USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 582 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 35 LYS NZ :NH3+ -123:sc= 0.557 (180deg=-2.9!) USER MOD Set 1.2: A 38 THR OG1 : rot 100:sc= -1.43 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.058 X(o=0.12,f=-0.38) USER MOD Set 2.2: A 33 LYS NZ :NH3+ -160:sc= 0.0599 (180deg=-0.0663) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 17 HIS : no HD1:sc= -0.499 X(o=-0.5,f=-0.53) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 37 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.2) USER MOD Single : A 41 SER OG : rot 180:sc= 0.00922 USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= -0.391 (180deg=-1.62!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 90:sc= -0.571 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.542 USER MOD Single : A 51 GLN : amide:sc= -0.713 K(o=-0.71,f=-4!) USER MOD Single : A 54 SER OG : rot 55:sc= -0.213 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0019 X(o=-0.0019,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc=-0.00956 X(o=-0.0096,f=-0.17) USER MOD Single : A 70 THR OG1 : rot -56:sc= 0.926 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 78 MET CE :methyl -146:sc= -3.69 (180deg=-10.4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 1.700 18.548 -6.125 1.00 0.00 N ATOM 217 CA ASN A 15 0.700 18.874 -5.115 1.00 0.00 C ATOM 218 C ASN A 15 1.214 18.550 -3.715 1.00 0.00 C ATOM 219 O ASN A 15 1.445 19.447 -2.905 1.00 0.00 O ATOM 220 CB ASN A 15 -0.596 18.108 -5.385 1.00 0.00 C ATOM 221 CG ASN A 15 -1.812 18.804 -4.804 1.00 0.00 C ATOM 222 OD1 ASN A 15 -2.052 19.982 -5.069 1.00 0.00 O ATOM 223 ND2 ASN A 15 -2.585 18.077 -4.006 1.00 0.00 N ATOM 0 HA ASN A 15 0.500 19.944 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.728 17.990 -6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.518 17.106 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.416 18.492 -3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.348 17.104 -3.814 1.00 0.00 H new ATOM 230 N ASP A 16 1.389 17.263 -3.439 1.00 0.00 N ATOM 231 CA ASP A 16 1.877 16.819 -2.139 1.00 0.00 C ATOM 232 C ASP A 16 2.646 15.507 -2.265 1.00 0.00 C ATOM 233 O ASP A 16 2.709 14.914 -3.342 1.00 0.00 O ATOM 234 CB ASP A 16 0.711 16.650 -1.164 1.00 0.00 C ATOM 235 CG ASP A 16 0.557 17.837 -0.234 1.00 0.00 C ATOM 236 OD1 ASP A 16 1.350 17.948 0.724 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.357 18.656 -0.466 1.00 0.00 O ATOM 0 H ASP A 16 1.200 16.508 -4.099 1.00 0.00 H new ATOM 0 HA ASP A 16 2.555 17.580 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.212 16.511 -1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.863 15.747 -0.573 1.00 0.00 H new ATOM 242 N HIS A 17 3.229 15.060 -1.158 1.00 0.00 N ATOM 243 CA HIS A 17 3.994 13.818 -1.145 1.00 0.00 C ATOM 244 C HIS A 17 4.122 13.273 0.275 1.00 0.00 C ATOM 245 O HIS A 17 4.983 13.707 1.041 1.00 0.00 O ATOM 246 CB HIS A 17 5.383 14.043 -1.743 1.00 0.00 C ATOM 247 CG HIS A 17 6.080 15.253 -1.201 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.841 16.530 -1.664 1.00 0.00 N ATOM 249 CD2 HIS A 17 7.012 15.376 -0.228 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.598 17.385 -1.000 1.00 0.00 C ATOM 251 NE2 HIS A 17 7.318 16.710 -0.123 1.00 0.00 N ATOM 0 H HIS A 17 3.187 15.539 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 17 3.460 13.086 -1.750 1.00 0.00 H new ATOM 0 HB2 HIS A 17 5.998 13.164 -1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.292 14.140 -2.825 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.436 14.574 0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.624 18.454 -1.149 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.992 17.114 0.527 1.00 0.00 H new ATOM 259 N ILE A 18 3.259 12.323 0.618 1.00 0.00 N ATOM 260 CA ILE A 18 3.276 11.719 1.945 1.00 0.00 C ATOM 261 C ILE A 18 4.040 10.400 1.939 1.00 0.00 C ATOM 262 O ILE A 18 4.524 9.956 0.899 1.00 0.00 O ATOM 263 CB ILE A 18 1.849 11.471 2.469 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.226 10.265 1.763 1.00 0.00 C ATOM 265 CG2 ILE A 18 0.989 12.711 2.271 1.00 0.00 C ATOM 266 CD1 ILE A 18 -0.195 9.981 2.195 1.00 0.00 C ATOM 0 H ILE A 18 2.539 11.955 -0.004 1.00 0.00 H new ATOM 0 HA ILE A 18 3.779 12.424 2.606 1.00 0.00 H new ATOM 0 HB ILE A 18 1.901 11.256 3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.243 10.436 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.839 9.385 1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.016 12.520 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.427 13.548 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.940 12.954 1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.573 9.113 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.216 9.779 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.821 10.846 1.977 1.00 0.00 H new ATOM 278 N ASN A 19 4.142 9.776 3.108 1.00 0.00 N ATOM 279 CA ASN A 19 4.846 8.506 3.238 1.00 0.00 C ATOM 280 C ASN A 19 3.898 7.402 3.697 1.00 0.00 C ATOM 281 O ASN A 19 3.018 7.631 4.528 1.00 0.00 O ATOM 282 CB ASN A 19 6.006 8.640 4.227 1.00 0.00 C ATOM 283 CG ASN A 19 7.197 7.783 3.842 1.00 0.00 C ATOM 284 OD1 ASN A 19 8.157 8.268 3.243 1.00 0.00 O ATOM 285 ND2 ASN A 19 7.139 6.502 4.185 1.00 0.00 N ATOM 0 H ASN A 19 3.746 10.130 3.979 1.00 0.00 H new ATOM 0 HA ASN A 19 5.241 8.237 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 19 6.315 9.684 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.665 8.357 5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.910 5.876 3.953 1.00 0.00 H new ATOM 0 HD22 ASN A 19 6.323 6.143 4.681 1.00 0.00 H new ATOM 292 N LEU A 20 4.083 6.206 3.150 1.00 0.00 N ATOM 293 CA LEU A 20 3.244 5.065 3.503 1.00 0.00 C ATOM 294 C LEU A 20 4.057 3.775 3.516 1.00 0.00 C ATOM 295 O LEU A 20 5.041 3.641 2.789 1.00 0.00 O ATOM 296 CB LEU A 20 2.081 4.939 2.519 1.00 0.00 C ATOM 297 CG LEU A 20 0.797 4.320 3.072 1.00 0.00 C ATOM 298 CD1 LEU A 20 0.252 5.157 4.219 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.245 4.177 1.972 1.00 0.00 C ATOM 0 H LEU A 20 4.806 6.000 2.461 1.00 0.00 H new ATOM 0 HA LEU A 20 2.848 5.232 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.846 5.932 2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.413 4.341 1.670 1.00 0.00 H new ATOM 0 HG LEU A 20 1.031 3.326 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.662 4.701 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.993 5.207 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.034 6.164 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.152 3.735 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.476 5.159 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.145 3.535 1.183 1.00 0.00 H new ATOM 311 N LYS A 21 3.638 2.826 4.347 1.00 0.00 N ATOM 312 CA LYS A 21 4.324 1.544 4.454 1.00 0.00 C ATOM 313 C LYS A 21 3.324 0.394 4.507 1.00 0.00 C ATOM 314 O LYS A 21 2.638 0.201 5.512 1.00 0.00 O ATOM 315 CB LYS A 21 5.213 1.520 5.699 1.00 0.00 C ATOM 316 CG LYS A 21 6.001 2.801 5.910 1.00 0.00 C ATOM 317 CD LYS A 21 7.221 2.568 6.784 1.00 0.00 C ATOM 318 CE LYS A 21 8.209 3.720 6.681 1.00 0.00 C ATOM 319 NZ LYS A 21 9.616 3.261 6.848 1.00 0.00 N ATOM 0 H LYS A 21 2.826 2.921 4.957 1.00 0.00 H new ATOM 0 HA LYS A 21 4.947 1.419 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.591 1.338 6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.909 0.684 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.314 3.199 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.360 3.552 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.909 2.447 7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.710 1.640 6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.099 4.207 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.978 4.466 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.258 4.075 6.