.266 -9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.587 -7.540 -11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.809 -9.844 -10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.693 -9.129 -9.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.374 -9.786 -11.338 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.852 -8.464 -12.408 1.00 0.00 H new ATOM 688 N SER A 50 -5.409 -7.015 -8.678 1.00 0.00 N ATOM 689 CA SER A 50 -4.238 -6.147 -8.624 1.00 0.00 C ATOM 690 C SER A 50 -4.201 -5.365 -7.315 1.00 0.00 C ATOM 691 O SER A 50 -5.201 -5.277 -6.603 1.00 0.00 O ATOM 692 CB SER A 50 -4.239 -5.180 -9.809 1.00 0.00 C ATOM 693 OG SER A 50 -5.403 -4.371 -9.807 1.00 0.00 O ATOM 0 H SER A 50 -6.134 -6.787 -7.998 1.00 0.00 H new ATOM 0 HA SER A 50 -3.348 -6.775 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.353 -4.547 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.185 -5.742 -10.741 1.00 0.00 H new ATOM 0 HG SER A 50 -5.378 -3.761 -10.573 1.00 0.00 H new ATOM 699 N PHE A 51 -3.040 -4.798 -7.004 1.00 0.00 N ATOM 700 CA PHE A 51 -2.870 -4.025 -5.779 1.00 0.00 C ATOM 701 C PHE A 51 -2.725 -2.538 -6.091 1.00 0.00 C ATOM 702 O PHE A 51 -2.659 -2.141 -7.255 1.00 0.00 O ATOM 703 CB PHE A 51 -1.646 -4.516 -5.005 1.00 0.00 C ATOM 704 CG PHE A 51 -1.832 -5.873 -4.389 1.00 0.00 C ATOM 705 CD1 PHE A 51 -2.778 -6.074 -3.397 1.00 0.00 C ATOM 706 CD2 PHE A 51 -1.061 -6.948 -4.801 1.00 0.00 C ATOM 707 CE1 PHE A 51 -2.952 -7.322 -2.827 1.00 0.00 C ATOM 708 CE2 PHE A 51 -1.230 -8.198 -4.236 1.00 0.00 C ATOM 709 CZ PHE A 51 -2.176 -8.385 -3.247 1.00 0.00 C ATOM 0 H PHE A 51 -2.203 -4.859 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.759 -4.166 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.788 -4.545 -5.677 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.411 -3.798 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.387 -5.246 -3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.319 -6.807 -5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.693 -7.465 -2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.623 -9.028 -4.567 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.309 -9.360 -2.803 1.00 0.00 H new ATOM 719 N ARG A 52 -2.677 -1.722 -5.044 1.00 0.00 N ATOM 720 CA ARG A 52 -2.542 -0.279 -5.205 1.00 0.00 C ATOM 721 C ARG A 52 -1.791 0.332 -4.027 1.00 0.00 C ATOM 722 O ARG A 52 -2.186 0.167 -2.872 1.00 0.00 O ATOM 723 CB ARG A 52 -3.920 0.373 -5.340 1.00 0.00 C ATOM 724 CG ARG A 52 -4.461 0.367 -6.760 1.00 0.00 C ATOM 725 CD ARG A 52 -5.732 1.195 -6.876 1.00 0.00 C ATOM 726 NE ARG A 52 -6.280 1.170 -8.229 1.00 0.00 N ATOM 727 CZ ARG A 52 -5.714 1.784 -9.262 1.00 0.00 C ATOM 728 NH1 ARG A 52 -4.590 2.467 -9.097 1.00 0.00 N ATOM 729 NH2 ARG A 52 -6.273 1.715 -10.464 1.00 0.00 N ATOM 0 H ARG A 52 -2.730 -2.035 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.970 -0.093 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.624 -0.147 -4.690 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.861 1.403 -4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.706 0.761 -7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.664 -0.658 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.477 0.816 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.521 2.225 -6.589 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.144 0.653 -8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.157 2.522 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.158 2.937 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.138 1.190 -10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.838 2.187 -11.257 1.00 0.00 H new ATOM 743 N VAL A 53 -0.706 1.039 -4.324 1.00 0.00 N ATOM 744 CA VAL A 53 0.100 1.676 -3.289 1.00 0.00 C ATOM 745 C VAL A 53 -0.080 3.190 -3.306 1.00 0.00 C ATOM 746 O VAL A 53 -0.087 3.812 -4.368 1.00 0.00 O ATOM 747 CB VAL A 53 1.595 1.346 -3.461 1.00 0.00 C ATOM 748 CG1 VAL A 53 2.399 1.893 -2.291 1.00 0.00 C ATOM 749 CG2 VAL A 53 1.796 -0.155 -3.602 1.00 0.00 C ATOM 0 H VAL A 53 -0.364 1.185 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.244 1.283 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 53 1.953 1.824 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.453 1.651 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.279 2.975 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.042 1.445 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.858 -0.370 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.423 -0.657 -2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.251 -0.515 -4.475 1.00 0.00 H new ATOM 759 N GLU A 54 -0.224 3.776 -2.121 1.00 0.00 N ATOM 760 CA GLU A 54 -0.405 5.218 -2.000 1.00 0.00 C ATOM 761 C GLU A 54 0.434 5.777 -0.855 1.00 0.00 C ATOM 762 O GLU A 54 0.734 5.074 0.110 1.00 0.00 O ATOM 763 CB GLU A 54 -1.881 5.552 -1.776 1.00 0.00 C ATOM 764 CG GLU A 54 -2.802 4.990 -2.846 1.00 0.00 C ATOM 765 CD GLU A 54 -4.081 5.792 -2.995 1.00 0.00 C ATOM 766 OE1 GLU A 54 -4.002 7.038 -3.008 1.00 0.00 O ATOM 767 OE2 GLU A 54 -5.160 5.172 -3.099 1.00 0.00 O ATOM 0 H GLU A 54 -0.219 3.275 -1.233 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.073 5.680 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.189 5.166 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.998 6.635 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.276 4.972 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.051 3.958 -2.600 1.00 0.00 H new ATOM 774 N TYR A 55 0.810 7.045 -0.970 1.00 0.00 N ATOM 775 CA TYR A 55 1.618 7.699 0.053 1.00 0.00 C ATOM 776 C TYR A 55 0.975 9.009 0.500 1.00 0.00 C ATOM 777 O TYR A 55 0.376 9.726 -0.302 1.00 0.00 O ATOM 778 CB TYR A 55 3.030 7.964 -0.473 1.00 0.00 C ATOM 779 CG TYR A 55 3.059 8.812 -1.724 1.00 0.00 C ATOM 780 CD1 TYR A 55 3.017 10.199 -1.649 1.00 0.00 C ATOM 781 CD2 TYR A 55 3.130 8.228 -2.983 1.00 0.00 C ATOM 782 CE1 TYR A 55 3.043 10.979 -2.789 1.00 0.00 C ATOM 783 CE2 TYR A 55 3.157 8.998 -4.129 1.00 0.00 C ATOM 784 CZ TYR A 55 3.114 10.374 -4.026 1.00 0.00 C ATOM 785 OH TYR A 55 3.141 11.146 -5.166 1.00 0.00 O ATOM 0 H TYR A 55 0.568 7.641 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 55 1.678 7.032 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.612 8.458 0.305 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.517 7.011 -0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.963 10.676 -0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.165 7.152 -3.067 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.008 12.056 -2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.211 8.527 -5.099 1.00 0.00 H new ATOM 0 HH TYR A 55 3.193 10.565 -5.953 1.00 0.00 H new ATOM 795 N LYS A 56 1.105 9.315 1.787 1.00 0.00 N ATOM 796 CA LYS A 56 0.540 10.538 2.343 1.00 0.00 C ATOM 797 C LYS A 56 1.642 11.479 2.820 1.00 0.00 C ATOM 798 O LYS A 56 2.534 11.078 3.569 1.00 0.00 O ATOM 799 CB LYS A 56 -0.401 10.208 3.503 1.00 0.00 C ATOM 800 CG LYS A 56 -1.072 11.429 4.108 1.00 0.00 C ATOM 801 CD LYS A 56 -2.334 11.052 4.867 1.00 0.00 C ATOM 802 CE LYS A 56 -2.030 10.702 6.315 1.00 0.00 C ATOM 803 NZ LYS A 56 -3.212 10.916 7.197 1.00 0.00 N ATOM 0 H LYS A 56 1.597 8.732 2.464 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.025 