USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 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 92 ASN : amide:sc= -2.24 K(o=-3.1,f=-14!) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.83 X(o=-3.1,f=-3.2) USER MOD Set 2.1: A 40 THR OG1 : rot -153:sc= 0.456 USER MOD Set 2.2: A 51 TYR OH : rot -165:sc= -0.429 USER MOD Set 2.3: A 71 HIS : no HD1:sc= 0.454 K(o=0.48,f=-3.6!) USER MOD Set 3.1: A 50 ASN : amide:sc= -0.0145 X(o=-0.014,f=-0.37) USER MOD Set 3.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= -0.182 USER MOD Set 4.2: A 64 GLN : amide:sc= -0.186 K(o=-0.37,f=-0.92) USER MOD Set 5.1: A 54 TYR OH : rot 180:sc= -0.185 USER MOD Set 5.2: A 91 TYR OH : rot 31:sc= 0.614 USER MOD Set 6.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.678 K(o=-0.68,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.256 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.83! X(o=-1.8!,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ -117:sc= -0.93 (180deg=-4.41!) USER MOD Single : A 56 MET CE :methyl 162:sc= -0.0297 (180deg=-0.367) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0191) USER MOD Single : A 60 THR OG1 : rot 96:sc= 0.42 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -13:sc= 0.977 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 63:sc= 0.0043 USER MOD Single : A 84 TYR OH : rot -30:sc= -0.809 USER MOD Single : A 85 SER OG : rot 180:sc= -1.03 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -100:sc= -0.597 USER MOD Single : A 100 THR OG1 : rot -87:sc= 1.78 USER MOD Single : A 107 THR OG1 : rot 172:sc= 0.449 USER MOD Single : A 109 SER OG : rot 10:sc= 0.84 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.532 1.442 -11.710 1.00 0.00 N ATOM 215 CA LEU A 17 13.198 1.460 -11.119 1.00 0.00 C ATOM 216 C LEU A 17 13.036 2.647 -10.176 1.00 0.00 C ATOM 217 O LEU A 17 14.010 3.227 -9.695 1.00 0.00 O ATOM 218 CB LEU A 17 12.937 0.155 -10.365 1.00 0.00 C ATOM 219 CG LEU A 17 12.414 -1.012 -11.203 1.00 0.00 C ATOM 220 CD1 LEU A 17 11.050 -0.681 -11.787 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.400 -1.357 -12.309 1.00 0.00 C ATOM 0 HA LEU A 17 12.471 1.559 -11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.865 -0.156 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.219 0.356 -9.570 1.00 0.00 H new ATOM 0 HG LEU A 17 12.307 -1.881 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.694 -1.523 -12.380 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.346 -0.483 -10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.130 0.201 -12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.012 -2.190 -12.896 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.539 -0.491 -12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.357 -1.638 -11.869 1.00 0.00 H new ATOM 233 N PRO A 18 11.777 3.018 -9.902 1.00 0.00 N ATOM 234 CA PRO A 18 11.457 4.138 -9.012 1.00 0.00 C ATOM 235 C PRO A 18 11.788 3.833 -7.555 1.00 0.00 C ATOM 236 O PRO A 18 12.182 2.718 -7.218 1.00 0.00 O ATOM 237 CB PRO A 18 9.947 4.314 -9.192 1.00 0.00 C ATOM 238 CG PRO A 18 9.458 2.975 -9.623 1.00 0.00 C ATOM 239 CD PRO A 18 10.568 2.372 -10.440 1.00 0.00 C ATOM 0 HA PRO A 18 12.036 5.029 -9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.472 4.629 -8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.724 5.076 -9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.223 2.350 -8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.545 3.064 -10.211 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.607 1.289 -10.327 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.442 2.577 -11.503 1.00 0.00 H new ATOM 247 N GLY A 19 11.625 4.834 -6.694 1.00 0.00 N ATOM 248 CA GLY A 19 11.911 4.652 -5.283 1.00 0.00 C ATOM 249 C GLY A 19 10.654 4.463 -4.457 1.00 0.00 C ATOM 250 O GLY A 19 9.535 4.639 -4.940 1.00 0.00 O ATOM 0 H GLY A 19 11.300 5.767 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.560 3.785 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.459 5.518 -4.912 1.00 0.00 H new ATOM 254 N PRO A 20 10.831 4.094 -3.179 1.00 0.00 N ATOM 255 CA PRO A 20 9.713 3.872 -2.257 1.00 0.00 C ATOM 256 C PRO A 20 9.001 5.169 -1.887 1.00 0.00 C ATOM 257 O PRO A 20 9.569 6.031 -1.217 1.00 0.00 O ATOM 258 CB PRO A 20 10.386 3.261 -1.025 1.00 0.00 C ATOM 259 CG PRO A 20 11.791 3.753 -1.077 1.00 0.00 C ATOM 260 CD PRO A 20 12.136 3.867 -2.536 1.00 0.00 C ATOM 0 HA PRO A 20 8.941 3.240 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.890 3.575 -0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.347 2.172 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.886 4.717 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.465 3.063 -0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.825 4.691 -2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.615 2.961 -2.908 1.00 0.00 H new ATOM 268 N ALA A 21 7.754 5.300 -2.327 1.00 0.00 N ATOM 269 CA ALA A 21 6.963 6.490 -2.040 1.00 0.00 C ATOM 270 C ALA A 21 7.137 6.927 -0.589 1.00 0.00 C ATOM 271 O ALA A 21 6.703 6.250 0.344 1.00 0.00 O ATOM 272 CB ALA A 21 5.495 6.235 -2.344 1.00 0.00 C