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.728 2.818 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.845 2.568 6.107 1.00 0.00 H new ATOM 333 N VAL A 22 3.245 -0.367 3.421 1.00 0.00 N ATOM 334 CA VAL A 22 2.330 -1.500 3.346 1.00 0.00 C ATOM 335 C VAL A 22 2.999 -2.781 3.832 1.00 0.00 C ATOM 336 O VAL A 22 3.704 -3.450 3.078 1.00 0.00 O ATOM 337 CB VAL A 22 1.820 -1.715 1.908 1.00 0.00 C ATOM 338 CG1 VAL A 22 0.688 -2.730 1.889 1.00 0.00 C ATOM 339 CG2 VAL A 22 1.373 -0.394 1.299 1.00 0.00 C ATOM 0 H VAL A 22 3.804 -0.220 2.580 1.00 0.00 H new ATOM 0 HA VAL A 22 1.485 -1.267 3.993 1.00 0.00 H new ATOM 0 HB VAL A 22 2.639 -2.109 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.341 -2.869 0.865 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.046 -3.681 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.135 -2.369 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.016 -0.564 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.569 0.030 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.214 0.299 1.277 1.00 0.00 H new ATOM 349 N ALA A 23 2.773 -3.116 5.098 1.00 0.00 N ATOM 350 CA ALA A 23 3.352 -4.318 5.685 1.00 0.00 C ATOM 351 C ALA A 23 2.275 -5.194 6.315 1.00 0.00 C ATOM 352 O ALA A 23 1.588 -4.777 7.247 1.00 0.00 O ATOM 353 CB ALA A 23 4.404 -3.946 6.719 1.00 0.00 C ATOM 0 H ALA A 23 2.193 -2.572 5.737 1.00 0.00 H new ATOM 0 HA ALA A 23 3.828 -4.889 4.888 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.828 -4.853 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.195 -3.367 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.944 -3.351 7.508 1.00 0.00 H new ATOM 359 N GLY A 24 2.132 -6.411 5.799 1.00 0.00 N ATOM 360 CA GLY A 24 1.136 -7.327 6.324 1.00 0.00 C ATOM 361 C GLY A 24 1.516 -7.883 7.682 1.00 0.00 C ATOM 362 O GLY A 24 2.684 -8.181 7.931 1.00 0.00 O ATOM 0 H GLY A 24 2.688 -6.779 5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.178 -6.812 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.999 -8.151 5.623 1.00 0.00 H new ATOM 366 N GLN A 25 0.529 -8.020 8.561 1.00 0.00 N ATOM 367 CA GLN A 25 0.769 -8.541 9.902 1.00 0.00 C ATOM 368 C GLN A 25 1.346 -9.952 9.842 1.00 0.00 C ATOM 369 O GLN A 25 1.923 -10.438 10.815 1.00 0.00 O ATOM 370 CB GLN A 25 -0.530 -8.543 10.710 1.00 0.00 C ATOM 371 CG GLN A 25 -0.414 -9.258 12.047 1.00 0.00 C ATOM 372 CD GLN A 25 -1.637 -9.065 12.920 1.00 0.00 C ATOM 373 OE1 GLN A 25 -1.948 -7.948 13.336 1.00 0.00 O ATOM 374 NE2 GLN A 25 -2.341 -10.155 13.203 1.00 0.00 N ATOM 0 H GLN A 25 -0.443 -7.778 8.370 1.00 0.00 H new ATOM 0 HA GLN A 25 1.494 -7.892 10.393 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.841 -7.513 10.884 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.314 -9.018 10.120 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.261 -10.323 11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.466 -8.892 12.575 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.048 -11.061 12.837 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.175 -10.086 13.786 1.00 0.00 H new ATOM 383 N ASP A 26 1.186 -10.603 8.696 1.00 0.00 N ATOM 384 CA ASP A 26 1.692 -11.958 8.509 1.00 0.00 C ATOM 385 C ASP A 26 3.192 -11.944 8.231 1.00 0.00 C ATOM 386 O ASP A 26 3.996 -12.309 9.088 1.00 0.00 O ATOM 387 CB ASP A 26 0.954 -12.647 7.361 1.00 0.00 C ATOM 388 CG ASP A 26 -0.394 -13.195 7.785 1.00 0.00 C ATOM 389 OD1 ASP A 26 -1.344 -12.396 7.919 1.00 0.00 O ATOM 390 OD2 ASP A 26 -0.499 -14.424 7.982 1.00 0.00 O ATOM 0 H ASP A 26 0.710 -10.215 7.882 1.00 0.00 H new ATOM 0 HA ASP A 26 1.516 -12.515 9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.814 -11.938 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.568 -13.460 6.974 1.00 0.00 H new ATOM 395 N GLY A 27 3.562 -11.522 7.026 1.00 0.00 N ATOM 396 CA GLY A 27 4.964 -11.470 6.655 1.00 0.00 C ATOM 397 C GLY A 27 5.202 -10.657 5.398 1.00 0.00 C ATOM 398 O GLY A 27 5.779 -11.152 4.430 1.00 0.00 O ATOM 0 H GLY A 27 2.915 -11.215 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.538 -11.040 7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.334 -12.484 6.504 1.00 0.00 H new ATOM 402 N SER A 28 4.755 -9.405 5.412 1.00 0.00 N ATOM 403 CA SER A 28 4.918 -8.523 4.262 1.00 0.00 C ATOM 404 C SER A 28 5.361 -7.131 4.703 1.00 0.00 C ATOM 405 O SER A 28 5.074 -6.701 5.820 1.00 0.00 O ATOM 406 CB SER A 28 3.609 -8.428 3.476 1.00 0.00 C ATOM 407 OG SER A 28 3.512 -9.469 2.519 1.00 0.00 O ATOM 0 H SER A 28 4.278 -8.979 6.206 1.00 0.00 H new ATOM 0 HA SER A 28 5.690 -8.945 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.764 -8.481 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.552 -7.462 2.974 1.00 0.00 H new ATOM 0 HG SER A 28 2.666 -9.387 2.031 1.00 0.00 H new ATOM 413 N VAL A 29 6.063 -6.432 3.817 1.00 0.00 N ATOM 414 CA VAL A 29 6.546 -5.089 4.113 1.00 0.00 C ATOM 415 C VAL A 29 7.025 -4.386 2.848 1.00 0.00 C ATOM 416 O VAL A 29 7.945 -4.851 2.176 1.00 0.00 O ATOM 417 CB VAL A 29 7.696 -5.118 5.137 1.00 0.00 C ATOM 418 CG1 VAL A 29 8.811 -6.038 4.662 1.00 0.00 C ATOM 419 CG2 VAL A 29 8.223 -3.713 5.387 1.00 0.00 C ATOM 0 H VAL A 29 6.310 -6.774 2.888 1.00 0.00 H new ATOM 0 HA VAL A 29 5.706 -4.538 4.536 1.00 0.00 H new ATOM 0 HB VAL A 29 7.311 -5.509 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.615 -6.046 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.421 -7.049 4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.197 -5.680 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.035 -3.753 6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.592 -3.291 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.420 -3.087 5.775 1.00 0.00 H new ATOM 429 N VAL A 30 6.394 -3.260 2.528 1.00 0.00 N ATOM 430 CA VAL A 30 6.756 -2.491 1.343 1.00 0.00 C ATOM 431 C VAL A 30 6.613 -0.994 1.595 1.00 0.00 C ATOM 432 O VAL A 30 5.746 -0.563 2.355 1.00 0.00 O ATOM 433 CB VAL A 30 5.888 -2.882 0.133 1.00 0.00 C ATOM 434 CG1 VAL A 30 6.413 -2.226 -1.135 1.00 0.00 C ATOM 435 CG2 VAL A 30 5.838 -4.394 -0.020 1.00 0.00 C ATOM 0 H VAL A 30 5.630 -2.860 3.073 1.00 0.00 H new ATOM 0 HA VAL A 30 7.798 -2.722 1.122 1.00 0.00 H new ATOM 0 HB VAL A 30 4.873 -2.524 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.787 -2.514 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.391 -1.142 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.438 -2.551 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.220 -4.652 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.847 -4.778 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.411 -4.837 0.880 1.00 0.00 H new ATOM 445 N GLN A 31 7.469 -0.207 0.952 1.00 0.00 N ATOM 446 CA GLN A 31 7.438 1.243 1.107 1.00 0.00 C ATOM 447 C GLN A 31 7.003 1.920 -0.189 1.00 0.00 C ATOM 448 O GLN A 31 7.386 1.497 -1.280 1.00 0.00 O ATOM 449 CB GLN A 31 8.813 1.761 1.531 1.00 0.00 C ATOM 450 CG GLN A 31 9.249 1.278 2.905 1.00 0.00 C ATOM 451 CD GLN A 31 10.729 1.490 3.156 1.00 0.00 C ATOM 452 OE1 GLN A 31 11.379 2.283 2.474 1.00 0.00 O ATOM 453 NE2 GLN A 31 11.270 0.779 4.138 1.00 0.00 N ATOM 0 H GLN A 31 8.192 -0.548 0.319 1.00 0.00 H new ATOM 0 HA GLN A 31 6.712 1.485 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 31 9.553 1.449 0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.799 2.851 1.526 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.676 1.803 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.016 0.218 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.693 0.133 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.262 0.878 4.353 1.00 0.00 H new ATOM 462 N PHE A 32 6.202 2.972 -0.061 1.00 0.00 N ATOM 463 CA PHE A 32 5.714 3.707 -1.222 1.00 0.00 C ATOM 464 C PHE A 32 5.459 5.170 -0.872 1.00 0.00 C ATOM 465 O PHE A 32 5.217 5.510 0.286 1.00 0.00 O ATOM 466 CB PHE A 32 4.430 3.067 -1.754 1.00 0.00 C ATOM 467 CG PHE A 32 4.608 2.373 -3.074 1.00 0.00 C ATOM 468 CD1 PHE A 32 4.965 1.036 -3.127 1.00 0.00 C ATOM 469 CD2 PHE A 32 4.418 3.059 -4.263 1.00 0.00 C ATOM 470 CE1 PHE A 32 5.131 0.395 -4.340 1.00 0.00 C ATOM 471 CE2 PHE A 32 4.582 2.424 -5.480 1.00 0.00 C ATOM 472 CZ PHE A 32 4.938 1.090 -5.518 1.00 0.00 C ATOM 0 H PHE A 32 5.877 3.335 0.835 1.00 0.00 H new ATOM 0 HA PHE A 32 6.481 3.665 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.061 2.349 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.666 3.837 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.116 0.487 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.139 4.102 -4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.411 -0.648 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.432 2.970 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.065 0.591 -6.467 1.00 0.00 H new ATOM 482 N LYS A 33 5.515 6.032 -1.881 1.00 0.00 N ATOM 483 CA LYS A 33 5.290 7.459 -1.683 1.00 0.00 C ATOM 484 C LYS A 33 4.331 8.009 -2.733 1.00 0.00 C ATOM 485 O LYS A 33 4.426 7.670 -3.913 1.00 0.00 O ATOM 486 CB LYS A 33 6.618 8.218 -1.742 1.00 0.00 C ATOM 487 CG LYS A 33 7.722 7.578 -0.918 1.00 0.00 C ATOM 488 CD LYS A 33 8.901 8.519 -0.738 1.00 0.00 C ATOM 489 CE LYS A 33 10.168 7.762 -0.371 1.00 0.00 C ATOM 490 NZ LYS A 33 9.979 6.921 0.844 1.00 0.00 N ATOM 0 H LYS A 33 5.715 5.767 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 33 4.842 7.598 -0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.943 8.284 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.460 9.238 -1.