11.038 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.169 9.518 3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.161 9.690 4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.377 11.931 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.319 12.138 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.042 11.880 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.813 10.203 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.713 9.661 6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.198 11.311 6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.965 10.666 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.499 11.915 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.998 10.316 6.875 1.00 0.00 H new ATOM 817 N LYS A 57 1.575 12.731 2.382 1.00 0.00 N ATOM 818 CA LYS A 57 2.565 13.731 2.766 1.00 0.00 C ATOM 819 C LYS A 57 2.319 14.222 4.188 1.00 0.00 C ATOM 820 O LYS A 57 1.181 14.493 4.574 1.00 0.00 O ATOM 821 CB LYS A 57 2.531 14.912 1.795 1.00 0.00 C ATOM 822 CG LYS A 57 3.418 14.722 0.575 1.00 0.00 C ATOM 823 CD LYS A 57 3.404 15.950 -0.321 1.00 0.00 C ATOM 824 CE LYS A 57 2.312 15.860 -1.374 1.00 0.00 C ATOM 825 NZ LYS A 57 2.786 15.172 -2.607 1.00 0.00 N ATOM 0 H LYS A 57 0.845 13.078 1.760 1.00 0.00 H new ATOM 0 HA LYS A 57 3.549 13.264 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.504 15.072 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.841 15.814 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.439 14.516 0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.080 13.854 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.253 16.843 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.373 16.057 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.456 15.323 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.968 16.863 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.012 15.131 -3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.587 15.698 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.091 14.206 -2.370 1.00 0.00 H new ATOM 839 N LEU A 58 3.391 14.337 4.965 1.00 0.00 N ATOM 840 CA LEU A 58 3.292 14.797 6.345 1.00 0.00 C ATOM 841 C LEU A 58 3.799 16.229 6.479 1.00 0.00 C ATOM 842 O LEU A 58 3.019 17.159 6.685 1.00 0.00 O ATOM 843 CB LEU A 58 4.085 13.874 7.270 1.00 0.00 C ATOM 844 CG LEU A 58 3.755 12.384 7.177 1.00 0.00 C ATOM 845 CD1 LEU A 58 4.712 11.569 8.033 1.00 0.00 C ATOM 846 CD2 LEU A 58 2.314 12.131 7.596 1.00 0.00 C ATOM 0 H LEU A 58 4.340 14.117 4.662 1.00 0.00 H new ATOM 0 HA LEU A 58 2.241 14.775 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.146 14.004 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.924 14.198 8.298 1.00 0.00 H new ATOM 0 HG LEU A 58 3.872 12.070 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.461 10.511 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.734 11.726 7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.629 11.884 9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.096 11.065 7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.171 12.462 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.642 12.684 6.940 1.00 0.00 H new ATOM 937 N TRP A 64 -3.639 11.424 0.653 1.00 0.00 N ATOM 938 CA TRP A 64 -2.931 10.291 0.066 1.00 0.00 C ATOM 939 C TRP A 64 -2.681 10.518 -1.421 1.00 0.00 C ATOM 940 O TRP A 64 -3.423 11.247 -2.081 1.00 0.00 O ATOM 941 CB TRP A 64 -3.728 9.003 0.271 1.00 0.00 C ATOM 942 CG TRP A 64 -3.725 8.522 1.690 1.00 0.00 C ATOM 943 CD1 TRP A 64 -4.732 8.653 2.603 1.00 0.00 C ATOM 944 CD2 TRP A 64 -2.661 7.833 2.359 1.00 0.00 C ATOM 945 NE1 TRP A 64 -4.359 8.087 3.799 1.00 0.00 N ATOM 946 CE2 TRP A 64 -3.093 7.577 3.675 1.00 0.00 C ATOM 947 CE3 TRP A 64 -1.388 7.407 1.973 1.00 0.00 C ATOM 948 CZ2 TRP A 64 -2.296 6.916 4.605 1.00 0.00 C ATOM 949 CZ3 TRP A 64 -0.597 6.751 2.897 1.00 0.00 C ATOM 950 CH2 TRP A 64 -1.053 6.510 4.200 1.00 0.00 C ATOM 0 HA TRP A 64 -1.968 10.197 0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.758 9.167 -0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.316 8.224 -0.370 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.682 9.131 2.413 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.932 8.052 4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -1.028 7.587 0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.646 6.730 5.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.390 6.418 2.610 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.411 5.994 4.898 1.00 0.00 H new ATOM 961 N ILE A 65 -1.634 9.890 -1.943 1.00 0.00 N ATOM 962 CA ILE A 65 -1.289 10.022 -3.353 1.00 0.00 C ATOM 963 C ILE A 65 -0.959 8.667 -3.969 1.00 0.00 C ATOM 964 O ILE A 65 -0.336 7.817 -3.331 1.00 0.00 O ATOM 965 CB ILE A 65 -0.089 10.968 -3.552 1.00 0.00 C ATOM 966 CG1 ILE A 65 -0.179 12.151 -2.586 1.00 0.00 C ATOM 967 CG2 ILE A 65 -0.034 11.458 -4.992 1.00 0.00 C ATOM 968 CD1 ILE A 65 -1.258 13.146 -2.947 1.00 0.00 C ATOM 0 H ILE A 65 -1.009 9.284 -1.411 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.162 10.442 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 65 0.828 10.418 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.365 11.775 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.783 12.663 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.819 12.125 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.071 10.605 -5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.952 11.995 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.263 13.957 -2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.062 13.551 -3.940 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.228 12.648 -2.943 1.00 0.00 H new ATOM 980 N LEU A 66 -1.381 8.470 -5.213 1.00 0.00 N ATOM 981 CA LEU A 66 -1.129 7.218 -5.918 1.00 0.00 C ATOM 982 C LEU A 66 0.302 7.165 -6.441 1.00 0.00 C ATOM 983 O LEU A 66 0.747 8.067 -7.151 1.00 0.00 O ATOM 984 CB LEU A 66 -2.115 7.055 -7.077 1.00 0.00 C ATOM 985 CG LEU A 66 -2.016 5.747 -7.862 1.00 0.00 C ATOM 986 CD1 LEU A 66 -1.893 4.563 -6.916 1.00 0.00 C ATOM 987 CD2 LEU A 66 -3.223 5.581 -8.775 1.00 0.00 C ATOM 0 H LEU A 66 -1.900 9.162 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.268 6.399 -5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.127 7.143 -6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.970 7.884 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.119 5.784 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.824 3.641 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.997 4.677 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.770 4.521 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.136 4.645 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.133 5.566 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.265 6.413 -9.478 1.00 0.00 H new ATOM 999 N ALA A 67 1.017 6.102 -6.089 1.00 0.00 N ATOM 1000 CA ALA A 67 2.396 5.929 -6.526 1.00 0.00 C ATOM 1001 C ALA A 67 2.486 4.939 -7.683 1.00 0.00 C ATOM 1002 O ALA A 67 2.969 5.275 -8.764 1.00 0.00 O ATOM 1003 CB ALA A 67 3.265 5.468 -5.365 1.00 0.00 C ATOM 0 H ALA A 67 0.663 5.347 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 67 2.762 6.893 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.292 5.343 