ATOM 0 H ALA A 21 7.270 4.596 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 21 7.320 7.296 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.917 7.133 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.381 5.978 -3.397 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.134 5.411 -1.728 1.00 0.00 H new ATOM 278 N PRO A 22 7.785 8.084 -0.392 1.00 0.00 N ATOM 279 CA PRO A 22 8.031 8.637 0.944 1.00 0.00 C ATOM 280 C PRO A 22 6.751 9.127 1.612 1.00 0.00 C ATOM 281 O PRO A 22 5.655 8.943 1.085 1.00 0.00 O ATOM 282 CB PRO A 22 8.977 9.809 0.674 1.00 0.00 C ATOM 283 CG PRO A 22 8.693 10.209 -0.733 1.00 0.00 C ATOM 284 CD PRO A 22 8.329 8.943 -1.457 1.00 0.00 C ATOM 0 HA PRO A 22 8.440 7.891 1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.794 10.633 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.019 9.514 0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.878 10.932 -0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.563 10.682 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.594 9.126 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.198 8.489 -1.934 1.00 0.00 H new ATOM 292 N ASN A 23 6.899 9.752 2.776 1.00 0.00 N ATOM 293 CA ASN A 23 5.754 10.270 3.516 1.00 0.00 C ATOM 294 C ASN A 23 4.537 9.367 3.336 1.00 0.00 C ATOM 295 O ASN A 23 3.453 9.833 2.982 1.00 0.00 O ATOM 296 CB ASN A 23 5.422 11.691 3.056 1.00 0.00 C ATOM 297 CG ASN A 23 6.161 12.745 3.858 1.00 0.00 C ATOM 298 OD1 ASN A 23 5.605 13.793 4.186 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.421 12.471 4.176 1.00 0.00 N ATOM 0 H ASN A 23 7.800 9.912 3.227 1.00 0.00 H new ATOM 0 HA ASN A 23 6.016 10.291 4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.675 11.797 2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.348 11.857 3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.969 13.143 4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.841 11.589 3.883 1.00 0.00 H new ATOM 306 N LEU A 24 4.724 8.076 3.582 1.00 0.00 N ATOM 307 CA LEU A 24 3.641 7.107 3.448 1.00 0.00 C ATOM 308 C LEU A 24 2.802 7.048 4.720 1.00 0.00 C ATOM 309 O LEU A 24 3.217 6.468 5.723 1.00 0.00 O ATOM 310 CB LEU A 24 4.206 5.721 3.132 1.00 0.00 C ATOM 311 CG LEU A 24 3.195 4.575 3.099 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.382 4.617 1.814 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.902 3.235 3.241 1.00 0.00 C ATOM 0 H LEU A 24 5.615 7.675 3.875 1.00 0.00 H new ATOM 0 HA LEU A 24 3.000 7.428 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.705 5.766 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.969 5.484 3.873 1.00 0.00 H new ATOM 0 HG LEU A 24 2.513 4.694 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.668 3.794 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.845 5.564 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.050 4.524 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.166 2.431 3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.608 3.107 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.439 3.206 4.189 1.00 0.00 H new ATOM 325 N ARG A 25 1.618 7.651 4.670 1.00 0.00 N ATOM 326 CA ARG A 25 0.720 7.666 5.818 1.00 0.00 C ATOM 327 C ARG A 25 -0.550 6.873 5.526 1.00 0.00 C ATOM 328 O ARG A 25 -0.817 6.509 4.381 1.00 0.00 O ATOM 329 CB ARG A 25 0.360 9.105 6.192 1.00 0.00 C ATOM 330 CG ARG A 25 1.456 10.109 5.874 1.00 0.00 C ATOM 331 CD ARG A 25 2.573 10.060 6.904 1.00 0.00 C ATOM 332 NE ARG A 25 2.187 10.696 8.161 1.00 0.00 N ATOM 333 CZ ARG A 25 2.249 12.007 8.370 1.00 0.00 C ATOM 334 NH1 ARG A 25 2.678 12.815 7.412 1.00 0.00 N ATOM 335 NH2 ARG A 25 1.879 12.511 9.541 1.00 0.00 N ATOM 0 H ARG A 25 1.259 8.135 3.847 1.00 0.00 H new ATOM 0 HA ARG A 25 1.236 7.197 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.549 9.392 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.136 9.149 7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.863 9.903 4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.033 11.113 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.847 9.022 7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.457 10.556 6.504 1.00 0.00 H new ATOM 0 HE ARG A 25 1.852 10.102 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.962 12.431 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.724 13.821 7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.547 11.892 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.927 13.517 9.701 1.00 0.00 H new ATOM 349 N ALA A 26 -1.330 6.607 6.569 1.00 0.00 N ATOM 350 CA ALA A 26 -2.572 5.858 6.424 1.00 0.00 C ATOM 351 C ALA A 26 -3.442 5.993 7.669 1.00 0.00 C ATOM 352 O ALA A 26 -2.987 5.748 8.786 1.00 0.00 O ATOM 353 CB ALA A 26 -2.275 4.393 6.141 1.00 0.00 C ATOM 0 H ALA A 26 -1.123 6.899 7.524 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.123 6.275 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.212 3.846 6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.700 4.310 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.700 3.972 6.966 1.00 0.00 H new ATOM 359 N TYR A 27 -4.696 6.383 7.469 1.00 0.00 N ATOM 360 CA TYR A 27 -5.629 6.553 8.576 1.00 0.00 C ATOM 361 C TYR A 27 -7.026 6.077 8.188 1.00 0.00 C ATOM 362 O TYR A 27 -7.457 6.243 7.048 1.00 0.00 O ATOM 363 CB TYR A 27 -5.680 8.020 9.007 1.00 0.00 C ATOM 364 CG TYR A 27 -5.819 8.986 7.852 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.706 9.404 7.133 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.063 9.480 7.480 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.829 10.288 6.078 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.195 10.363 6.426 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.075 10.764 5.728 1.00 0.00 C ATOM 370 OH TYR A 27 -6.201 11.643 4.677 1.00 0.00 O ATOM 0 H TYR A 27 -5.090 6.587 6.550 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.277 5.948 9.411 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.518 8.160 9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.773 8.259 9.562 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.729 9.032 7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.942 9.168 8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.954 10.605 5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.170 10.737 6.150 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.493 11.472 4.021 1.00 0.00 H new ATOM 380 N ALA A 28 -7.729 5.484 9.148 1.00 0.00 N ATOM 381 CA ALA A 28 -9.078 4.986 8.910 1.00 0.00 C ATOM 382 C ALA A 28 -10.109 6.099 9.061 1.00 0.00 C ATOM 383 O ALA A 28 -10.409 6.534 10.172 1.00 0.00 O ATOM 384 CB ALA A 28 -9.393 3.840 9.860 1.00 0.00 C ATOM 0 H ALA A 28 -7.386 5.337 10.097 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.127 4.618 7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.404 3.478 9.671 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.682 3.030 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.320 4.190 10.890 1.00 0.00 H new ATOM 390 N ALA A 29 -10.649 6.556 7.936 1.00 0.00 N ATOM 391 CA ALA A 29 -11.647 7.618 7.944 1.00 0.00 C ATOM 392 C ALA A 29 -12.976 7.118 8.499 1.00 0.00 C ATOM 393 O ALA A 29 -13.680 7.844 9.200 1.00 0.00 O ATOM 394 CB ALA A 29 -11.836 8.176 6.540 1.00 0.00 C ATOM 0 H ALA A 29 -10.412 6.207 7.007 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.288 8.415 8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.584 8.968 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.890 8.580 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.169 7.380 5.874 1.00 0.00 H new ATOM 400 N SER A 30 -13.314 5.872 8.181 1.00 0.00 N ATOM 401 CA SER A 30 -14.561 5.276 8.645 1.00 0.00 C ATOM 402 C SER A 30 -14.368 3.799 8.974 1.00 0.00 C ATOM 403 O SER A 30 -13.401 3.164 8.552 1.00 0.00 O ATOM 404 CB SER A 30 -15.653 5.436 7.585 1.00 0.00 C ATOM 405 OG SER A 30 -16.389 6.629 7.787 1.00 0.00 O ATOM 0 H SER A 30 -12.741 5.256 7.604 1.00 0.00 H new ATOM 0 HA SER A 30 -14.867 5.795 9.553 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.202 5.447 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.326 4.579 7.620 1.00 0.00 H new ATOM 0 HG SER A 30 -17.079 6.709 7.096 1.00 0.00 H new ATOM 411 N PRO A 31 -15.310 3.237 9.745 1.00 0.00 N ATOM 412 CA PRO A 31 -15.268 1.828 10.148 1.00 0.00 C ATOM 413 C PRO A 31 -15.523 0.883 8.979 1.00 0.00 C ATOM 414 O PRO A 31 -15.553 -0.337 9.148 1.00 0.00 O ATOM 415 CB PRO A 31 -16.394 1.720 11.179 1.00 0.00 C ATOM 416 CG PRO A 31 -17.338 2.816 10.825 1.00 0.00 C ATOM 417 CD PRO A 31 -16.491 3.934 10.284 1.00 0.00 C ATOM 0 HA PRO A 31 -14.289 1.544 10.535 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.882 0.747 11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.014 1.837 12.194 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.063 2.482 10.083 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.903 3.142 11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.014 4.496 9.510 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.217 4.644 11.064 1.00 0.00 H new ATOM 425 N THR A 32 -15.706 1.453 7.792 1.00 0.00 N ATOM 426 CA THR A 32 -15.959 0.661 6.595 1.00 0.00 C ATOM 427 C THR A 32 -14.964 0.999 5.491 1.00 0.00 C ATOM 428 O THR A 32 -14.755 0.212 4.568 1.00 0.00 O ATOM 429 CB THR A 32 -17.389 0.883 6.067 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.565 2.253 5.690 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.420 0.504 7.120 1.00 0.00 C ATOM 0 H THR A 32 -15.684 2.460 7.634 1.00 0.00 H new ATOM 0 HA THR A 32 -15.842 -0.385 6.878 1.00 0.00 H new ATOM 0 HB THR A 32 -17.534 0.246 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.476 2.385 5.354 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.422 0.669 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.302 -0.547 7.383 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.275 1.118 8.009 1.00 0.00 H new ATOM 439 N SER A 33 -14.352 2.175 5.593 1.00 0.00 N ATOM 440 CA SER A 33 -13.380 2.619 4.600 1.00 0.00 C ATOM 441 C SER A 33 -12.070 3.026 5.268 1.00 0.00 C ATOM 442 O SER A 33 -11.984 3.108 6.493 1.00 0.00 O ATOM 443 CB SER A 33 -13.941 3.792 3.795 1.00 0.00 C ATOM 444 OG SER A 33 -13.611 5.030 4.400 1.00 0.00 O ATOM 0 H SER A 33 -14.512 2.837 6.352 1.00 0.00 