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.330 7.294 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.057 6.663 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.064 9.079 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.672 9.246 0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.469 7.130 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.978 8.471 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.906 6.696 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.406 7.440 1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.493 6.039 0.584 1.00 0.00 H new ATOM 504 N ILE A 34 3.409 8.861 -2.297 1.00 0.00 N ATOM 505 CA ILE A 34 2.435 9.460 -3.201 1.00 0.00 C ATOM 506 C ILE A 34 1.843 10.733 -2.606 1.00 0.00 C ATOM 507 O ILE A 34 2.009 11.012 -1.418 1.00 0.00 O ATOM 508 CB ILE A 34 1.292 8.480 -3.527 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.700 8.792 -4.903 1.00 0.00 C ATOM 510 CG2 ILE A 34 0.216 8.545 -2.454 1.00 0.00 C ATOM 511 CD1 ILE A 34 0.239 7.563 -5.655 1.00 0.00 C ATOM 0 H ILE A 34 3.316 9.152 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 34 2.967 9.704 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 34 1.696 7.468 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.144 9.471 -4.781 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.447 9.315 -5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.585 7.847 -2.699 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.648 8.278 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.187 9.556 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.169 7.859 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.084 6.892 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.531 7.051 -5.078 1.00 0.00 H new ATOM 523 N LYS A 35 1.149 11.502 -3.438 1.00 0.00 N ATOM 524 CA LYS A 35 0.528 12.745 -2.995 1.00 0.00 C ATOM 525 C LYS A 35 -0.608 12.467 -2.016 1.00 0.00 C ATOM 526 O LYS A 35 -0.829 11.324 -1.616 1.00 0.00 O ATOM 527 CB LYS A 35 0.000 13.531 -4.197 1.00 0.00 C ATOM 528 CG LYS A 35 -1.013 12.763 -5.028 1.00 0.00 C ATOM 529 CD LYS A 35 -1.552 13.609 -6.170 1.00 0.00 C ATOM 530 CE LYS A 35 -1.534 12.845 -7.486 1.00 0.00 C ATOM 531 NZ LYS A 35 -2.882 12.324 -7.844 1.00 0.00 N ATOM 0 H LYS A 35 1.002 11.286 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 35 1.286 13.339 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.458 14.455 -3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.839 13.814 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.548 11.862 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.837 12.440 -4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.571 13.921 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.955 14.516 -6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.175 13.499 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.831 12.015 -7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.834 11.292 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.555 12.551 -7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.200 12.764 -8.731 1.00 0.00 H new ATOM 545 N ARG A 36 -1.326 13.518 -1.636 1.00 0.00 N ATOM 546 CA ARG A 36 -2.440 13.387 -0.704 1.00 0.00 C ATOM 547 C ARG A 36 -3.726 13.029 -1.442 1.00 0.00 C ATOM 548 O ARG A 36 -4.535 12.239 -0.954 1.00 0.00 O ATOM 549 CB ARG A 36 -2.633 14.686 0.080 1.00 0.00 C ATOM 550 CG ARG A 36 -1.899 14.709 1.411 1.00 0.00 C ATOM 551 CD ARG A 36 -2.631 15.561 2.436 1.00 0.00 C ATOM 552 NE ARG A 36 -2.786 16.943 1.988 1.00 0.00 N ATOM 553 CZ ARG A 36 -3.182 17.932 2.782 1.00 0.00 C ATOM 554 NH1 ARG A 36 -3.462 17.693 4.055 1.00 0.00 N ATOM 555 NH2 ARG A 36 -3.298 19.163 2.301 1.00 0.00 N ATOM 0 H ARG A 36 -1.156 14.471 -1.959 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.205 12.582 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.290 15.522 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.697 14.838 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.796 13.692 1.789 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.891 15.098 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.613 15.130 2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.084 15.545 3.378 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.579 17.160 1.013 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.374 16.748 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.766 18.454 4.662 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.083 19.350 1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.602 19.922 2.911 1.00 0.00 H new ATOM 569 N HIS A 37 -3.909 13.616 -2.621 1.00 0.00 N ATOM 570 CA HIS A 37 -5.098 13.360 -3.426 1.00 0.00 C ATOM 571 C HIS A 37 -4.771 12.439 -4.598 1.00 0.00 C ATOM 572 O HIS A 37 -4.828 12.849 -5.758 1.00 0.00 O ATOM 573 CB HIS A 37 -5.683 14.674 -3.943 1.00 0.00 C ATOM 574 CG HIS A 37 -6.955 14.501 -4.715 1.00 0.00 C ATOM 575 ND1 HIS A 37 -7.075 14.824 -6.050 1.00 0.00 N ATOM 576 CD2 HIS A 37 -8.167 14.034 -4.332 1.00 0.00 C ATOM 577 CE1 HIS A 37 -8.306 14.565 -6.455 1.00 0.00 C ATOM 578 NE2 HIS A 37 -8.988 14.084 -5.431 1.00 0.00 N ATOM 0 H HIS A 37 -3.249 14.272 -3.040 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.836 12.867 -2.793 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.868 15.337 -3.098 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.946 15.165 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.437 13.687 -3.346 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.689 14.720 -7.453 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -9.966 13.796 -5.453 1.00 0.00 H new ATOM 586 N THR A 38 -4.429 11.193 -4.288 1.00 0.00 N ATOM 587 CA THR A 38 -4.091 10.215 -5.315 1.00 0.00 C ATOM 588 C THR A 38 -5.113 9.084 -5.355 1.00 0.00 C ATOM 589 O THR A 38 -5.644 8.659 -4.329 1.00 0.00 O ATOM 590 CB THR A 38 -2.690 9.617 -5.083 1.00 0.00 C ATOM 591 OG1 THR A 38 -2.044 9.381 -6.339 1.00 0.00 O ATOM 592 CG2 THR A 38 -2.780 8.316 -4.300 1.00 0.00 C ATOM 0 H THR A 38 -4.379 10.837 -3.334 1.00 0.00 H new ATOM 0 HA THR A 38 -4.099 10.743 -6.269 1.00 0.00 H new ATOM 0 HB THR A 38 -2.105 10.331 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.415 10.109 -6.525 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.779 7.913 -4.148 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.245 8.505 -3.333 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.380 7.597 -4.857 1.00 0.00 H new ATOM 600 N PRO A 39 -5.396 8.584 -6.567 1.00 0.00 N ATOM 601 CA PRO A 39 -6.356 7.495 -6.769 1.00 0.00 C ATOM 602 C PRO A 39 -5.843 6.163 -6.231 1.00 0.00 C ATOM 603 O PRO A 39 -4.920 5.570 -6.790 1.00 0.00 O ATOM 604 CB PRO A 39 -6.508 7.434 -8.291 1.00 0.00 C ATOM 605 CG PRO A 39 -5.234 7.996 -8.821 1.00 0.00 C ATOM 606 CD PRO A 39 -4.800 9.043 -7.833 1.00 0.00 C ATOM 0 HA PRO A 39 -7.292 7.674 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.662 6.411 -8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.367 8.015 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.477 7.218 -8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.381 8.430 -9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.714 9.107 -7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.161 10.033 -8.112 1.00 0.00 H new ATOM 614 N LEU A 40 -6.448 5.698 -5.143 1.00 0.00 N ATOM 615 CA LEU A 40 -6.053 4.435 -4.529 1.00 0.00 C ATOM 616 C LEU A 40 -5.993 3.320 -5.568 1.00 0.00 C ATOM 617 O LEU A 40 -5.210 2.379 -5.439 1.00 0.00 O ATOM 618 CB LEU A 40 -7.032 4.058 -3.416 1.00 0.00 C ATOM 619 CG LEU A 40 -6.787 4.715 -2.057 1.00 0.00 C ATOM 620 CD1 LEU A 40 -7.862 4.301 -1.063 1.00 0.00 C ATOM 621 CD2 LEU A 40 -5.405 4.355 -1.531 1.00 0.00 C ATOM 0 H LEU A 40 -7.214 6.176 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.058 4.563 -4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.040 4.313 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.003 2.976 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.835 5.797 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.672 4.778 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.839 4.610 -1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.846 3.218 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.249 4.831 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.328 3.273 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.647 4.702 -2.233 1.00 0.00 H new ATOM 633 N SER A 41 -6.824 3.433 -6.599 1.00 0.00 N ATOM 634 CA SER A 41 -6.867 2.434 -7.660 1.00 0.00 C ATOM 635 C SER A 41 -5.468 2.157 -8.203 1.00 0.00 C ATOM 636 O SER A 41 -5.062 1.004 -8.348 1.00 0.00 O ATOM 637 CB SER A 41 -7.782 2.901 -8.793 1.00 0.00 C ATOM 638 OG SER A 41 -9.006 3.404 -8.286 1.00 0.00 O ATOM 0 H SER A 41 -7.477 4.207 -6.722 1.00 0.00 H new ATOM 0 HA SER A 41 -7.264 1.510 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.280 3.675 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.979 2.071 -9.471 1.00 0.00 H new ATOM 0 HG SER A 41 -9.572 3.698 -9.030 1.00 0.00 H new ATOM 644 N LYS A 42 -4.734 3.224 -8.501 1.00 0.00 N ATOM 645 CA LYS A 42 -3.380 3.100 -9.026 1.00 0.00 C ATOM 646 C LYS A 42 -2.541 2.170 -8.155 1.00 0.00 C ATOM 647 O LYS A 42 -1.619 1.512 -8.639 1.00 0.00 O ATOM 648 CB LYS A 42 -2.715 4.475 -9.111 1.00 0.00 C ATOM 649 CG LYS A 42 -2.253 5.011 -7.766 1.00 0.00 C ATOM 650 CD LYS A 42 -0.790 4.690 -7.511 1.00 0.00 C ATOM 651 CE LYS A 42 0.128 5.669 -8.226 1.00 0.00 C ATOM 652 NZ LYS A 42 0.532 5.171 -9.570 1.00 0.00 N ATOM 0 H LYS A 42 -5.055 4.185 -8.387 