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.235 6.213 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.891 4.517 -4.986 1.00 0.00 H new ATOM 1009 N THR A 68 2.018 3.718 -7.447 1.00 0.00 N ATOM 1010 CA THR A 68 2.047 2.678 -8.468 1.00 0.00 C ATOM 1011 C THR A 68 0.733 1.905 -8.504 1.00 0.00 C ATOM 1012 O THR A 68 -0.076 1.994 -7.579 1.00 0.00 O ATOM 1013 CB THR A 68 3.204 1.690 -8.231 1.00 0.00 C ATOM 1014 OG1 THR A 68 3.418 0.896 -9.402 1.00 0.00 O ATOM 1015 CG2 THR A 68 2.907 0.784 -7.046 1.00 0.00 C ATOM 0 H THR A 68 1.614 3.425 -6.557 1.00 0.00 H new ATOM 0 HA THR A 68 2.197 3.179 -9.424 1.00 0.00 H new ATOM 0 HB THR A 68 4.104 2.265 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.157 0.272 -9.243 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.738 0.095 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.773 1.390 -6.150 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.996 0.218 -7.240 1.00 0.00 H new ATOM 1023 N SER A 69 0.527 1.148 -9.576 1.00 0.00 N ATOM 1024 CA SER A 69 -0.692 0.362 -9.732 1.00 0.00 C ATOM 1025 C SER A 69 -0.491 -0.752 -10.756 1.00 0.00 C ATOM 1026 O SER A 69 0.563 -0.851 -11.384 1.00 0.00 O ATOM 1027 CB SER A 69 -1.853 1.261 -10.162 1.00 0.00 C ATOM 1028 OG SER A 69 -1.621 1.816 -11.444 1.00 0.00 O ATOM 0 H SER A 69 1.187 1.062 -10.349 1.00 0.00 H new ATOM 0 HA SER A 69 -0.930 -0.090 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.778 0.685 -10.174 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.986 2.062 -9.434 1.00 0.00 H new ATOM 0 HG SER A 69 -2.378 2.385 -11.696 1.00 0.00 H new ATOM 1034 N ALA A 70 -1.511 -1.589 -10.917 1.00 0.00 N ATOM 1035 CA ALA A 70 -1.449 -2.695 -11.864 1.00 0.00 C ATOM 1036 C ALA A 70 -0.458 -3.758 -11.404 1.00 0.00 C ATOM 1037 O ALA A 70 0.110 -4.486 -12.219 1.00 0.00 O ATOM 1038 CB ALA A 70 -1.074 -2.184 -13.248 1.00 0.00 C ATOM 0 H ALA A 70 -2.390 -1.522 -10.404 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.436 -3.154 -11.913 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.031 -3.021 -13.945 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.822 -1.467 -13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.099 -1.698 -13.205 1.00 0.00 H new ATOM 1044 N ILE A 71 -0.253 -3.841 -10.094 1.00 0.00 N ATOM 1045 CA ILE A 71 0.670 -4.816 -9.526 1.00 0.00 C ATOM 1046 C ILE A 71 0.028 -6.196 -9.439 1.00 0.00 C ATOM 1047 O ILE A 71 -1.133 -6.345 -9.059 1.00 0.00 O ATOM 1048 CB ILE A 71 1.141 -4.392 -8.121 1.00 0.00 C ATOM 1049 CG1 ILE A 71 1.750 -2.990 -8.165 1.00 0.00 C ATOM 1050 CG2 ILE A 71 2.146 -5.396 -7.576 1.00 0.00 C ATOM 1051 CD1 ILE A 71 2.186 -2.478 -6.809 1.00 0.00 C ATOM 0 H ILE A 71 -0.713 -3.245 -9.406 1.00 0.00 H new ATOM 0 HA ILE A 71 1.532 -4.861 -10.192 1.00 0.00 H new ATOM 0 HB ILE A 71 0.279 -4.371 -7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.609 -2.997 -8.835 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.021 -2.299 -8.588 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.470 -5.084 -6.583 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.680 -6.380 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.009 -5.445 -8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.608 -1.479 -6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.326 -2.439 -6.141 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.939 -3.147 -6.392 1.00 0.00 H new ATOM 1063 N PRO A 72 0.800 -7.232 -9.801 1.00 0.00 N ATOM 1064 CA PRO A 72 0.329 -8.620 -9.771 1.00 0.00 C ATOM 1065 C PRO A 72 0.133 -9.134 -8.349 1.00 0.00 C ATOM 1066 O PRO A 72 0.694 -8.606 -7.389 1.00 0.00 O ATOM 1067 CB PRO A 72 1.451 -9.390 -10.469 1.00 0.00 C ATOM 1068 CG PRO A 72 2.667 -8.554 -10.267 1.00 0.00 C ATOM 1069 CD PRO A 72 2.194 -7.128 -10.265 1.00 0.00 C ATOM 0 HA PRO A 72 -0.644 -8.732 -10.250 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.577 -10.383 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.237 -9.528 -11.529 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.160 -8.803 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.393 -8.723 -11.062 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.794 -6.507 -9.600 1.00 0.00 H new ATOM 0 HD3 PRO A 72 2.255 -6.683 -11.258 1.00 0.00 H new ATOM 1077 N PRO A 73 -0.682 -10.191 -8.208 1.00 0.00 N ATOM 1078 CA PRO A 73 -0.969 -10.801 -6.907 1.00 0.00 C ATOM 1079 C PRO A 73 0.238 -11.531 -6.330 1.00 0.00 C ATOM 1080 O PRO A 73 0.356 -11.694 -5.115 1.00 0.00 O ATOM 1081 CB PRO A 73 -2.094 -11.791 -7.221 1.00 0.00 C ATOM 1082 CG PRO A 73 -1.918 -12.120 -8.663 1.00 0.00 C ATOM 1083 CD PRO A 73 -1.384 -10.871 -9.310 1.00 0.00 C ATOM 0 HA PRO A 73 -1.235 -10.056 -6.157 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.021 -12.684 -6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.073 -11.351 -7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.226 -12.953 -8.792 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.864 -12.419 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.710 -11.102 -10.134 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.186 -10.255 -9.717 1.00 0.00 H new ATOM 1091 N SER A 74 1.135 -11.970 -7.208 1.00 0.00 N ATOM 1092 CA SER A 74 2.332 -12.686 -6.785 1.00 0.00 C ATOM 1093 C SER A 74 3.377 -11.720 -6.236 1.00 0.00 C ATOM 1094 O SER A 74 4.221 -12.098 -5.422 1.00 0.00 O ATOM 1095 CB SER A 74 2.919 -13.478 -7.956 1.00 0.00 C ATOM 1096 OG SER A 74 3.281 -12.618 -9.023 1.00 0.00 O ATOM 0 H SER A 74 1.055 -11.842 -8.217 1.00 0.00 H new ATOM 0 HA SER A 74 2.050 -13.379 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.794 -14.034 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.191 -14.210 -8.306 1.00 0.00 H new ATOM 0 HG SER A 74 3.655 -13.148 -9.758 1.00 0.00 H new ATOM 1102 N ARG A 75 3.314 -10.472 -6.686 1.00 0.00 N ATOM 1103 CA ARG A 75 4.256 -9.451 -6.241 1.00 0.00 C ATOM 1104 C ARG A 75 3.772 -8.790 -4.954 1.00 0.00 C ATOM 1105 O ARG A 75 2.829 -7.997 -4.967 1.00 0.00 O ATOM 1106 CB ARG A 75 4.446 -8.393 -7.329 1.00 0.00 C ATOM 1107 CG ARG A 75 5.436 -7.302 -6.953 1.00 0.00 C ATOM 1108 CD ARG A 75 6.141 -6.743 -8.178 1.00 0.00 C ATOM 1109 NE ARG A 75 7.468 -6.225 -7.856 1.00 0.00 N ATOM 1110 CZ ARG A 75 8.120 -5.352 -8.616 1.00 0.00 C ATOM 1111 NH1 ARG A 75 7.569 -4.899 -9.734 1.00 0.00 N ATOM 1112 NH2 ARG A 75 9.325 -4.927 -8.255 1.00 0.00 N ATOM 0 H ARG A 75 2.621 -10.143 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 75 5.212 -9.936 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.786 -8.881 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.482 -7.936 -7.551 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.914 -6.498 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.174 -7.703 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.230 -7.524 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.537 -5.947 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 75 7.919 -6.551 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.642 -5.221 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.072 -4.229 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.750 -5.271 -7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.825 -4.257 -8.839 1.00 0.00 H new ATOM 1126 N LEU A 76 4.422 -9.121 -3.844 1.00 