H new ATOM 0 HA SER A 33 -13.181 1.787 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.545 3.763 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.024 3.699 3.717 1.00 0.00 H new ATOM 0 HG SER A 33 -13.980 5.764 3.865 1.00 0.00 H new ATOM 450 N ILE A 34 -11.052 3.280 4.452 1.00 0.00 N ATOM 451 CA ILE A 34 -9.746 3.679 4.962 1.00 0.00 C ATOM 452 C ILE A 34 -9.042 4.621 3.992 1.00 0.00 C ATOM 453 O ILE A 34 -8.882 4.310 2.811 1.00 0.00 O ATOM 454 CB ILE A 34 -8.845 2.457 5.220 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.472 1.547 6.277 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.457 2.905 5.655 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.760 0.222 6.433 1.00 0.00 C ATOM 0 H ILE A 34 -11.107 3.217 3.435 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.920 4.197 5.905 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.750 1.892 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.473 2.065 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.513 1.362 6.014 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.832 2.030 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.010 3.517 4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.534 3.489 6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.259 -0.371 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.782 -0.316 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.725 0.397 6.727 1.00 0.00 H new ATOM 469 N THR A 35 -8.620 5.776 4.498 1.00 0.00 N ATOM 470 CA THR A 35 -7.932 6.764 3.677 1.00 0.00 C ATOM 471 C THR A 35 -6.419 6.603 3.776 1.00 0.00 C ATOM 472 O THR A 35 -5.856 6.591 4.870 1.00 0.00 O ATOM 473 CB THR A 35 -8.311 8.199 4.089 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.714 8.410 3.893 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.523 9.220 3.283 1.00 0.00 C ATOM 0 H THR A 35 -8.743 6.050 5.473 1.00 0.00 H new ATOM 0 HA THR A 35 -8.247 6.594 2.647 1.00 0.00 H new ATOM 0 HB THR A 35 -8.068 8.327 5.144 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.948 9.324 4.159 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.808 10.226 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.457 9.076 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.739 9.091 2.222 1.00 0.00 H new ATOM 483 N VAL A 36 -5.765 6.481 2.625 1.00 0.00 N ATOM 484 CA VAL A 36 -4.317 6.322 2.581 1.00 0.00 C ATOM 485 C VAL A 36 -3.672 7.399 1.717 1.00 0.00 C ATOM 486 O VAL A 36 -4.150 7.703 0.623 1.00 0.00 O ATOM 487 CB VAL A 36 -3.920 4.937 2.038 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.410 4.757 2.086 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.621 3.837 2.820 1.00 0.00 C ATOM 0 H VAL A 36 -6.216 6.489 1.710 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.957 6.418 3.605 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.237 4.870 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.148 3.772 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.932 5.525 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.066 4.844 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.329 2.865 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.337 3.900 3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.701 3.957 2.728 1.00 0.00 H new ATOM 499 N THR A 37 -2.581 7.975 2.214 1.00 0.00 N ATOM 500 CA THR A 37 -1.870 9.020 1.487 1.00 0.00 C ATOM 501 C THR A 37 -0.374 8.732 1.436 1.00 0.00 C ATOM 502 O THR A 37 0.214 8.278 2.417 1.00 0.00 O ATOM 503 CB THR A 37 -2.094 10.402 2.128 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.455 10.458 3.408 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.579 10.692 2.284 1.00 0.00 C ATOM 0 H THR A 37 -2.171 7.735 3.117 1.00 0.00 H new ATOM 0 HA THR A 37 -2.271 9.029 0.473 1.00 0.00 H new ATOM 0 HB THR A 37 -1.660 11.157 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.601 11.341 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.712 11.674 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.057 10.678 1.305 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.033 9.933 2.920 1.00 0.00 H new ATOM 513 N TRP A 38 0.236 9.001 0.288 1.00 0.00 N ATOM 514 CA TRP A 38 1.666 8.772 0.110 1.00 0.00 C ATOM 515 C TRP A 38 2.292 9.872 -0.739 1.00 0.00 C ATOM 516 O TRP A 38 1.587 10.638 -1.396 1.00 0.00 O ATOM 517 CB TRP A 38 1.907 7.408 -0.541 1.00 0.00 C ATOM 518 CG TRP A 38 1.225 7.254 -1.866 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.727 7.592 -3.091 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.084 6.723 -2.099 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.808 7.303 -4.071 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.311 6.768 -3.489 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.086 6.211 -1.270 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.498 6.323 -4.064 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.264 5.770 -1.843 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.462 5.828 -3.229 1.00 0.00 C ATOM 0 H TRP A 38 -0.236 9.378 -0.534 1.00 0.00 H new ATOM 0 HA TRP A 38 2.137 8.786 1.093 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.979 7.261 -0.673 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.558 6.625 0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.702 8.023 -3.264 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.938 7.461 -5.070 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.942 6.161 -0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.653 6.367 -5.