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.444 2.672 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.858 4.414 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.417 5.182 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.401 6.090 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.864 4.581 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.591 4.719 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.575 3.676 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.377 6.629 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.018 5.841 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.520 5.438 -9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.442 4.135 -9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.083 5.592 -10.295 1.00 0.00 H new ATOM 666 N LEU A 43 -2.868 2.120 -6.868 1.00 0.00 N ATOM 667 CA LEU A 43 -2.145 1.269 -5.928 1.00 0.00 C ATOM 668 C LEU A 43 -2.505 -0.198 -6.135 1.00 0.00 C ATOM 669 O LEU A 43 -1.652 -1.013 -6.485 1.00 0.00 O ATOM 670 CB LEU A 43 -2.457 1.685 -4.490 1.00 0.00 C ATOM 671 CG LEU A 43 -1.339 1.467 -3.470 1.00 0.00 C ATOM 672 CD1 LEU A 43 -0.842 0.030 -3.522 1.00 0.00 C ATOM 673 CD2 LEU A 43 -0.194 2.438 -3.718 1.00 0.00 C ATOM 0 H LEU A 43 -3.628 2.658 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.077 1.391 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.722 2.742 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.337 1.135 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.740 1.656 -2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.047 -0.107 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.665 -0.648 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.458 -0.186 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.593 2.268 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.206 2.281 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.559 3.461 -3.629 1.00 0.00 H new ATOM 685 N MET A 44 -3.774 -0.528 -5.918 1.00 0.00 N ATOM 686 CA MET A 44 -4.247 -1.897 -6.084 1.00 0.00 C ATOM 687 C MET A 44 -3.871 -2.439 -7.459 1.00 0.00 C ATOM 688 O MET A 44 -3.382 -3.562 -7.583 1.00 0.00 O ATOM 689 CB MET A 44 -5.764 -1.962 -5.894 1.00 0.00 C ATOM 690 CG MET A 44 -6.526 -0.954 -6.740 1.00 0.00 C ATOM 691 SD MET A 44 -8.290 -0.930 -6.370 1.00 0.00 S ATOM 692 CE MET A 44 -8.851 -2.354 -7.301 1.00 0.00 C ATOM 0 H MET A 44 -4.493 0.134 -5.627 1.00 0.00 H new ATOM 0 HA MET A 44 -3.767 -2.515 -5.326 1.00 0.00 H new ATOM 0 HB2 MET A 44 -6.110 -2.966 -6.140 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.998 -1.793 -4.843 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.111 0.040 -6.576 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.383 -1.189 -7.795 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.927 -2.472 -7.172 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.625 -2.210 -8.358 1.00 0.00 H new ATOM 0 HE3 MET A 44 -8.342 -3.248 -6.940 1.00 0.00 H new ATOM 702 N LYS A 45 -4.104 -1.634 -8.491 1.00 0.00 N ATOM 703 CA LYS A 45 -3.789 -2.032 -9.858 1.00 0.00 C ATOM 704 C LYS A 45 -2.353 -2.536 -9.961 1.00 0.00 C ATOM 705 O LYS A 45 -2.101 -3.616 -10.495 1.00 0.00 O ATOM 706 CB LYS A 45 -3.998 -0.856 -10.814 1.00 0.00 C ATOM 707 CG LYS A 45 -3.939 -1.246 -12.281 1.00 0.00 C ATOM 708 CD LYS A 45 -3.830 -0.025 -13.179 1.00 0.00 C ATOM 709 CE LYS A 45 -3.229 -0.380 -14.531 1.00 0.00 C ATOM 710 NZ LYS A 45 -3.167 0.800 -15.437 1.00 0.00 N ATOM 0 H LYS A 45 -4.510 -0.702 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.461 -2.844 -10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.965 -0.398 -10.607 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.239 -0.099 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.084 -1.901 -12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.832 -1.813 -12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.818 0.412 -13.322 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.214 0.732 -12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.226 -0.782 -14.388 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.823 -1.165 -14.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.752 0.517 -16.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.127 1.168 -15.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.579 1.540 -15.003 1.00 0.00 H new ATOM 724 N ALA A 46 -1.416 -1.748 -9.446 1.00 0.00 N ATOM 725 CA ALA A 46 -0.006 -2.116 -9.477 1.00 0.00 C ATOM 726 C ALA A 46 0.267 -3.321 -8.583 1.00 0.00 C ATOM 727 O ALA A 46 1.047 -4.205 -8.937 1.00 0.00 O ATOM 728 CB ALA A 46 0.857 -0.937 -9.054 1.00 0.00 C ATOM 0 H ALA A 46 -1.608 -0.850 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 46 0.249 -2.390 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.907 -1.227 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.692 -0.103 -9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.590 -0.636 -8.041 1.00 0.00 H new ATOM 734 N TYR A 47 -0.381 -3.350 -7.424 1.00 0.00 N ATOM 735 CA TYR A 47 -0.205 -4.446 -6.478 1.00 0.00 C ATOM 736 C TYR A 47 -0.371 -5.795 -7.170 1.00 0.00 C ATOM 737 O TYR A 47 0.594 -6.541 -7.339 1.00 0.00 O ATOM 738 CB TYR A 47 -1.209 -4.322 -5.330 1.00 0.00 C ATOM 739 CG TYR A 47 -0.582 -4.449 -3.960 1.00 0.00 C ATOM 740 CD1 TYR A 47 0.428 -5.372 -3.720 1.00 0.00 C ATOM 741 CD2 TYR A 47 -0.999 -3.646 -2.906 1.00 0.00 C ATOM 742 CE1 TYR A 47 1.004 -5.492 -2.470 1.00 0.00 C ATOM 743 CE2 TYR A 47 -0.429 -3.758 -1.653 1.00 0.00 C ATOM 744 CZ TYR A 47 0.572 -4.683 -1.440 1.00 0.00 C ATOM 745 OH TYR A 47 1.144 -4.799 -0.193 1.00 0.00 O ATOM 0 H TYR A 47 -1.033 -2.628 -7.117 1.00 0.00 H new ATOM 0 HA TYR A 47 0.806 -4.387 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.713 -3.358 -5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.974 -5.090 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.769 -6.007 -4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.783 -2.921 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.788 -6.215 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.765 -3.125 -0.845 1.00 0.00 H new ATOM 0 HH TYR A 47 1.913 -4.195 -0.128 1.00 0.00 H new ATOM 755 N CYS A 48 -1.600 -6.101 -7.569 1.00 0.00 N ATOM 756 CA CYS A 48 -1.895 -7.360 -8.243 1.00 0.00 C ATOM 757 C CYS A 48 -0.951 -7.579 -9.421 1.00 0.00 C ATOM 758 O CYS A 48 -0.542 -8.706 -9.700 1.00 0.00 O ATOM 759 CB CYS A 48 -3.345 -7.377 -8.727 1.00 0.00 C ATOM 760 SG CYS A 48 -3.726 -8.723 -9.873 1.00 0.00 S ATOM 0 H CYS A 48 -2.409 -5.494 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.750 -8.169 -7.527 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.004 -7.453 -7.862 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.565 -6.427 -9.213 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.976 -8.654 -10.224 1.00 0.00 H new ATOM 766 N GLU A 49 -0.611 -6.495 -10.110 1.00 0.00 N ATOM 767 CA GLU A 49 0.283 -6.570 -11.260 1.00 0.00 C ATOM 768 C GLU A 49 1.558 -7.331 -10.909 1.00 0.00 C ATOM 769 O GLU A 49 2.126 -8.031 -11.748 1.00 0.00 O ATOM 770 CB GLU A 49 0.635 -5.165 -11.754 1.00 0.00 C ATOM 771 CG GLU A 49 0.862 -5.086 -13.254 1.00 0.00 C ATOM 772 CD GLU A 49 1.762 -3.931 -13.648 1.00 0.00 C ATOM 773 OE1 GLU A 49 2.998 -4.082 -13.555 1.00 0.00 O ATOM 774 OE2 GLU A 49 1.229 -2.874 -14.049 1.00 0.00 O ATOM 0 H GLU A 49 -0.941 -5.555 -9.892 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.234 -7.108 -12.055 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.168 -4.481 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.534 -4.823 -11.241 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.304 -6.020 -13.601 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.099 -4.981 -13.758 1.00 0.00 H new ATOM 781 N ARG A 50 2.002 -7.189 -9.665 1.00 0.00 N ATOM 782 CA ARG A 50 3.210 -7.862 -9.203 1.00 0.00 C ATOM 783 C ARG A 50 2.863 -9.075 -8.345 1.00 0.00 C ATOM 784 O ARG A 50 3.682 -9.976 -8.168 1.00 0.00 O ATOM 785 CB ARG A 50 4.085 -6.893 -8.405 1.00 0.00 C ATOM 786 CG ARG A 50 3.448 -6.425 -7.107 1.00 0.00 C ATOM 787 CD ARG A 50 4.488 -6.229 -6.015 1.00 0.00 C ATOM 788 NE ARG A 50 4.650 -4.822 -5.659 1.00 0.00 N ATOM 789 CZ ARG A 50 5.401 -3.971 -6.349 1.00 0.00 C ATOM 790 NH1 ARG A 50 6.055 -4.382 -7.427 1.00 0.00 N ATOM 791 NH2 ARG A 50 5.498 -2.706 -5.962 1.00 0.00 N ATOM 0 H ARG A 50 1.543 -6.614 -8.958 1.00 0.00 H new ATOM 0 HA ARG A 50 3.762 -8.204 -10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.036 -7.377 -8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.308 -6.024 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.917 -5.488 -7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.708 -7.155 -6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.196 -6.795 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.445 -6.631 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 50 4.160 -4.474 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.982 -5.354 -7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.631 -3.726 -7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.996 -2.386 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.075 -2.053 -6.492 1.00 0.00 H new ATOM 805 N GLN A 51 1.644 -9.089 -7.815 1.00 0.00 N ATOM 806 CA GLN A 51 1.190 -10.191 -6.975 1.00 0.00 C ATOM 807 C GLN A 51 -0.272 -10.522 -7.255 1.00 0.00 C ATOM 808 O GLN A 51 -1.135 -10.338 -6.397 1.00 0.00 O ATOM 809 CB GLN A 51 1.373 -9.843 -5.497 1.00 0.00 C ATOM 810 CG GLN A 51 0.741 -8.518 -5.102 1.00 0.00 C ATOM 811 CD GLN A 51 0.082 -8.570 -3.737 1.00 0.00 C ATOM 812 OE1 GLN A 51 -1.067 -8.159 -3.574 1.00 0.00 O ATOM 813 NE2 GLN A 51 0.808 -9.077 -2.748 1.00 0.00 N ATOM 0 H GLN A 51 0.954 -8.351 -7.952 1.00 0.00 H new ATOM 0 HA GLN A 51 1.794 -11.067 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.941 -10.638 -4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 51 2.438 -9.810 -5.269 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.505 -7.741 -5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.001 -8.237 -5.849 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.757 -9.406 -2.928 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.417 -9.138 -1.808 1.00 0.00 H new ATOM 822 N GLY A 52 -0.544 -11.010 -8.461 1.00 0.00 N ATOM 823 CA GLY A 52 -1.903 -11.357 -8.832 1.00 0.00 C ATOM 824 C GLY A 52 -2.232 -12.807 -8.536 1.00 0.00 C ATOM 825 O GLY A 52 -2.541 -13.580 -9.444 1.00 0.00 O ATOM 0 H GLY A 52 0.153 -11.171 -9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.599 -10.713 -8.295 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.047 -11.165 -9.895 1.00 0.00 H new ATOM 829 N LEU A 53 -2.165 -13.179 -7.262 1.00 0.00 N ATOM 830 CA LEU A 53 -2.457 -14.546 -6.847 1.00 0.00 C ATOM 831 C LEU A 53 -3.745 -14.605 -6.032 1.00 0.00 C ATOM 832 O LEU A 53 -4.372 -15.659 -5.918 1.00 0.00 O ATOM 833 CB LEU A 53 -1.295 -15.111 -6.028 1.00 0.00 C ATOM 834 CG LEU A 53 -0.549 -14.111 -5.144 1.00 0.00 C ATOM 835 CD1 LEU A 53 -1.453 -13.603 -4.032 1.00 0.00 C ATOM 836 CD2 LEU A 53 0.707 -14.746 -4.565 1.00 0.00 C ATOM 0 H LEU A 53 -1.911 -12.552 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.589 -15.151 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.678 -15.911 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.579 -15.564 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.253 -13.261 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.905 -12.893 -3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.323 -13.110 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.781 -14.442 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.226 -14.020 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.433 -15.613 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.363 -15.060 -5.377 1.00 0.00 H new ATOM 848 N SER A 54 -4.135 -13.467 -5.468 1.00 0.00 N ATOM 849 CA SER A 54 -5.347 -13.389 -4.662 1.00 0.00 C ATOM 850 C SER A 54 -5.902 -11.968 -4.651 1.00 0.00 C ATOM 851 O SER A 54 -5.693 -11.215 -3.699 1.00 0.00 O ATOM 852 CB SER A 54 -5.063 -13.849 -3.231 1.00 0.00 C ATOM 853 OG SER A 54 -3.970 -13.139 -2.674 1.00 0.00 O ATOM 0 H SER A 54 -3.629 -12.586 -5.554 1.00 0.00 H new ATOM 0 HA SER A 54 -6.093 -14.048 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.950 -13.699 -2.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.847 -14.917 -3.225 1.00 0.00 H new ATOM 0 HG SER A 54 -4.138 -12.176 -2.740 1.00 0.00 H new ATOM 859 N MET A 55 -6.610 -11.607 -5.716 1.00 0.00 N ATOM 860 CA MET A 55 -7.197 -10.277 -5.829 1.00 0.00 C ATOM 861 C MET A 55 -8.318 -10.089 -4.812 1.00 0.00 C ATOM 862 O MET A 55 -8.641 -8.963 -4.433 1.00 0.00 O ATOM 863 CB MET A 55 -7.733 -10.051 -7.244 1.00 0.00 C ATOM 864 CG MET A 55 -8.937 -10.915 -7.582 1.00 0.00 C ATOM 865 SD MET A 55 -9.366 -10.854 -9.333 1.00 0.00 S ATOM 866 CE MET A 55 -10.483 -9.455 -9.360 1.00 0.00 C ATOM 0 H MET A 55 -6.791 -12.217 -6.513 1.00 0.00 H new ATOM 0 HA MET A 55 -6.417 -9.544 -5.623 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.006 -9.002 -7.357 1.00 0.00 H new ATOM 0 HB3 MET A 55 -6.938 -10.253 -7.962 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.730 -11.947 -7.298 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.792 -10.587 -6.991 1.00 0.00 H new ATOM 0 HE1 MET A 55 -10.835 -9.290 -10.378 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.334 -9.656 -8.710 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.960 -8.565 -9.008 1.00 0.00 H new ATOM 876 N ARG A 56 -8.906 -11.197 -4.375 1.00 0.00 N ATOM 877 CA ARG A 56 -9.992 -11.153 -3.403 1.00 0.00 C ATOM 878 C ARG A 56 -9.456 -11.307 -1.982 1.00 0.00 C ATOM 879 O ARG A 56 -10.208 -11.606 -1.055 1.00 0.00 O ATOM 880 CB ARG A 56 -11.013 -12.254 -3.697 1.00 0.00 C ATOM 881 CG ARG A 56 -11.662 -12.132 -5.066 1.00 0.00 C ATOM 882 CD ARG A 56 -12.858 -13.062 -5.200 1.00 0.00 C ATOM 883 NE ARG A 56 -14.008 -12.588 -4.435 1.00 0.00 N ATOM 884 CZ ARG A 56 -15.220 -13.125 -4.522 1.00 0.00 C ATOM 885 NH1 ARG A 56 -15.438 -14.149 -5.336 1.00 0.00 N ATOM 886 NH2 ARG A 56 -16.217 -12.638 -3.794 1.00 0.00 N ATOM 0 H ARG A 56 -8.649 -12.136 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.481 -10.182 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.521 -13.224 -3.623 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.790 -12.231 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.980 -11.102 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.930 -12.365 -5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.133 -13.150 -6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.582 -14.060 -4.858 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.873 -11.802 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.674 -14.526 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.369 -14.560 -5.401 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.053 -11.850 -3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.147 -13.051 -3.862 1.00 0.00 H new ATOM 900 N GLN A 57 -8.153 -11.103 -1.821 1.00 0.00 N ATOM 901 CA GLN A 57 -7.518 -11.221 -0.514 1.00 0.00 C ATOM 902 C GLN A 57 -6.615 -10.023 -0.237 1.00 0.00 C ATOM 903 O GLN A 57 -5.660 -10.118 0.534 1.00 0.00 O ATOM 904 CB GLN A 57 -6.706 -12.515 -0.433 1.00 0.00 C ATOM 905 CG GLN A 57 -6.612 -13.087 0.973 1.00 0.00 C ATOM 906 CD GLN A 57 -6.493 -14.598 0.981 1.00 0.00 C ATOM 907 OE1 GLN A 57 -5.586 -15.164 0.369 1.00 0.00 O ATOM 908 NE2 GLN A 57 -7.409 -15.260 1.677 1.00 0.00 N ATOM 0 H GLN A 57 -7.517 -10.855 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.303 -11.244 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.157 -13.259 -1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.700 -12.327 -0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.749 -12.656 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.495 -12.793 1.541 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.143 -14.750 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.379 -16.279 1.720 1.00 0.00 H new ATOM 917 N ILE A 58 -6.924 -8.897 -0.872 1.00 0.00 N ATOM 918 CA ILE A 58 -6.141 -7.680 -0.693 1.00 0.00 C ATOM 919 C ILE A 58 -7.004 -6.546 -0.152 1.00 0.00 C ATOM 920 O ILE A 58 -8.016 -6.181 -0.751 1.00 0.00 O ATOM 921 CB ILE A 58 -5.491 -7.230 -2.014 1.00 0.00 C ATOM 922 CG1 ILE A 58 -4.574 -8.329 -2.557 1.00 0.00 C ATOM 923 CG2 ILE A 58 -4.714 -5.938 -1.809 1.00 0.00 C ATOM 924 CD1 ILE A 58 -3.393 -8.627 -1.661 1.00 0.00 C ATOM 0 H ILE A 58 -7.710 -8.802 -1.515 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.357 -7.912 0.028 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.278 -7.046 -2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.155 -9.241 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.208 -8.033 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.260 -5.633 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.391 -5.157 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.933 -6.097 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.787 -9.415 -2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.789 -7.727 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.750 -8.954 -0.685 1.00 0.00 H new ATOM 936 N ARG A 59 -6.597 -5.990 0.985 1.00 0.00 N ATOM 937 CA ARG A 59 -7.332 -4.896 1.607 1.00 0.00 C ATOM 938 C ARG A 59 -6.398 -4.008 2.424 1.00 0.00 C ATOM 939 O ARG A 59 -5.364 -4.462 2.914 1.00 0.00 O ATOM 940 CB ARG A 59 -8.444 -5.445 2.503 1.00 0.00 C ATOM 941 CG ARG A 59 -9.553 -6.148 1.737 1.00 0.00 C ATOM 942 CD ARG A 59 -10.307 -5.181 0.837 1.00 0.00 C ATOM 943 NE ARG A 59 -10.947 -4.111 1.598 1.00 0.00 N ATOM 944 CZ ARG A 59 -11.902 -3.330 1.106 1.00 0.00 C ATOM 945 NH1 ARG A 59 -12.326 -3.498 -0.139 1.00 0.00 N ATOM 946 NH2 ARG A 59 -12.435 -2.377 1.860 1.00 0.00 N ATOM 0 H ARG A 59 -5.762 -6.280 1.494 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.777 -4.294 0.815 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.010 -6.143 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -8.874 -4.625 3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.128 -6.951 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.247 -6.609 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.618 -4.748 0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -11.063 -5.726 0.272 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.644 -3.955 2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -11.919 -4.229 -0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.060 -2.896 -0.513 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.111 -2.244 2.818 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.168 -1.778 1.481 1.00 0.00 H new ATOM 960 N PHE A 60 -6.769 -2.740 2.565 1.00 0.00 N ATOM 961 CA PHE A 60 -5.964 -1.787 3.321 1.00 0.00 C ATOM 962 C PHE A 60 -6.654 -1.408 4.627 1.00 0.00 C ATOM 963 O PHE A 60 -7.747 -0.841 4.623 1.00 0.00 O ATOM 964 CB PHE A 60 -5.703 -0.532 2.485 1.00 0.00 C ATOM 965 CG PHE A 60 -4.530 -0.663 1.557 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.240 -0.736 2.056 1.00 0.00 C ATOM 967 CD2 PHE A 60 -4.718 -0.712 0.185 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.158 -0.857 1.204 1.00 0.00 C ATOM 969 CE2 PHE A 60 -3.640 -0.833 -0.672 1.00 0.00 C ATOM 970 CZ PHE A 60 -2.358 -0.904 -0.162 1.00 0.00 C ATOM 0 H PHE A 60 -7.622 -2.348 2.166 1.00 0.00 H new ATOM 0 HA PHE A 60 -5.012 -2.261 3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.594 -0.302 1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.534 0.312 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.078 -0.698 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.718 -0.655 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.157 -0.915 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.800 -0.872 -1.739 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.514 -0.996 -0.830 1.00 0.00 H new ATOM 980 N ARG A 61 -6.008 -1.725 5.745 1.00 0.00 N ATOM 981 CA ARG A 61 -6.560 -1.420 7.059 1.00 0.00 C ATOM 982 C ARG A 61 -5.446 -1.194 8.077 1.00 0.00 C ATOM 983 O ARG A 61 -4.440 -1.904 8.080 1.00 0.00 O ATOM 984 CB ARG A 61 -7.472 -2.554 7.529 1.00 0.00 C ATOM 985 CG ARG A 61 -8.629 -2.836 6.584 1.00 0.00 C ATOM 986 CD ARG A 61 -9.663 -3.749 7.226 1.00 0.00 C ATOM 987 NE ARG A 61 -10.409 -4.515 6.232 1.00 0.00 N ATOM 988 CZ ARG A 61 -11.505 -5.212 6.512 1.00 0.00 C ATOM 989 NH1 ARG A 61 -11.980 -5.238 7.749 1.00 0.00 N ATOM 990 NH2 ARG A 61 -12.128 -5.884 5.552 1.00 0.00 N ATOM 0 H ARG A 61 -5.102 -2.193 5.766 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.145 -0.504 6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.879 -3.461 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.870 -2.305 8.513 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.101 -1.897 6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.251 -3.297 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.165 -4.434 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.356 -3.152 7.818 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.070 -4.515 5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.504 -4.722 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.822 -5.774 7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.765 -5.866 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.969 -6.419 5.767 1.00 0.00 H new ATOM 1004 N PHE A 62 -5.633 -0.201 8.940 1.00 0.00 N ATOM 1005 CA PHE A 62 -4.643 0.120 9.962 1.00 0.00 C ATOM 1006 C PHE A 62 -5.216 -0.094 11.360 1.00 0.00 C ATOM 1007 O PHE A 62 -6.394 -0.418 11.517 1.00 0.00 O ATOM 1008 CB PHE A 62 -4.171 1.567 9.809 1.00 0.00 C ATOM 1009 CG PHE A 62 -5.272 2.521 9.444 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -5.623 2.720 8.119 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -5.954 3.220 10.426 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -6.636 3.598 7.779 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -6.968 4.098 10.093 1.00 0.00 C ATOM 1014 CZ PHE A 62 -7.309 4.288 8.768 1.00 0.00 C ATOM 0 H PHE A 62 -6.461 0.395 8.952 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.792 -0.548 9.830 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.714 1.892 10.744 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.396 1.609 9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.099 2.183 7.342 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.690 3.077 11.464 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.900 3.744 6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.494 4.635 10.868 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.100 4.975 8.506 1.00 0.00 H new ATOM 1024 N ASP A 63 -4.375 0.087 12.372 1.00 0.00 N ATOM 1025 CA ASP A 63 -4.796 -0.085 13.757 1.00 0.00 C ATOM 1026 C ASP A 63 -5.654 1.091 14.215 1.00 0.00 C ATOM 1027 O ASP A 63 -5.266 1.844 15.107 1.00 0.00 O ATOM 1028 CB ASP A 63 -3.577 -0.229 14.670 1.00 0.00 C ATOM 1029 CG ASP A 63 -3.947 -0.712 16.058 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -4.415 -1.864 16.181 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -3.767 0.060 17.022 1.00 0.00 O ATOM 0 H ASP A 63 -3.397 0.353 12.259 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.395 -0.994 13.818 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.871 -0.928 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.068 0.732 14.747 1.00 0.00 H new ATOM 1036 N GLY A 64 -6.821 1.242 13.596 1.00 0.00 N ATOM 1037 CA GLY A 64 -7.714 2.329 13.953 1.00 0.00 C ATOM 1038 C GLY A 64 -9.057 2.228 13.257 1.00 0.00 C ATOM 1039 O GLY A 64 -10.093 2.533 13.847 1.00 0.00 O ATOM 0 H GLY A 64 -7.164 0.631 12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.867 2.330 15.032 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.246 3.279 13.696 1.00 0.00 H new ATOM 1043 N GLN A 65 -9.039 1.800 11.999 1.00 0.00 N ATOM 1044 CA GLN A 65 -10.265 1.662 11.222 1.00 0.00 C ATOM 1045 C GLN A 65 -9.963 1.162 9.813 1.00 0.00 C ATOM 1046 O GLN A 65 -8.851 1.300 9.304 1.00 0.00 O ATOM 1047 CB GLN A 65 -11.004 3.000 11.154 1.00 0.00 C ATOM 1048 CG GLN A 65 -10.084 4.192 10.946 1.00 0.00 C ATOM 1049 CD GLN A 65 -10.830 5.512 10.955 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -11.341 5.957 9.927 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -10.896 6.147 12.119 1.00 0.00 N ATOM 0 H GLN A 65 -8.190 1.543 11.496 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.900 0.929 11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.729 2.965 10.341 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.567 3.142 12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.326 4.202 11.729 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.560 4.081 9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.458 5.742 12.946 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.385 7.040 12.186 1.00 0.00 H new ATOM 1060 N PRO A 66 -10.976 0.566 9.166 1.00 0.00 N ATOM 1061 CA PRO A 66 -10.843 0.033 7.807 1.00 0.00 C ATOM 1062 C PRO A 66 -10.697 1.136 6.764 1.00 0.00 C ATOM 1063 O PRO A 66 -10.588 2.314 7.104 1.00 0.00 O ATOM 1064 CB PRO A 66 -12.152 -0.732 7.597 1.00 0.00 C ATOM 1065 CG PRO A 66 -13.125 -0.079 8.517 1.00 0.00 C ATOM 1066 CD PRO A 66 -12.329 0.367 9.712 1.00 0.00 C ATOM 0 HA PRO A 66 -9.951 -0.583 7.696 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -12.484 -0.670 6.561 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.034 -1.790 7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.611 0.768 8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -13.912 -0.774 8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -12.729 1.286 10.141 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -12.337 -0.383 10.503 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.697 0.746 5.494 1.00 0.00 N ATOM 1075 CA ILE A 67 -10.566 1.703 4.402 1.00 0.00 C ATOM 1076 C ILE A 67 -11.469 1.328 3.232 1.00 0.00 C ATOM 1077 O ILE A 67 -11.730 0.150 2.988 1.00 0.00 O ATOM 1078 CB ILE A 67 -9.112 1.793 3.904 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.158 1.992 5.084 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -8.965 2.927 2.901 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -6.702 2.061 4.679 1.00 0.00 C ATOM 0 H ILE A 67 -10.786 -0.225 5.196 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.868 2.674 4.795 1.00 0.00 H new ATOM 0 HB ILE A 67 -8.855 0.858 3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.425 2.911 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -8.292 1.173 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.932 2.978 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.621 2.747 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.237 3.870 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.084 2.203 5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.418 1.133 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.554 2.897 3.996 1.00 0.00 H new ATOM 