0.00 N ATOM 1127 CA LEU A 76 4.059 -8.559 -2.547 1.00 0.00 C ATOM 1128 C LEU A 76 5.024 -7.450 -2.144 1.00 0.00 C ATOM 1129 O LEU A 76 4.999 -6.974 -1.009 1.00 0.00 O ATOM 1130 CB LEU A 76 4.048 -9.655 -1.480 1.00 0.00 C ATOM 1131 CG LEU A 76 3.196 -10.887 -1.791 1.00 0.00 C ATOM 1132 CD1 LEU A 76 3.190 -11.843 -0.608 1.00 0.00 C ATOM 1133 CD2 LEU A 76 1.777 -10.474 -2.153 1.00 0.00 C ATOM 0 H LEU A 76 5.203 -9.776 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 76 3.060 -8.132 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.074 -9.981 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.695 -9.220 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 76 3.633 -11.403 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.579 -12.714 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.210 -12.163 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.777 -11.338 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.184 -11.362 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.330 -9.936 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.799 -9.828 -3.030 1.00 0.00 H new ATOM 1145 N SER A 77 5.874 -7.042 -3.081 1.00 0.00 N ATOM 1146 CA SER A 77 6.849 -5.989 -2.824 1.00 0.00 C ATOM 1147 C SER A 77 7.267 -5.306 -4.122 1.00 0.00 C ATOM 1148 O SER A 77 7.500 -5.963 -5.136 1.00 0.00 O ATOM 1149 CB SER A 77 8.078 -6.566 -2.118 1.00 0.00 C ATOM 1150 OG SER A 77 9.122 -5.609 -2.048 1.00 0.00 O ATOM 0 H SER A 77 5.907 -7.425 -4.026 1.00 0.00 H new ATOM 0 HA SER A 77 6.383 -5.245 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.806 -6.887 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.426 -7.450 -2.652 1.00 0.00 H new ATOM 0 HG SER A 77 9.344 -5.435 -1.109 1.00 0.00 H new ATOM 1156 N VAL A 78 7.360 -3.980 -4.083 1.00 0.00 N ATOM 1157 CA VAL A 78 7.751 -3.206 -5.254 1.00 0.00 C ATOM 1158 C VAL A 78 8.480 -1.929 -4.851 1.00 0.00 C ATOM 1159 O VAL A 78 8.495 -1.556 -3.679 1.00 0.00 O ATOM 1160 CB VAL A 78 6.530 -2.836 -6.116 1.00 0.00 C ATOM 1161 CG1 VAL A 78 5.567 -4.011 -6.212 1.00 0.00 C ATOM 1162 CG2 VAL A 78 5.830 -1.610 -5.548 1.00 0.00 C ATOM 0 H VAL A 78 7.170 -3.420 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 78 8.422 -3.835 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 78 6.876 -2.597 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.711 -3.730 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.075 -4.862 -6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.225 -4.283 -5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.969 -1.362 -6.169 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.496 -1.820 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.523 -0.769 -5.535 1.00 0.00 H new ATOM 1172 N GLU A 79 9.085 -1.265 -5.831 1.00 0.00 N ATOM 1173 CA GLU A 79 9.817 -0.029 -5.578 1.00 0.00 C ATOM 1174 C GLU A 79 9.006 1.184 -6.021 1.00 0.00 C ATOM 1175 O GLU A 79 8.726 1.357 -7.208 1.00 0.00 O ATOM 1176 CB GLU A 79 11.163 -0.050 -6.304 1.00 0.00 C ATOM 1177 CG GLU A 79 12.084 1.093 -5.912 1.00 0.00 C ATOM 1178 CD GLU A 79 13.300 1.197 -6.811 1.00 0.00 C ATOM 1179 OE1 GLU A 79 13.125 1.435 -8.024 1.00 0.00 O ATOM 1180 OE2 GLU A 79 14.430 1.041 -6.300 1.00 0.00 O ATOM 0 H GLU A 79 9.083 -1.562 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 79 9.993 0.046 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.663 -0.996 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.987 -0.011 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.529 2.030 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.410 0.955 -4.881 1.00 0.00 H new ATOM 1187 N ILE A 80 8.630 2.022 -5.059 1.00 0.00 N ATOM 1188 CA ILE A 80 7.852 3.219 -5.350 1.00 0.00 C ATOM 1189 C ILE A 80 8.749 4.354 -5.828 1.00 0.00 C ATOM 1190 O ILE A 80 9.427 5.005 -5.031 1.00 0.00 O ATOM 1191 CB ILE A 80 7.062 3.689 -4.114 1.00 0.00 C ATOM 1192 CG1 ILE A 80 6.165 2.563 -3.595 1.00 0.00 C ATOM 1193 CG2 ILE A 80 6.234 4.920 -4.454 1.00 0.00 C ATOM 1194 CD1 ILE A 80 5.065 2.174 -4.559 1.00 0.00 C ATOM 0 H ILE A 80 8.852 1.893 -4.072 1.00 0.00 H new ATOM 0 HA ILE A 80 7.151 2.956 -6.142 1.00 0.00 H new ATOM 0 HB ILE A 80 7.769 3.955 -3.328 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.779 1.688 -3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.717 2.872 -2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.681 5.241 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.894 5.723 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.533 4.678 -5.253 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.469 1.371 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.427 3.037 -4.750 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.506 1.834 -5.496 1.00 0.00 H new ATOM 1206 N THR A 81 8.749 4.591 -7.137 1.00 0.00 N ATOM 1207 CA THR A 81 9.562 5.649 -7.724 1.00 0.00 C ATOM 1208 C THR A 81 8.740 6.913 -7.948 1.00 0.00 C ATOM 1209 O THR A 81 7.511 6.877 -7.930 1.00 0.00 O ATOM 1210 CB THR A 81 10.180 5.206 -9.063 1.00 0.00 C ATOM 1211 OG1 THR A 81 9.150 5.017 -10.039 1.00 0.00 O ATOM 1212 CG2 THR A 81 10.969 3.916 -8.895 1.00 0.00 C ATOM 0 H THR A 81 8.194 4.063 -7.811 1.00 0.00 H new ATOM 0 HA THR A 81 10.364 5.861 -7.017 1.00 0.00 H new ATOM 0 HB THR A 81 10.860 5.988 -9.400 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.551 4.737 -10.888 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.396 3.623 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.771 4.071 -8.173 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.306 3.128 -8.537 1.00 0.00 H new ATOM 1220 N GLY A 82 9.428 8.030 -8.164 1.00 0.00 N ATOM 1221 CA GLY A 82 8.744 9.290 -8.390 1.00 0.00 C ATOM 1222 C GLY A 82 8.366 9.985 -7.097 1.00 0.00 C ATOM 1223 O GLY A 82 7.334 10.654 -7.022 1.00 0.00 O ATOM 0 H GLY A 82 10.446 8.085 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.385 9.947 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.844 9.111 -8.979 1.00 0.00 H new ATOM 1227 N LEU A 83 9.200 9.827 -6.076 1.00 0.00 N ATOM 1228 CA LEU A 83 8.947 10.444 -4.779 1.00 0.00 C ATOM 1229 C LEU A 83 9.520 11.857 -4.727 1.00 0.00 C ATOM 1230 O LEU A 83 10.046 12.360 -5.718 1.00 0.00 O ATOM 1231 CB LEU A 83 9.554 9.594 -3.661 1.00 0.00 C ATOM 1232 CG LEU A 83 8.931 8.213 -3.453 1.00 0.00 C ATOM 1233 CD1 LEU A 83 9.526 7.537 -2.229 1.00 0.00 C ATOM 1234 CD2 LEU A 83 7.418 8.325 -3.322 1.00 0.00 C ATOM 0 H LEU A 83 10.058 9.277 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 83 7.868 10.504 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.616 9.464 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.476 10.150 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 83 9.156 7.599 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.070 6.556 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.602 7.422 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.334 8.147 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.991 7.333 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.172 8.956 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.006 8.766 -4.230 1.00 0.00 H new ATOM 1246 N GLU A 84 9.415 12.489 -3.561 1.00 0.00 N ATOM 1247 CA GLU A 84 9.923 13.844 -3.381 1.00 0.00 C ATOM 1248 C GLU A 84 10.866 13.916 -2.183 1.00 0.00 C