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.045 5.374 -1.211 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.394 5.475 -3.646 1.00 0.00 H new ATOM 537 N GLU A 39 3.619 9.945 -0.721 1.00 0.00 N ATOM 538 CA GLU A 39 4.339 10.953 -1.490 1.00 0.00 C ATOM 539 C GLU A 39 5.079 10.317 -2.664 1.00 0.00 C ATOM 540 O GLU A 39 5.276 9.102 -2.705 1.00 0.00 O ATOM 541 CB GLU A 39 5.329 11.700 -0.594 1.00 0.00 C ATOM 542 CG GLU A 39 4.728 12.909 0.102 1.00 0.00 C ATOM 543 CD GLU A 39 4.113 13.896 -0.872 1.00 0.00 C ATOM 544 OE1 GLU A 39 4.875 14.568 -1.598 1.00 0.00 O ATOM 545 OE2 GLU A 39 2.869 13.996 -0.907 1.00 0.00 O ATOM 0 H GLU A 39 4.217 9.318 -0.182 1.00 0.00 H new ATOM 0 HA GLU A 39 3.610 11.661 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.715 11.013 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.178 12.023 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.966 12.576 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.502 13.411 0.683 1.00 0.00 H new ATOM 552 N THR A 40 5.486 11.147 -3.619 1.00 0.00 N ATOM 553 CA THR A 40 6.201 10.668 -4.795 1.00 0.00 C ATOM 554 C THR A 40 7.701 10.588 -4.531 1.00 0.00 C ATOM 555 O THR A 40 8.315 11.521 -4.014 1.00 0.00 O ATOM 556 CB THR A 40 5.954 11.577 -6.013 1.00 0.00 C ATOM 557 OG1 THR A 40 4.555 11.621 -6.315 1.00 0.00 O ATOM 558 CG2 THR A 40 6.724 11.078 -7.226 1.00 0.00 C ATOM 0 H THR A 40 5.332 12.155 -3.601 1.00 0.00 H new ATOM 0 HA THR A 40 5.818 9.671 -5.013 1.00 0.00 H new ATOM 0 HB THR A 40 6.304 12.579 -5.767 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.432 11.811 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.534 11.736 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.791 11.073 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.400 10.067 -7.472 1.00 0.00 H new ATOM 566 N PRO A 41 8.306 9.448 -4.895 1.00 0.00 N ATOM 567 CA PRO A 41 9.742 9.220 -4.708 1.00 0.00 C ATOM 568 C PRO A 41 10.592 10.082 -5.636 1.00 0.00 C ATOM 569 O PRO A 41 10.543 9.932 -6.857 1.00 0.00 O ATOM 570 CB PRO A 41 9.914 7.737 -5.049 1.00 0.00 C ATOM 571 CG PRO A 41 8.780 7.426 -5.965 1.00 0.00 C ATOM 572 CD PRO A 41 7.636 8.293 -5.517 1.00 0.00 C ATOM 0 HA PRO A 41 10.068 9.480 -3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.874 7.550 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.880 7.118 -4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.046 7.636 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.514 6.370 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.009 8.596 -6.356 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.991 7.773 -4.808 1.00 0.00 H new ATOM 580 N VAL A 42 11.371 10.985 -5.049 1.00 0.00 N ATOM 581 CA VAL A 42 12.233 11.870 -5.823 1.00 0.00 C ATOM 582 C VAL A 42 13.254 11.075 -6.630 1.00 0.00 C ATOM 583 O VAL A 42 13.491 11.361 -7.804 1.00 0.00 O ATOM 584 CB VAL A 42 12.976 12.866 -4.914 1.00 0.00 C ATOM 585 CG1 VAL A 42 11.989 13.663 -4.075 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.973 12.135 -4.027 1.00 0.00 C ATOM 0 H VAL A 42 11.423 11.123 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 42 11.588 12.424 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 42 13.527 13.564 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.533 14.361 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.318 14.217 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.408 12.983 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.489 12.854 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.445 11.413 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.700 11.614 -4.650 1.00 0.00 H new ATOM 650 N ILE A 48 6.140 8.211 -13.516 1.00 0.00 N ATOM 651 CA ILE A 48 5.278 7.090 -13.163 1.00 0.00 C ATOM 652 C ILE A 48 4.020 7.072 -14.024 1.00 0.00 C ATOM 653 O ILE A 48 3.328 8.082 -14.150 1.00 0.00 O ATOM 654 CB ILE A 48 4.870 7.140 -11.678 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.112 7.219 -10.788 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.030 5.923 -11.319 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.014 6.010 -10.900 1.00 0.00 C ATOM 0 HA ILE A 48 5.852 6.181 -13.343 1.00 0.00 H new ATOM 0 HB ILE A 48 4.269 8.034 -11.511 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.680 8.112 -11.050 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.799 7.333 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.749 5.972 -10.267 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.130 5.907 -11.934 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.608 5.016 -11.498 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.874 6.135 -10.242 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.462 5.116 -10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.357 5.906 -11.929 1.00 0.00 H new ATOM 669 N GLN A 49 3.729 5.917 -14.613 1.00 0.00 N ATOM 670 CA GLN A 49 2.552 5.767 -15.461 1.00 0.00 C ATOM 671 C GLN A 49 1.297 5.564 -14.620 1.00 0.00 C ATOM 672 O GLN A 49 0.264 6.185 -14.868 1.00 0.00 O ATOM 673 CB GLN A 49 2.735 4.589 -16.419 1.00 0.00 C ATOM 674 CG GLN A 49 3.875 4.779 -17.407 1.00 0.00 C ATOM 675 CD GLN A 49 3.780 3.843 -18.595 1.00 0.00 C ATOM 676 OE1 GLN A 49 2.990 2.898 -18.594 1.00 0.00 O ATOM 677 NE2 GLN A 49 4.586 4.100 -19.618 1.00 0.00 N ATOM 0 H GLN A 49 4.292 5.071 -14.519 1.00 0.00 H new ATOM 0 HA GLN A 49 2.434 6.683 -16.041 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.915 3.684 -15.839 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.808 4.434 -16.972 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.876 5.810 -17.761 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.824 4.616 -16.896 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.225 4.894 -19.577 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.566 3.504 -20.445 1.00 0.00 H new ATOM 686 N ASN A 50 1.393 4.689 -13.624 1.00 0.00 N ATOM 687 CA ASN A 50 0.264 4.403 -12.746 1.00 0.00 C ATOM 688 C ASN A 50 0.742 3.854 -11.406 1.00 0.00 C ATOM 689 O ASN A 50 1.687 3.066 -11.348 1.00 0.00 O ATOM 690 CB ASN A 50 -0.685 3.404 -13.411 1.00 0.00 C ATOM 691 CG ASN A 50 -1.973 3.223 -12.631 1.00 0.00 C ATOM 692 OD1 ASN A 50 -2.261 2.136 -12.129 1.00 0.00 O ATOM 693 ND2 ASN A 50 -2.756 4.291 -12.526 1.00 0.00 N ATOM 0 H ASN A 50 2.241 4.166 -13.405 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.270 5.336 -12.566 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.919 3.745 -14.419 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.184 2.441 -13.509 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.636 4.230 -12.013 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.478 5.172 -12.958 1.00 0.00 H new ATOM 700 N TYR A 51 0.084 4.274 -10.331 1.00 0.00 N ATOM 701 CA TYR A 51 0.443 3.826 -8.991 1.00 0.00 C ATOM 702 C TYR A 51 -0.390 2.615 -8.580 1.00 0.00 C ATOM 703 O TYR A 51 -1.616 2.623 -8.693 1.00 0.00 O ATOM 704 CB TYR A 51 0.248 4.959 -7.982 1.00 0.00 C ATOM 705 CG TYR A 51 1.433 5.892 -7.885 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.686 5.420 -7.512 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.301 7.247 -8.164 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.772 6.269 -7.421 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.381 8.103 -8.077 1.00 0.00 C ATOM 710 CZ TYR A 51 3.614 7.610 -7.704 1.00 0.00 C ATOM 711 OH TYR A 51 4.693 8.460 -7.615 1.00 0.00 O ATOM 0 H TYR A 51 -0.701 4.924 -10.362 1.00 0.00 H new ATOM 0 HA TYR A 51 1.493 3.535 -9.002 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.635 5.534 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.052 4.530 -6.999 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.813 4.371 -7.289 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.337 7.637 -8.454 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.739 5.885 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.261 9.153 -8.300 1.00 0.00 H new ATOM 0 HH TYR A 51 4.379 9.388 -7.610 1.00 0.00 H new ATOM 721 N LYS A 52 0.285 1.575 -8.102 1.00 0.00 N ATOM 722 CA LYS A 52 -0.390 0.357 -7.672 1.00 0.00 C ATOM 723 C LYS A 52 -0.525 0.317 -6.153 1.00 0.00 C ATOM 724 O LYS A 52 0.470 0.386 -5.429 1.00 0.00 O ATOM 725 CB LYS A 52 0.376 -0.875 -8.159 1.00 0.00 C ATOM 726 CG LYS A 52 -0.465 -2.139 -8.199 1.00 0.00 C ATOM 727 CD LYS A 52 -1.129 -2.324 -9.554 1.00 0.00 C ATOM 728 CE LYS A 52 -2.110 -1.201 -9.852 1.00 0.00 C ATOM 729 NZ LYS A 52 -2.940 -1.494 -11.053 1.00 0.00 N ATOM 0 H LYS A 52 1.300 1.552 -8.003 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.389 0.352 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.768 -0.678 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.234 -1.040 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.163 -3.002 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.228 -2.094 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.367 -2.359 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.651 -3.280 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.760 -1.048 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.562 -0.272 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.746 -0.786 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.707 -2.441 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.947 -1.459 -10.796 1.00 0.00 H new ATOM 743 N LEU A 53 -1.760 0.204 -5.676 1.00 0.00 N ATOM 744 CA LEU A 53 -2.024 0.153 -4.242 1.00 0.00 C ATOM 745 C LEU A 53 -2.636 -1.187 -3.849 1.00 0.00 C ATOM 746 O LEU A 53 -3.635 -1.619 -4.426 1.00 0.00 O ATOM 747 CB LEU A 53 -2.960 1.293 -3.835 1.00 0.00 C ATOM 748 CG LEU A 53 -3.610 1.169 -2.457 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.575 1.358 -1.359 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.740 2.177 -2.307 1.00 0.00 C ATOM 0 H LEU A 53 -2.594 0.146 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.075 