1093 N ASN A 68 -11.942 2.338 2.509 1.00 0.00 N ATOM 1094 CA ASN A 68 -12.816 2.115 1.363 1.00 0.00 C ATOM 1095 C ASN A 68 -12.002 1.960 0.081 1.00 0.00 C ATOM 1096 O ASN A 68 -10.777 1.849 0.122 1.00 0.00 O ATOM 1097 CB ASN A 68 -13.805 3.273 1.215 1.00 0.00 C ATOM 1098 CG ASN A 68 -14.258 3.820 2.555 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -14.589 3.063 3.468 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -14.276 5.142 2.679 1.00 0.00 N ATOM 0 H ASN A 68 -11.735 3.319 2.696 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.371 1.193 1.535 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.341 4.072 0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.674 2.935 0.651 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.573 5.568 3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.993 5.732 1.896 1.00 0.00 H new ATOM 1107 N GLU A 69 -12.693 1.954 -1.055 1.00 0.00 N ATOM 1108 CA GLU A 69 -12.034 1.812 -2.348 1.00 0.00 C ATOM 1109 C GLU A 69 -11.872 3.169 -3.027 1.00 0.00 C ATOM 1110 O GLU A 69 -10.997 3.352 -3.875 1.00 0.00 O ATOM 1111 CB GLU A 69 -12.832 0.869 -3.251 1.00 0.00 C ATOM 1112 CG GLU A 69 -14.145 1.459 -3.738 1.00 0.00 C ATOM 1113 CD GLU A 69 -15.039 0.427 -4.398 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -14.874 0.189 -5.612 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -15.903 -0.142 -3.699 1.00 0.00 O ATOM 0 H GLU A 69 -13.708 2.046 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.044 1.389 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.221 0.602 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.037 -0.054 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.673 1.906 -2.896 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.938 2.261 -4.446 1.00 0.00 H new ATOM 1122 N THR A 70 -12.721 4.119 -2.649 1.00 0.00 N ATOM 1123 CA THR A 70 -12.674 5.459 -3.221 1.00 0.00 C ATOM 1124 C THR A 70 -12.315 6.496 -2.164 1.00 0.00 C ATOM 1125 O THR A 70 -12.851 7.604 -2.160 1.00 0.00 O ATOM 1126 CB THR A 70 -14.020 5.842 -3.864 1.00 0.00 C ATOM 1127 OG1 THR A 70 -13.914 7.122 -4.497 1.00 0.00 O ATOM 1128 CG2 THR A 70 -15.127 5.877 -2.822 1.00 0.00 C ATOM 0 H THR A 70 -13.450 3.985 -1.948 1.00 0.00 H new ATOM 0 HA THR A 70 -11.902 5.447 -3.991 1.00 0.00 H new ATOM 0 HB THR A 70 -14.269 5.087 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.613 7.787 -3.843 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.068 6.150 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.225 4.894 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.882 6.613 -2.056 1.00 0.00 H new ATOM 1136 N ASP A 71 -11.404 6.131 -1.268 1.00 0.00 N ATOM 1137 CA ASP A 71 -10.972 7.031 -0.206 1.00 0.00 C ATOM 1138 C ASP A 71 -9.569 7.562 -0.481 1.00 0.00 C ATOM 1139 O ASP A 71 -8.896 7.118 -1.412 1.00 0.00 O ATOM 1140 CB ASP A 71 -11.003 6.314 1.144 1.00 0.00 C ATOM 1141 CG ASP A 71 -11.286 7.259 2.296 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -12.101 8.187 2.114 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -10.691 7.071 3.378 1.00 0.00 O ATOM 0 H ASP A 71 -10.951 5.217 -1.257 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.661 7.875 -0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.765 5.535 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.047 5.819 1.311 1.00 0.00 H new ATOM 1148 N THR A 72 -9.132 8.518 0.334 1.00 0.00 N ATOM 1149 CA THR A 72 -7.811 9.111 0.177 1.00 0.00 C ATOM 1150 C THR A 72 -7.165 9.382 1.531 1.00 0.00 C ATOM 1151 O THR A 72 -7.837 9.474 2.559 1.00 0.00 O ATOM 1152 CB THR A 72 -7.877 10.428 -0.620 1.00 0.00 C ATOM 1153 OG1 THR A 72 -9.106 11.109 -0.340 1.00 0.00 O ATOM 1154 CG2 THR A 72 -7.768 10.163 -2.114 1.00 0.00 C ATOM 0 H THR A 72 -9.675 8.897 1.110 1.00 0.00 H new ATOM 0 HA THR A 72 -7.206 8.391 -0.374 1.00 0.00 H new ATOM 0 HB THR A 72 -7.038 11.053 -0.316 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.140 11.946 -0.849 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.817 11.108 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.819 9.671 -2.328 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.590 9.520 -2.430 1.00 0.00 H new ATOM 1162 N PRO A 73 -5.830 9.513 1.535 1.00 0.00 N ATOM 1163 CA PRO A 73 -5.065 9.777 2.758 1.00 0.00 C ATOM 1164 C PRO A 73 -5.303 11.182 3.299 1.00 0.00 C ATOM 1165 O PRO A 73 -4.905 11.502 4.419 1.00 0.00 O ATOM 1166 CB PRO A 73 -3.611 9.617 2.307 1.00 0.00 C ATOM 1167 CG PRO A 73 -3.633 9.905 0.845 1.00 0.00 C ATOM 1168 CD PRO A 73 -4.966 9.416 0.348 1.00 0.00 C ATOM 0 HA PRO A 73 -5.351 9.108 3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.954 10.307 2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.243 8.611 2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.513 10.972 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.815 9.396 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.339 10.030 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.906 8.393 -0.022 1.00 0.00 H new ATOM 1176 N ALA A 74 -5.956 12.018 2.498 1.00 0.00 N ATOM 1177 CA ALA A 74 -6.249 13.388 2.898 1.00 0.00 C ATOM 1178 C ALA A 74 -7.279 13.423 4.022 1.00 0.00 C ATOM 1179 O ALA A 74 -7.194 14.252 4.928 1.00 0.00 O ATOM 1180 CB ALA A 74 -6.740 14.193 1.704 1.00 0.00 C ATOM 0 H ALA A 74 -6.292 11.770 1.568 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.328 13.837 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.955 15.215 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.971 14.205 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.647 13.737 1.306 1.00 0.00 H new ATOM 1186 N GLN A 75 -8.251 12.519 3.956 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.298 12.448 4.968 1.00 0.00 C ATOM 1188 C GLN A 75 -9.172 11.172 5.793 1.00 0.00 C ATOM 1189 O GLN A 75 -10.118 10.759 6.465 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.678 12.510 4.309 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.044 13.891 3.792 1.00 0.00 C ATOM 1192 CD GLN A 75 -12.438 13.941 3.197 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.891 12.986 2.566 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -13.127 15.059 3.396 1.00 0.00 N ATOM 0 H GLN A 75 -8.335 11.826 3.213 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.183 13.302 5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.708 11.802 3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.430 12.190 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.975 14.610 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.320 14.196 3.037 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.713 15.826 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.071 15.150 3.020 1.00 0.00 H new ATOM 1203 N LEU A 76 -7.999 10.552 5.739 1.00 0.00 N ATOM 1204 CA LEU A 76 -7.749 9.322 6.482 1.00 0.00 C ATOM 1205 C LEU A 76 -6.654 9.528 7.524 1.00 0.00 C ATOM 1206 O LEU A 76 -6.568 8.787 8.502 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.352 8.196 5.525 1.00 0.00 C ATOM 1208 CG LEU A 76 -7.634 6.773 6.009 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.118 6.588 6.287 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -7.151 5.756 4.985 1.00 0.00 C ATOM 0 H LEU A 76 -7.206 10.881 5.188 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.669 9.045 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.875 8.348 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.286 8.283 5.316 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.088 6.611 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.300 5.570 6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.435 7.292 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.685 6.769 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.360 4.749 5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.669 5.917 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.078 5.872 4.835 1.00 0.00 H new ATOM 1222 N GLU A 77 -5.821 10.541 7.307 1.00 0.00 N ATOM 1223 CA GLU A 77 -4.732 10.845 8.228 1.00 0.00 C ATOM 1224 C GLU A 77 -3.730 9.696 8.284 1.00 0.00 C ATOM 1225 O GLU A 77 -3.294 9.290 9.361 1.00 0.00 O ATOM 1226 CB GLU A 77 -5.283 11.124 9.629 1.00 0.00 C ATOM 1227 CG GLU A 77 -6.435 12.114 9.644 1.00 0.00 C ATOM 1228 CD GLU A 77 -6.466 12.955 10.905 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -5.822 14.025 10.920 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -7.132 12.543 11.877 1.00 0.00 O ATOM 0 H GLU A 77 -5.879 11.165 6.502 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.219 11.734 7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.616 10.186 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.478 11.506 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.357 12.769 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.376 11.572 9.550 1.00 0.00 H new ATOM 1237 N MET A 78 -3.368 9.177 7.115 1.00 0.00 N ATOM 1238 CA MET A 78 -2.416 8.076 7.030 1.00 0.00 C ATOM 1239 C MET A 78 -1.090 8.547 6.442 