ATOM 1249 O GLU A 84 10.489 13.580 -1.060 1.00 0.00 O ATOM 1250 CB GLU A 84 8.765 14.826 -3.192 1.00 0.00 C ATOM 1251 CG GLU A 84 7.966 15.076 -4.460 1.00 0.00 C ATOM 1252 CD GLU A 84 7.052 16.280 -4.345 1.00 0.00 C ATOM 1253 OE1 GLU A 84 6.036 16.185 -3.625 1.00 0.00 O ATOM 1254 OE2 GLU A 84 7.351 17.315 -4.976 1.00 0.00 O ATOM 0 H GLU A 84 8.984 12.085 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 84 10.479 14.118 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.097 14.442 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.160 15.775 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.652 15.224 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.370 14.193 -4.690 1.00 0.00 H new ATOM 1261 N LYS A 85 12.095 14.355 -2.431 1.00 0.00 N ATOM 1262 CA LYS A 85 13.093 14.472 -1.374 1.00 0.00 C ATOM 1263 C LYS A 85 12.708 15.564 -0.380 1.00 0.00 C ATOM 1264 O LYS A 85 11.965 16.486 -0.713 1.00 0.00 O ATOM 1265 CB LYS A 85 14.468 14.776 -1.974 1.00 0.00 C ATOM 1266 CG LYS A 85 15.284 13.533 -2.285 1.00 0.00 C ATOM 1267 CD LYS A 85 16.197 13.750 -3.480 1.00 0.00 C ATOM 1268 CE LYS A 85 15.470 13.486 -4.790 1.00 0.00 C ATOM 1269 NZ LYS A 85 14.588 14.623 -5.174 1.00 0.00 N ATOM 0 H LYS A 85 12.424 14.636 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 85 13.137 13.521 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.336 15.352 -2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.027 15.403 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.881 13.261 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.614 12.697 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.574 14.773 -3.471 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.062 13.091 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.199 13.309 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.873 12.579 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.477 14.642 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.656 14.505 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.014 15.516 -4.855 1.00 0.00 H new ATOM 1283 N GLY A 86 13.220 15.452 0.842 1.00 0.00 N ATOM 1284 CA GLY A 86 12.920 16.437 1.865 1.00 0.00 C ATOM 1285 C GLY A 86 11.441 16.506 2.187 1.00 0.00 C ATOM 1286 O GLY A 86 10.978 17.462 2.810 1.00 0.00 O ATOM 0 H GLY A 86 13.837 14.697 1.142 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.475 16.196 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.263 17.417 1.533 1.00 0.00 H new ATOM 1290 N ILE A 87 10.696 15.490 1.761 1.00 0.00 N ATOM 1291 CA ILE A 87 9.261 15.440 2.008 1.00 0.00 C ATOM 1292 C ILE A 87 8.863 14.125 2.671 1.00 0.00 C ATOM 1293 O ILE A 87 8.790 13.085 2.017 1.00 0.00 O ATOM 1294 CB ILE A 87 8.459 15.607 0.703 1.00 0.00 C ATOM 1295 CG1 ILE A 87 8.602 17.035 0.171 1.00 0.00 C ATOM 1296 CG2 ILE A 87 6.994 15.266 0.935 1.00 0.00 C ATOM 1297 CD1 ILE A 87 8.084 18.089 1.123 1.00 0.00 C ATOM 0 H ILE A 87 11.063 14.691 1.244 1.00 0.00 H new ATOM 0 HA ILE A 87 9.027 16.268 2.678 1.00 0.00 H new ATOM 0 HB ILE A 87 8.858 14.920 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.653 17.232 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.067 17.117 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.440 15.389 0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.910 14.233 1.274 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.581 15.931 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.218 19.076 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.025 17.917 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.636 18.034 2.061 1.00 0.00 H new ATOM 1309 N SER A 88 8.604 14.181 3.973 1.00 0.00 N ATOM 1310 CA SER A 88 8.215 12.994 4.726 1.00 0.00 C ATOM 1311 C SER A 88 6.818 12.530 4.325 1.00 0.00 C ATOM 1312 O SER A 88 5.909 13.342 4.152 1.00 0.00 O ATOM 1313 CB SER A 88 8.258 13.281 6.229 1.00 0.00 C ATOM 1314 OG SER A 88 9.227 14.269 6.531 1.00 0.00 O ATOM 0 H SER A 88 8.656 15.035 4.529 1.00 0.00 H new ATOM 0 HA SER A 88 8.923 12.199 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.277 13.614 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.488 12.364 6.771 1.00 0.00 H new ATOM 0 HG SER A 88 9.234 14.436 7.497 1.00 0.00 H new ATOM 1320 N TYR A 89 6.656 11.220 4.180 1.00 0.00 N ATOM 1321 CA TYR A 89 5.371 10.647 3.798 1.00 0.00 C ATOM 1322 C TYR A 89 5.290 9.176 4.197 1.00 0.00 C ATOM 1323 O TYR A 89 6.294 8.562 4.557 1.00 0.00 O ATOM 1324 CB TYR A 89 5.153 10.791 2.290 1.00 0.00 C ATOM 1325 CG TYR A 89 6.437 10.829 1.494 1.00 0.00 C ATOM 1326 CD1 TYR A 89 7.446 9.901 1.721 1.00 0.00 C ATOM 1327 CD2 TYR A 89 6.643 11.794 0.516 1.00 0.00 C ATOM 1328 CE1 TYR A 89 8.623 9.932 0.996 1.00 0.00 C ATOM 1329 CE2 TYR A 89 7.815 11.833 -0.215 1.00 0.00 C ATOM 1330 CZ TYR A 89 8.802 10.900 0.029 1.00 0.00 C ATOM 1331 OH TYR A 89 9.971 10.935 -0.695 1.00 0.00 O ATOM 0 H TYR A 89 7.398 10.535 4.321 1.00 0.00 H new ATOM 0 HA TYR A 89 4.588 11.191 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.542 9.960 1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 89 4.589 11.704 2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.308 9.142 2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.873 12.527 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.397 9.203 1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.958 12.589 -0.973 1.00 0.00 H new ATOM 0 HH TYR A 89 10.149 11.854 -0.984 1.00 0.00 H new ATOM 1341 N LYS A 90 4.086 8.618 4.129 1.00 0.00 N ATOM 1342 CA LYS A 90 3.870 7.219 4.481 1.00 0.00 C ATOM 1343 C LYS A 90 3.534 6.392 3.244 1.00 0.00 C ATOM 1344 O LYS A 90 3.536 6.904 2.124 1.00 0.00 O ATOM 1345 CB LYS A 90 2.744 7.098 5.510 1.00 0.00 C ATOM 1346 CG LYS A 90 2.907 8.025 6.703 1.00 0.00 C ATOM 1347 CD LYS A 90 2.033 7.592 7.868 1.00 0.00 C ATOM 1348 CE LYS A 90 2.624 8.028 9.200 1.00 0.00 C ATOM 1349 NZ LYS A 90 1.630 7.935 10.304 1.00 0.00 N ATOM 0 H LYS A 90 3.245 9.113 3.833 1.00 0.00 H new ATOM 0 HA LYS A 90 4.793 6.833 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.793 7.311 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.696 6.068 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.951 8.038 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.649 9.043 6.412 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.036 8.018 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.920 6.508 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.488 7.406 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.983 9.054 9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.071 8.241 11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.817 8.548 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.306 6.951 10.398 1.00 0.00 H new ATOM 1363 N PHE A 91 3.245 5.112 3.453 1.00 0.00 N ATOM 1364 CA PHE A 91 2.906 4.216 2.355 1.00 0.00 C ATOM 1365 C PHE A 91 1.881 3.175 2.798 1.00 0.00 C ATOM 1366 O PHE A 91 1.923 2.690 3.929 1.00 0.00 O ATOM 1367 CB PHE A 91 4.163 3.518 1.832 1.00 0.00 C ATOM 1368 CG PHE A 91 5.199 4.468 1.301 1.00 0.00 C ATOM 1369 CD1 PHE A 91 6.107 5.073 2.156 1.00 0.00 C ATOM 1370 CD2 PHE A 91 5.265 4.756 -0.052 1.00 0.00 C ATOM 1371 CE1 PHE A 91 7.060 5.948 1.671 1.00 0.00 C ATOM 1372 CE2 PHE A 91 6.216 5.631 -0.544 1.00 0.00 C ATOM 1373 CZ PHE A 91 7.115 6.226 0.318 1.00 0.00 C ATOM 0 H PHE A 91 3.239 4.672 4.373 1.00 0.00 H new ATOM 0 HA PHE A 91 2.469 4.813 1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 91 4.602 2.927 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 91 3.881 2.822 1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.069 4.858 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 91 4.565 4.292 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.761 6.414 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.255 5.849 -1.601 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.860 6.908 -0.064 1.00 0.00 H new ATOM 1383 N ARG A 92 0.962 2.839 1.900 1.00 0.00 N ATOM 1384 CA ARG A 92 -0.075 1.858 2.198 1.00 0.00 C ATOM 1385 C ARG A 92 -0.313 0.939 1.004 1.00 0.00 C ATOM 1386 O ARG A 92 0.302 1.100 -0.050 1.00 0.00 O ATOM 1387 CB ARG A 92 -1.378 2.563 2.582 1.00 0.00 C ATOM 1388 CG ARG A 92 -1.895 3.511 1.512 1.00 0.00 C ATOM 1389 CD ARG A 92 -3.416 3.544 1.485 1.00 0.00 C ATOM 1390 NE ARG A 92 -3.928 4.856 1.099 1.00 0.00 N ATOM 1391 CZ ARG A 92 -5.111 5.042 0.524 1.00 0.00 C ATOM 1392 NH1 ARG A 92 -5.900 4.007 0.272 1.00 0.00 N ATOM 1393 NH2 ARG A 92 -5.507 6.267 0.202 1.00 0.00 N ATOM 0 H ARG A 92 0.914 3.231 0.960 1.00 0.00 H new ATOM 0 HA ARG A 92 0.263 1.252 3.038 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.140 1.812 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.221 3.121 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.511 4.514 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.519 3.201 0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.783 2.792 0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.802 3.280 2.470 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.346 5.674 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.599 3.064 0.520 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.808 4.153 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.903 7.066 0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.415 6.410 -0.240 1.00 0.00 H new ATOM 1407 N VAL A 93 -1.211 -0.027 1.177 1.00 0.00 N ATOM 1408 CA VAL A 93 -1.531 -0.972 0.114 1.00 0.00 C ATOM 1409 C VAL A 93 -3.025 -1.277 0.082 1.00 0.00 C ATOM 1410 O VAL A 93 -3.673 -1.366 1.125 1.00 0.00 O ATOM 1411 CB VAL A 93 -0.752 -2.289 0.281 1.00 0.00 C ATOM 1412 CG1 VAL A 93 -1.120 -3.271 -0.822 1.00 0.00 C ATOM 1413 CG2 VAL A 93 0.746 -2.025 0.293 1.00 0.00 C ATOM 0 H VAL A 93 -1.729 -0.175 2.043 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.239 -0.503 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.027 -2.734 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.559 -4.196 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.188 -3.484 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.876 -2.837 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.281 -2.967 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.040 -1.557 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.992 -1.361 1.122 1.00 0.00 H new ATOM 1423 N ARG A 94 -3.565 -1.437 -1.122 1.00 0.00 N ATOM 1424 CA ARG A 94 -4.983 -1.733 -1.290 1.00 0.00 C ATOM 1425 C ARG A 94 -5.183 -2.912 -2.237 1.00 0.00 C ATOM 1426 O ARG A 94 -4.485 -3.039 -3.243 1.00 0.00 O ATOM 1427 CB ARG A 94 -5.722 -0.504 -1.823 1.00 0.00 C ATOM 1428 CG ARG A 94 -6.138 0.474 -0.737 1.00 0.00 C ATOM 1429 CD ARG A 94 -7.391 1.241 -1.130 1.00 0.00 C ATOM 1430 NE ARG A 94 -7.869 2.100 -0.049 1.00 0.00 N ATOM 1431 CZ ARG A 94 -8.800 3.035 -0.210 1.00 0.00 C ATOM 1432 NH1 ARG A 94 -9.350 3.229 -1.400 1.00 0.00 N ATOM 1433 NH2 ARG A 94 -9.181 3.776 0.822 1.00 0.00 N ATOM 0 H ARG A 94 -3.042 -1.367 -1.995 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.392 -1.999 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.082 0.012 -2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.609 -0.831 -2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.317 -0.067 0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.325 1.175 -0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.183 1.849 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.175 0.537 -1.407 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.466 1.975 0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.059 2.660 -2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.064 3.947 -1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.760 3.628 1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.895 4.494 0.699 1.00 0.00 H new ATOM 1447 N ALA A 95 -6.143 -3.771 -1.909 1.00 0.00 N ATOM 1448 CA ALA A 95 -6.437 -4.938 -2.732 1.00 0.00 C ATOM 1449 C ALA A 95 -7.697 -4.720 -3.563 1.00 0.00 C ATOM 1450 O ALA A 95 -8.749 -4.362 -3.032 1.00 0.00 O ATOM 1451 CB ALA A 95 -6.586 -6.175 -1.858 1.00 0.00 C ATOM 0 H ALA A 95 -6.730 -3.681 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.603 -5.089 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.805 -7.039 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.659 -6.349 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -7.401 -6.024 -1.150 1.00 0.00 H new ATOM 1457 N LEU A 96 -7.584 -4.938 -4.869 1.00 0.00 N ATOM 1458 CA LEU A 96 -8.715 -4.765 -5.774 1.00 0.00 C ATOM 1459 C LEU A 96 -9.010 -6.057 -6.530 1.00 0.00 C ATOM 1460 O LEU A 96 -8.156 -6.576 -7.247 1.00 0.00 O ATOM 1461 CB LEU A 96 -8.432 -3.634 -6.764 1.00 0.00 C ATOM 1462 CG LEU A 96 -8.672 -2.215 -6.250 1.00 0.00 C ATOM 1463 CD1 LEU A 96 -7.451 -1.705 -5.501 1.00 0.00 C ATOM 1464 CD2 LEU A 96 -9.024 -1.283 -7.401 1.00 0.00 C ATOM 0 H LEU A 96 -6.721 -5.235 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.590 -4.507 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.393 -3.711 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.052 -3.788 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.513 -2.237 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.640 -0.693 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -7.245 -2.358 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.591 -1.698 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.192 -0.277 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.204 -1.265 -8.119 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.929 -1.639 -7.893 1.00 0.00 H new ATOM 1476 N ASN A 97 -10.225 -6.569 -6.363 1.00 0.00 N ATOM 1477 CA ASN A 97 -10.634 -7.799 -7.032 1.00 0.00 C ATOM 1478 C ASN A 97 -11.890 -7.574 -7.866 1.00 0.00 C ATOM 1479 O ASN A 97 -12.348 -6.442 -8.024 1.00 0.00 O ATOM 1480 CB ASN A 97 -10.882 -8.904 -6.003 1.00 0.00 C ATOM 1481 CG ASN A 97 -12.175 -8.701 -5.237 1.00 0.00 C ATOM 1482 OD1 ASN A 97 -12.765 -7.621 -5.267 1.00 0.00 O ATOM 1483 ND2 ASN A 97 -12.624 -9.743 -4.546 1.00 0.00 N ATOM 0 H ASN A 97 -10.943 -6.152 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.828 -8.106 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.911 -9.869 -6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.049 -8.937 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.490 -9.666 -4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.103 -10.620 -4.549 1.00 0.00 H new ATOM 1490 N MET A 98 -12.445 -8.659 -8.396 1.00 0.00 N ATOM 1491 CA MET A 98 -13.651 -8.580 -9.212 1.00 0.00 C ATOM 1492 C MET A 98 -14.861 -8.208 -8.361 1.00 