1.00 0.00 C ATOM 1240 O MET A 78 -0.626 8.018 5.432 1.00 0.00 O ATOM 1241 CB MET A 78 -2.991 6.942 6.179 1.00 0.00 C ATOM 1242 CG MET A 78 -3.432 7.385 4.793 1.00 0.00 C ATOM 1243 SD MET A 78 -3.595 6.008 3.642 1.00 0.00 S ATOM 1244 CE MET A 78 -5.013 6.534 2.682 1.00 0.00 C ATOM 0 H MET A 78 -3.720 9.501 6.214 1.00 0.00 H new ATOM 0 HA MET A 78 -2.234 7.707 8.039 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.241 6.158 6.079 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.843 6.504 6.700 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.387 7.905 4.869 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.710 8.100 4.398 1.00 0.00 H new ATOM 0 HE1 MET A 78 -5.599 5.662 2.391 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.631 7.202 3.282 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.673 7.058 1.789 1.00 0.00 H new ATOM 1254 N GLU A 79 -0.486 9.545 7.080 1.00 0.00 N ATOM 1255 CA GLU A 79 0.786 10.087 6.618 1.00 0.00 C ATOM 1256 C GLU A 79 1.835 10.033 7.725 1.00 0.00 C ATOM 1257 O GLU A 79 1.639 9.378 8.749 1.00 0.00 O ATOM 1258 CB GLU A 79 0.607 11.530 6.140 1.00 0.00 C ATOM 1259 CG GLU A 79 -0.778 11.821 5.587 1.00 0.00 C ATOM 1260 CD GLU A 79 -0.923 13.249 5.099 1.00 0.00 C ATOM 1261 OE1 GLU A 79 0.020 14.043 5.302 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -1.978 13.573 4.515 1.00 0.00 O ATOM 0 H GLU A 79 -0.857 9.994 7.917 1.00 0.00 H new ATOM 0 HA GLU A 79 1.131 9.475 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.807 12.206 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.349 11.743 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.988 11.137 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.522 11.628 6.360 1.00 0.00 H new ATOM 1269 N ASP A 80 2.949 10.724 7.510 1.00 0.00 N ATOM 1270 CA ASP A 80 4.029 10.755 8.489 1.00 0.00 C ATOM 1271 C ASP A 80 4.614 9.362 8.698 1.00 0.00 C ATOM 1272 O ASP A 80 4.824 8.930 9.831 1.00 0.00 O ATOM 1273 CB ASP A 80 3.525 11.315 9.820 1.00 0.00 C ATOM 1274 CG ASP A 80 4.626 11.974 10.626 1.00 0.00 C ATOM 1275 OD1 ASP A 80 5.677 12.305 10.037 1.00 0.00 O ATOM 1276 OD2 ASP A 80 4.438 12.160 11.847 1.00 0.00 O ATOM 0 H ASP A 80 3.128 11.270 6.667 1.00 0.00 H new ATOM 0 HA ASP A 80 4.815 11.405 8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.735 12.041 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.083 10.509 10.406 1.00 0.00 H new ATOM 1281 N GLU A 81 4.874 8.664 7.596 1.00 0.00 N ATOM 1282 CA GLU A 81 5.433 7.318 7.660 1.00 0.00 C ATOM 1283 C GLU A 81 4.463 6.358 8.342 1.00 0.00 C ATOM 1284 O GLU A 81 4.855 5.570 9.202 1.00 0.00 O ATOM 1285 CB GLU A 81 6.767 7.331 8.410 1.00 0.00 C ATOM 1286 CG GLU A 81 7.707 8.437 7.960 1.00 0.00 C ATOM 1287 CD GLU A 81 9.036 8.404 8.689 1.00 0.00 C ATOM 1288 OE1 GLU A 81 9.038 8.571 9.927 1.00 0.00 O ATOM 1289 OE2 GLU A 81 10.075 8.211 8.022 1.00 0.00 O ATOM 0 H GLU A 81 4.707 9.008 6.650 1.00 0.00 H new ATOM 0 HA GLU A 81 5.601 6.973 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.573 7.442 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.260 6.369 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.882 8.346 6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.230 9.403 8.124 1.00 0.00 H new ATOM 1296 N ASP A 82 3.195 6.431 7.951 1.00 0.00 N ATOM 1297 CA ASP A 82 2.168 5.568 8.523 1.00 0.00 C ATOM 1298 C ASP A 82 2.231 4.170 7.915 1.00 0.00 C ATOM 1299 O ASP A 82 2.162 4.008 6.696 1.00 0.00 O ATOM 1300 CB ASP A 82 0.781 6.173 8.300 1.00 0.00 C ATOM 1301 CG ASP A 82 -0.316 5.371 8.972 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -0.091 4.889 10.102 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -1.399 5.223 8.368 1.00 0.00 O ATOM 0 H ASP A 82 2.854 7.079 7.241 1.00 0.00 H new ATOM 0 HA ASP A 82 2.352 5.487 9.594 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.767 7.193 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.581 6.231 7.230 1.00 0.00 H new ATOM 1308 N THR A 83 2.364 3.163 8.772 1.00 0.00 N ATOM 1309 CA THR A 83 2.439 1.779 8.319 1.00 0.00 C ATOM 1310 C THR A 83 1.071 1.108 8.373 1.00 0.00 C ATOM 1311 O THR A 83 0.588 0.747 9.447 1.00 0.00 O ATOM 1312 CB THR A 83 3.432 0.964 9.168 1.00 0.00 C ATOM 1313 OG1 THR A 83 4.696 1.635 9.223 1.00 0.00 O ATOM 1314 CG2 THR A 83 3.618 -0.432 8.591 1.00 0.00 C ATOM 0 H THR A 83 2.422 3.279 9.784 1.00 0.00 H new ATOM 0 HA THR A 83 2.788 1.802 7.287 1.00 0.00 H new ATOM 0 HB THR A 83 3.026 0.873 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.321 1.111 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.324 -0.989 9.207 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.659 -0.951 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.004 -0.357 7.575 1.00 0.00 H new ATOM 1322 N ILE A 84 0.452 0.944 7.209 1.00 0.00 N ATOM 1323 CA ILE A 84 -0.860 0.314 7.125 1.00 0.00 C ATOM 1324 C ILE A 84 -0.735 -1.195 6.946 1.00 0.00 C ATOM 1325 O ILE A 84 -0.019 -1.669 6.064 1.00 0.00 O ATOM 1326 CB ILE A 84 -1.688 0.891 5.961 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -1.848 2.404 6.121 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -3.048 0.213 5.892 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -2.620 3.052 4.993 1.00 0.00 C ATOM 0 H ILE A 84 0.837 1.238 6.312 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.372 0.525 8.064 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.160 0.698 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.356 2.610 7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.860 2.861 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.621 0.631 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.913 -0.857 5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.585 0.379 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.695 4.125 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.102 2.877 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.620 2.622 4.943 1.00 0.00 H new ATOM 1341 N ASP A 85 -1.438 -1.945 7.788 1.00 0.00 N ATOM 1342 CA ASP A 85 -1.408 -3.402 7.722 1.00 0.00 C ATOM 1343 C ASP A 85 -2.195 -3.907 6.516 1.00 0.00 C ATOM 1344 O ASP A 85 -3.336 -3.504 6.294 1.00 0.00 O ATOM 1345 CB ASP A 85 -1.978 -4.004 9.007 1.00 0.00 C ATOM 1346 CG ASP A 85 -0.915 -4.222 10.066 1.00 0.00 C ATOM 1347 OD1 ASP A 85 0.214 -4.613 9.701 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -1.211 -4.000 11.258 1.00 0.00 O ATOM 0 H ASP A 85 -2.035 -1.568 8.524 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.370 -3.715 7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.750 -3.344 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.458 -4.955 8.777 1.00 0.00 H new ATOM 1353 N VAL A 86 -1.575 -4.791 5.740 1.00 0.00 N ATOM 1354 CA VAL A 86 -2.217 -5.352 4.557 1.00 0.00 C ATOM 1355 C VAL A 86 -2.493 -6.840 4.735 1.00 0.00 C ATOM 1356 O VAL A 86 -1.785 -7.531 5.469 1.00 0.00 O ATOM 1357 CB VAL A 86 -1.352 -5.147 3.300 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.270 -6.214 3.216 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.219 -5.157 2.050 1.00 0.00 C ATOM 0 H VAL A 86 -0.629 -5.134 5.909 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.162 -4.824 4.429 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.865 -4.174 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.331 -6.053 2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.368 -6.155 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.734 -7.199 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.592 -5.011 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.735 -6.114 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.953 -4.353 2.110 1.00 0.00 H new ATOM 1369 N PHE A 87 -3.526 -7.330 4.058 1.00 0.00 N ATOM 1370 CA PHE A 87 -3.897 -8.738 4.141 1.00 0.00 C ATOM 1371 C PHE A 87 -3.263 -9.535 3.005 1.00 0.00 C ATOM 1372 O PHE A 87 -3.556 -9.303 1.832 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.418 -8.890 4.099 1.00 0.00 C ATOM 1374 CG PHE A 87 -5.906 -10.198 4.655 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.854 -11.353 3.891 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -6.415 -10.272 5.941 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -6.303 -12.557 4.400 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -6.864 -11.474 6.456 1.00 0.00 C ATOM 1379 CZ PHE A 87 -6.807 -12.618 5.684 1.00 0.00 C ATOM 0 H PHE A 87 -4.121 -6.773 3.445 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.526 -9.130 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.872 -8.074 4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.756 -8.794 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.458 -11.312 2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.462 -9.380 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.260 -13.450 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.259 -11.518 7.460 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.156 -13.559 6.084 1.00 0.00 H new