0.00 C ATOM 1493 O MET A 98 -15.983 -8.122 -8.862 1.00 0.00 O ATOM 1494 CB MET A 98 -13.901 -9.913 -9.921 1.00 0.00 C ATOM 1495 CG MET A 98 -14.009 -11.095 -8.971 1.00 0.00 C ATOM 1496 SD MET A 98 -14.219 -12.663 -9.835 1.00 0.00 S ATOM 1497 CE MET A 98 -15.996 -12.692 -10.056 1.00 0.00 C ATOM 0 H MET A 98 -12.079 -9.603 -8.275 1.00 0.00 H new ATOM 0 HA MET A 98 -13.503 -7.801 -9.960 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.820 -9.839 -10.502 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.091 -10.097 -10.627 1.00 0.00 H new ATOM 0 HG2 MET A 98 -13.113 -11.142 -8.353 1.00 0.00 H new ATOM 0 HG3 MET A 98 -14.852 -10.940 -8.298 1.00 0.00 H new ATOM 0 HE1 MET A 98 -16.323 -13.715 -10.241 1.00 0.00 H new ATOM 0 HE2 MET A 98 -16.481 -12.313 -9.156 1.00 0.00 H new ATOM 0 HE3 MET A 98 -16.267 -12.065 -10.906 1.00 0.00 H new ATOM 1507 N LEU A 99 -14.626 -7.989 -7.072 1.00 0.00 N ATOM 1508 CA LEU A 99 -15.697 -7.627 -6.150 1.00 0.00 C ATOM 1509 C LEU A 99 -15.565 -6.174 -5.706 1.00 0.00 C ATOM 1510 O LEU A 99 -16.551 -5.531 -5.349 1.00 0.00 O ATOM 1511 CB LEU A 99 -15.680 -8.549 -4.929 1.00 0.00 C ATOM 1512 CG LEU A 99 -15.717 -10.050 -5.222 1.00 0.00 C ATOM 1513 CD1 LEU A 99 -15.868 -10.841 -3.932 1.00 0.00 C ATOM 1514 CD2 LEU A 99 -16.846 -10.378 -6.187 1.00 0.00 C ATOM 0 H LEU A 99 -13.704 -8.056 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.647 -7.744 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -14.783 -8.334 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.534 -8.301 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 99 -14.774 -10.333 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -15.893 -11.907 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -15.025 -10.630 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.795 -10.554 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.857 -11.450 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -17.798 -10.080 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.693 -9.839 -7.122 1.00 0.00 H new ATOM 1526 N GLY A 100 -14.338 -5.662 -5.731 1.00 0.00 N ATOM 1527 CA GLY A 100 -14.099 -4.288 -5.331 1.00 0.00 C ATOM 1528 C GLY A 100 -12.729 -4.093 -4.714 1.00 0.00 C ATOM 1529 O GLY A 100 -11.862 -4.960 -4.827 1.00 0.00 O ATOM 0 H GLY A 100 -13.505 -6.175 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.198 -3.638 -6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.863 -3.983 -4.616 1.00 0.00 H new ATOM 1533 N GLU A 101 -12.531 -2.952 -4.062 1.00 0.00 N ATOM 1534 CA GLU A 101 -11.254 -2.646 -3.427 1.00 0.00 C ATOM 1535 C GLU A 101 -11.333 -2.854 -1.917 1.00 0.00 C ATOM 1536 O GLU A 101 -12.417 -2.837 -1.334 1.00 0.00 O ATOM 1537 CB GLU A 101 -10.838 -1.207 -3.734 1.00 0.00 C ATOM 1538 CG GLU A 101 -11.685 -0.164 -3.023 1.00 0.00 C ATOM 1539 CD GLU A 101 -12.919 0.223 -3.815 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.959 -0.452 -3.663 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -12.845 1.202 -4.588 1.00 0.00 O ATOM 0 H GLU A 101 -13.238 -2.224 -3.959 1.00 0.00 H new ATOM 0 HA GLU A 101 -10.505 -3.327 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.795 -1.071 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.900 -1.041 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.989 -0.550 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.082 0.725 -2.840 1.00 0.00 H new ATOM 1548 N SER A 102 -10.177 -3.052 -1.292 1.00 0.00 N ATOM 1549 CA SER A 102 -10.115 -3.267 0.149 1.00 0.00 C ATOM 1550 C SER A 102 -9.779 -1.970 0.879 1.00 0.00 C ATOM 1551 O SER A 102 -9.514 -0.944 0.252 1.00 0.00 O ATOM 1552 CB SER A 102 -9.073 -4.337 0.482 1.00 0.00 C ATOM 1553 OG SER A 102 -7.764 -3.792 0.479 1.00 0.00 O ATOM 0 H SER A 102 -9.271 -3.068 -1.760 1.00 0.00 H new ATOM 0 HA SER A 102 -11.095 -3.607 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.289 -4.768 1.460 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.135 -5.148 -0.244 1.00 0.00 H new ATOM 0 HG SER A 102 -7.107 -4.519 0.456 1.00 0.00 H new ATOM 1559 N GLU A 103 -9.794 -2.025 2.207 1.00 0.00 N ATOM 1560 CA GLU A 103 -9.491 -0.854 3.022 1.00 0.00 C ATOM 1561 C GLU A 103 -8.017 -0.476 2.906 1.00 0.00 C ATOM 1562 O GLU A 103 -7.165 -1.297 2.567 1.00 0.00 O ATOM 1563 CB GLU A 103 -9.847 -1.118 4.486 1.00 0.00 C ATOM 1564 CG GLU A 103 -11.295 -0.804 4.827 1.00 0.00 C ATOM 1565 CD GLU A 103 -11.688 -1.289 6.208 1.00 0.00 C ATOM 1566 OE1 GLU A 103 -11.339 -0.611 7.197 1.00 0.00 O ATOM 1567 OE2 GLU A 103 -12.344 -2.347 6.300 1.00 0.00 O ATOM 0 H GLU A 103 -10.012 -2.866 2.741 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.091 -0.022 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.647 -2.164 4.717 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.195 -0.521 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.453 0.273 4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.947 -1.265 4.085 1.00 0.00 H new ATOM 1574 N PRO A 104 -7.709 0.797 3.195 1.00 0.00 N ATOM 1575 CA PRO A 104 -6.339 1.314 3.130 1.00 0.00 C ATOM 1576 C PRO A 104 -5.452 0.746 4.235 1.00 0.00 C ATOM 1577 O PRO A 104 -5.555 1.147 5.393 1.00 0.00 O ATOM 1578 CB PRO A 104 -6.520 2.823 3.313 1.00 0.00 C ATOM 1579 CG PRO A 104 -7.798 2.963 4.065 1.00 0.00 C ATOM 1580 CD PRO A 104 -8.674 1.831 3.607 1.00 0.00 C ATOM 0 HA PRO A 104 -5.844 1.040 2.198 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -5.686 3.258 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.568 3.335 2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.626 2.913 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.267 3.926 3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.325 1.477 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.319 2.131 2.781 1.00 0.00 H new ATOM 1588 N SER A 105 -4.582 -0.188 3.867 1.00 0.00 N ATOM 1589 CA SER A 105 -3.680 -0.813 4.827 1.00 0.00 C ATOM 1590 C SER A 105 -3.110 0.223 5.790 1.00 0.00 C ATOM 1591 O SER A 105 -2.948 1.392 5.439 1.00 0.00 O ATOM 1592 CB SER A 105 -2.542 -1.529 4.098 1.00 0.00 C ATOM 1593 OG SER A 105 -1.506 -0.625 3.755 1.00 0.00 O ATOM 0 H SER A 105 -4.482 -0.529 2.911 1.00 0.00 H new ATOM 0 HA SER A 105 -4.250 -1.543 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.142 -2.321 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.927 -2.005 3.196 1.00 0.00 H new ATOM 0 HG SER A 105 -0.915 -0.496 4.526 1.00 0.00 H new ATOM 1599 N ALA A 106 -2.806 -0.214 7.008 1.00 0.00 N ATOM 1600 CA ALA A 106 -2.252 0.674 8.022 1.00 0.00 C ATOM 1601 C ALA A 106 -1.181 1.584 7.429 1.00 0.00 C ATOM 1602 O ALA A 106 -0.373 1.172 6.598 1.00 0.00 O ATOM 1603 CB ALA A 106 -1.679 -0.135 9.177 1.00 0.00 C ATOM 0 H ALA A 106 -2.934 -1.178 7.316 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.059 1.303 8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.269 0.541 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -2.468 -0.738 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -0.889 -0.788 8.807 1.00 0.00 H new ATOM 1609 N PRO A 107 -1.174 2.853 7.866 1.00 0.00 N ATOM 1610 CA PRO A 107 -0.209 3.848 7.391 1.00 0.00 C ATOM 1611 C PRO A 107 1.205 3.565 7.887 1.00 0.00 C ATOM 1612 O PRO A 107 1.614 4.056 8.940 1.00 0.00 O ATOM 1613 CB PRO A 107 -0.731 5.159 7.982 1.00 0.00 C ATOM 1614 CG PRO A 107 -1.505 4.750 9.186 1.00 0.00 C ATOM 1615 CD PRO A 107 -2.109 3.413 8.856 1.00 0.00 C ATOM 0 HA PRO A 107 -0.133 3.856 6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.088 5.828 8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.360 5.692 7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.858 4.681 10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.279 5.481 9.419 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.188 2.778 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.114 3.516 8.447 1.00 0.00 H new ATOM 1623 N SER A 108 1.950 2.773 7.123 1.00 0.00 N ATOM 1624 CA SER A 108 3.317 2.423 7.487 1.00 0.00 C ATOM 1625 C SER A 108 4.057 3.634 8.048 1.00 0.00 C ATOM 1626 O SER A 108 3.736 4.777 7.722 1.00 0.00 O ATOM 1627 CB SER A 108 4.067 1.872 6.272 1.00 0.00 C ATOM 1628 OG SER A 108 4.205 2.861 5.266 1.00 0.00 O ATOM 0 H SER A 108 1.629 2.361 6.247 1.00 0.00 H new ATOM 0 HA SER A 108 3.275 1.654 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.052 1.520 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.532 1.012 5.870 1.00 0.00 H new ATOM 0 HG SER A 108 3.568 2.683 4.543 1.00 0.00 H new ATOM 1634 N ARG A 109 5.049 3.375 8.893 1.00 0.00 N ATOM 1635 CA ARG A 109 5.834 4.442 9.501 1.00 0.00 C ATOM 1636 C ARG A 109 6.307 5.437 8.445 1.00 0.00 C ATOM 1637 O ARG A 109 6.498 5.097 7.277 1.00 0.00 O ATOM 1638 CB ARG A 109 7.037 3.860 10.245 1.00 0.00 C ATOM 1639 CG ARG A 109 7.959 3.037 9.361 1.00 0.00 C ATOM 1640 CD ARG A 109 8.745 2.018 10.171 1.00 0.00 C ATOM 1641 NE ARG A 109 9.966 2.588 10.733 1.00 0.00 N ATOM 1642 CZ ARG A 109 10.746 1.949 11.597 1.00 0.00 C ATOM 1643 NH1 ARG A 109 10.434 0.724 11.996 1.00 0.00 N ATOM 1644 NH2 ARG A 109 11.841 2.535 12.065 1.00 0.00 N ATOM 0 H ARG A 109 5.328 2.435 9.172 1.00 0.00 H new ATOM 0 HA ARG A 109 5.197 4.968 10.212 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.607 4.675 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 109 6.680 3.236 11.064 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.372 2.523 8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.650 3.699 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.119 1.636 10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.000 1.170 9.536 1.00 0.00 H new ATOM 0 HE ARG A 109 10.235 3.529 10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 109 9.593 0.270 11.639 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.035 0.235 12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 109 12.085 3.478 11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 109 12.439 2.043 12.729 1.00 0.00 H new ATOM 1658 N PRO A 110 6.503 6.696 8.864 1.00 0.00 N ATOM 1659 CA PRO A 110 6.957 7.766 7.970 1.00 0.00 C ATOM 1660 C PRO A 110 8.408 7.581 7.535 1.00 0.00 C ATOM 1661 O PRO A 110 9.242 7.107 8.307 1.00 0.00 O ATOM 1662 CB PRO A 110 6.813 9.027 8.825 1.00 0.00 C ATOM 1663 CG PRO A 110 6.910 8.545 10.231 1.00 0.00 C ATOM 1664 CD PRO A 110 6.297 7.172 10.242 1.00 0.00 C ATOM 0 HA PRO A 110 6.383 7.794 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 110 7.597 9.750 8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 110 5.860 9.523 8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 110 7.948 8.511 10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 110 6.381 9.214 10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 110 6.783 6.521 10.969 1.00 0.00 H new ATOM 0 HD3 PRO A 110 5.239 7.206 10.501 1.00 0.00 H new ATOM 1672 N TYR A 111 8.700 7.959 6.296 1.00 0.00 N ATOM 1673 CA TYR A 111 10.050 7.832 5.757 1.00 0.00 C ATOM 1674 C TYR A 111 10.482 9.122 5.064 1.00 0.00 C ATOM 1675 O TYR A 111 9.899 9.525 4.057 1.00 0.00 O ATOM 1676 CB TYR A 111 10.122 6.663 4.775 1.00 0.00 C ATOM 1677 CG TYR A 111 11.530 6.324 4.340 1.00 0.00 C ATOM 1678 CD1 TYR A 111 12.129 6.987 3.276 1.00 0.00 C ATOM 1679 CD2 TYR A 111 12.261 5.339 4.993 1.00 0.00 C ATOM 1680 CE1 TYR A 111 13.414 6.680 2.875 1.00 0.00 C ATOM 1681 CE2 TYR A 111 13.549 5.026 4.600 1.00 0.00 C ATOM 1682 CZ TYR A 111 14.120 5.699 3.541 1.00 0.00 C ATOM 1683 OH TYR A 111 15.402 5.391 3.144 1.00 0.00 O ATOM 0 H TYR A 111 8.021 8.356 5.646 1.00 0.00 H new ATOM 0 HA TYR A 111 10.730 7.641 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.671 5.784 5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.526 6.902 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.580 7.756 2.753 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.815 4.809 5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 111 13.864 7.204 2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 111 14.104 4.259 5.119 1.00 0.00 H new ATOM 0 HH TYR A 111 15.919 5.083 3.918 1.00 0.00 H new ATOM 1693 N VAL A 112 11.509 9.763 5.611 1.00 0.00 N ATOM 1694 CA VAL A 112 12.023 11.006 5.046 1.00 0.00 C ATOM 1695 C VAL A 112 13.096 10.730 3.999 1.00 0.00 C ATOM 1696 O VAL A 112 14.238 10.415 4.333 1.00 0.00 O ATOM 1697 CB VAL A 112 12.610 11.920 6.139 1.00 0.00 C ATOM 1698 CG1 VAL A 112 13.049 13.249 5.544 1.00 0.00 C ATOM 1699 CG2 VAL A 112 11.596 12.134 7.253 1.00 0.00 C ATOM 0 H VAL A 112 12.002 9.443 6.445 1.00 0.00 H new ATOM 0 HA VAL A 112 11.180 11.512 4.575 1.00 0.00 H new ATOM 0 HB VAL A 112 13.487 11.433 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.461 13.881 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.810 13.074 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.191 13.746 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.026 12.782 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.700 12.601 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.335 11.173 7.697 1.00 0.00 H new ATOM 1709 N VAL A 113 12.722 10.853 2.729 1.00 0.00 N ATOM 1710 CA VAL A 113 13.653 10.619 1.632 1.00 0.00 C ATOM 1711 C VAL A 113 14.651 11.765 1.504 1.00 0.00 C ATOM 1712 O VAL A 113 14.285 12.881 1.137 1.00 0.00 O ATOM 1713 CB VAL A 113 12.911 10.446 0.294 1.00 0.00 C ATOM 1714 CG1 VAL A 113 13.867 10.631 -0.875 1.00 0.00 C ATOM 1715 CG2 VAL A 113 12.236 9.085 0.231 1.00 0.00 C ATOM 0 H VAL A 113 11.781 11.113 2.435 1.00 0.00 H new ATOM 0 HA VAL A 113 14.190 9.699 1.863 1.00 0.00 H new ATOM 0 HB VAL A 113 12.139 11.212 0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.325 10.505 -1.812 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.299 11.631 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.664 9.889 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.716 8.980 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.988 8.301 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.519 8.996 1.047 1.00 0.00 H new ATOM 1725 N SER A 114 15.912 11.480 1.809 1.00 0.00 N ATOM 1726 CA SER A 114 16.963 12.488 1.732 1.00 0.00 C ATOM 1727 C SER A 114 17.885 12.223 0.544 1.00 0.00 C ATOM 1728 O SER A 114 17.763 11.203 -0.134 1.00 0.00 O ATOM 1729 CB SER A 114 17.776 12.509 3.027 1.00 0.00 C ATOM 1730 OG SER A 114 18.484 13.729 3.166 1.00 0.00 O ATOM 0 H SER A 114 16.231 10.560 2.112 1.00 0.00 H new ATOM 0 HA SER A 114 16.489 13.460 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.111 12.372 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.478 11.675 3.033 1.00 0.00 H new ATOM 0 HG SER A 114 18.994 13.718 4.003 1.00 0.00 H new