0.266 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.398 2.226 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.750 1.371 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.029 0.167 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.057 1.266 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.801 0.597 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.125 2.347 -1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.191 2.074 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.345 3.186 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.495 1.994 -3.072 1.00 0.00 H new ATOM 762 N TYR A 54 -2.033 -1.840 -2.862 1.00 0.00 N ATOM 763 CA TYR A 54 -2.519 -3.132 -2.391 1.00 0.00 C ATOM 764 C TYR A 54 -3.163 -3.002 -1.014 1.00 0.00 C ATOM 765 O TYR A 54 -2.933 -2.028 -0.297 1.00 0.00 O ATOM 766 CB TYR A 54 -1.372 -4.142 -2.336 1.00 0.00 C ATOM 767 CG TYR A 54 -0.649 -4.309 -3.654 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.015 -3.234 -4.262 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.600 -5.544 -4.290 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.646 -3.382 -5.466 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.059 -5.701 -5.494 1.00 0.00 C ATOM 772 CZ TYR A 54 0.680 -4.617 -6.078 1.00 0.00 C ATOM 773 OH TYR A 54 1.339 -4.769 -7.277 1.00 0.00 O ATOM 0 H TYR A 54 -1.207 -1.496 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.273 -3.486 -3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.657 -3.826 -1.576 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.765 -5.109 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.039 -2.265 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.085 -6.395 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.134 -2.535 -5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.088 -6.667 -5.975 1.00 0.00 H new ATOM 0 HH TYR A 54 1.269 -5.701 -7.573 1.00 0.00 H new ATOM 783 N TYR A 55 -3.970 -3.992 -0.650 1.00 0.00 N ATOM 784 CA TYR A 55 -4.650 -3.990 0.639 1.00 0.00 C ATOM 785 C TYR A 55 -5.143 -5.389 0.998 1.00 0.00 C ATOM 786 O TYR A 55 -5.644 -6.120 0.145 1.00 0.00 O ATOM 787 CB TYR A 55 -5.827 -3.013 0.618 1.00 0.00 C ATOM 788 CG TYR A 55 -6.954 -3.443 -0.293 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.875 -3.252 -1.667 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.100 -4.039 0.220 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.903 -3.643 -2.504 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.132 -4.434 -0.609 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.029 -4.234 -1.970 1.00 0.00 C ATOM 794 OH TYR A 55 -10.055 -4.625 -2.798 1.00 0.00 O ATOM 0 H TYR A 55 -4.169 -4.807 -1.230 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.935 -3.671 1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.213 -2.900 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.469 -2.033 0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.995 -2.790 -2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.185 -4.196 1.285 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.825 -3.487 -3.570 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.015 -4.897 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.773 -5.025 -2.263 1.00 0.00 H new ATOM 804 N MET A 56 -4.996 -5.753 2.268 1.00 0.00 N ATOM 805 CA MET A 56 -5.427 -7.063 2.741 1.00 0.00 C ATOM 806 C MET A 56 -5.634 -7.054 4.252 1.00 0.00 C ATOM 807 O MET A 56 -5.139 -6.170 4.950 1.00 0.00 O ATOM 808 CB MET A 56 -4.399 -8.131 2.362 1.00 0.00 C ATOM 809 CG MET A 56 -3.333 -8.352 3.423 1.00 0.00 C ATOM 810 SD MET A 56 -1.857 -9.154 2.768 1.00 0.00 S ATOM 811 CE MET A 56 -1.388 -10.185 4.156 1.00 0.00 C ATOM 0 H MET A 56 -4.582 -5.160 2.987 1.00 0.00 H new ATOM 0 HA MET A 56 -6.378 -7.299 2.263 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.917 -9.072 2.177 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.916 -7.844 1.428 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.057 -7.393 3.860 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.747 -8.961 4.227 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.706 -10.965 3.816 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.893 -9.575 4.912 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.278 -10.644 4.586 1.00 0.00 H new ATOM 821 N GLU A 57 -6.368 -8.044 4.751 1.00 0.00 N ATOM 822 CA GLU A 57 -6.640 -8.148 6.180 1.00 0.00 C ATOM 823 C GLU A 57 -5.508 -8.876 6.898 1.00 0.00 C ATOM 824 O GLU A 57 -5.059 -9.936 6.460 1.00 0.00 O ATOM 825 CB GLU A 57 -7.963 -8.879 6.418 1.00 0.00 C ATOM 826 CG GLU A 57 -8.552 -8.637 7.797 1.00 0.00 C ATOM 827 CD GLU A 57 -9.674 -9.602 8.130 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.647 -9.671 7.350 1.00 0.00 O ATOM 829 OE2 GLU A 57 -9.580 -10.287 9.169 1.00 0.00 O ATOM 0 H GLU A 57 -6.785 -8.785 4.187 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.713 -7.138 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.684 -8.563 5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.807 -9.949 6.281 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.765 -8.729 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.928 -7.615 7.853 1.00 0.00 H new ATOM 836 N LYS A 58 -5.049 -8.300 8.003 1.00 0.00 N ATOM 837 CA LYS A 58 -3.969 -8.892 8.784 1.00 0.00 C ATOM 838 C LYS A 58 -4.313 -10.321 9.192 1.00 0.00 C ATOM 839 O LYS A 58 -5.021 -10.543 10.174 1.00 0.00 O ATOM 840 CB LYS A 58 -3.691 -8.048 10.030 1.00 0.00 C ATOM 841 CG LYS A 58 -2.264 -8.165 10.538 1.00 0.00 C ATOM 842 CD LYS A 58 -1.321 -7.256 9.766 1.00 0.00 C ATOM 843 CE LYS A 58 0.115 -7.409 10.244 1.00 0.00 C ATOM 844 NZ LYS A 58 0.713 -8.698 9.800 1.00 0.00 N ATOM 0 H LYS A 58 -5.408 -7.422 8.379 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.075 -8.916 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.903 -7.003 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.376 -8.349 10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.232 -7.909 11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.929 -9.198 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.379 -7.489 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.636 -6.219 9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.714 -6.581 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.144 -7.351 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.716 -8.727 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.209 -9.488 10.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.633 -8.780 8.766 1.00 0.00 H new ATOM 858 N GLY A 59 -3.806 -11.287 8.432 1.00 0.00 N ATOM 859 CA GLY A 59 -4.070 -12.682 8.731 1.00 0.00 C ATOM 860 C GLY A 59 -4.868 -13.369 7.640 1.00 0.00 C ATOM 861 O GLY A 59 -5.788 -14.137 7.922 1.00 0.00 O ATOM 0 H GLY A 59 -3.217 -11.128 7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.124 -13.206 8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.614 -12.752 9.673 1.00 0.00 H new ATOM 865 N THR A 60 -4.515 -13.092 6.388 1.00 0.00 N ATOM 866 CA THR A 60 -5.206 -13.686 5.251 1.00 0.00 C ATOM 867 C THR A 60 -4.215 -14.224 4.226 1.00 0.00 C ATOM 868 O THR A 60 -4.470 -15.237 3.574 1.00 0.00 O ATOM 869 CB THR A 60 -6.136 -12.667 4.564 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.615 -11.717 5.522 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.314 -13.369 3.905 1.00 0.00 C ATOM 0 H THR A 60 -3.755 -12.460 6.137 1.00 0.00 H new ATOM 0 HA THR A 60 -5.805 -14.509 5.640 1.00 0.00 H new ATOM 0 HB THR A 60 -5.565 -12.148 3.794 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.056 -10.912 5.492 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.957 -12.630 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.947 -14.070 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.884 -13.911 4.660 1.00 0.00 H new ATOM 879 N ASP A 61 -3.084 -13.540 4.088 1.00 0.00 N ATOM 880 CA ASP A 61 -2.053 -13.951 3.142 1.00 0.00 C ATOM 881 C ASP A 61 -2.532 -13.774 1.705 1.00 0.00 C ATOM 882 O ASP A 61 -2.054 -14.448 0.792 1.00 0.00 O ATOM 883 CB ASP A 61 -1.660 -15.409 3.385 1.00 0.00 C ATOM 884 CG ASP A 61 -0.383 -15.793 2.663 1.00 0.00 C ATOM 885 OD1 ASP A 61 0.521 -14.937 2.560 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.287 -16.949 2.201 1.00 0.00 O ATOM 0 H ASP A 61 -2.858 -12.699 4.619 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.180 -13.317 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.533 -15.574 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.470 -16.060 3.056 1.00 0.00 H new ATOM 891 N LYS A 62 -3.479 -12.863 1.510 1.00 0.00 N ATOM 892 CA LYS A 62 -4.024 -12.595 0.184 1.00 0.00 C ATOM 893 C LYS A 62 -4.469 -11.142 0.062 1.00 0.00 C ATOM 894 O LYS A 62 -5.483 -10.744 0.635 1.00 0.00 O ATOM 895 CB LYS A 62 -5.203 -13.527 -0.103 1.00 0.00 C ATOM 896 CG LYS A 62 -4.799 -14.836 -0.758 1.00 0.00 C ATOM 897 CD LYS A 62 -4.762 -14.713 -2.272 1.00 0.00 C ATOM 898 CE LYS A 62 -3.729 -15.649 -2.882 1.00 0.00 C ATOM 899 NZ LYS A 62 -2.360 -15.066 -2.841 1.00 0.00 N ATOM 0 H LYS A 62 -3.886 -12.297 2.255 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.238 -12.778 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.720 -13.743 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.914 -13.012 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.818 -15.139 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.502 -15.619 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.747 -14.940 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.531 -13.684 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.736 -16.597 -2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.001 -15.866 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.685 -15.734 -3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.347 -14.174 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.090 -14.883 -1.853 1.00 0.00 H new ATOM 913 N GLU A 63 -3.705 -10.354 -0.689 1.00 0.00 N ATOM 914 CA GLU A 63 -4.023 -8.945 -0.886 1.00 0.00 C ATOM 915 C GLU A 63 -4.559 -8.699 -2.293 1.00 0.00 C ATOM 916 O GLU A 63 -4.325 -9.493 -3.204 1.00 0.00 O ATOM 917 CB GLU A 63 -2.784 -8.081 -0.642 1.00 0.00 C ATOM 918 CG GLU A 63 -1.935 -7.870 -1.884 1.00 0.00 C ATOM 919 CD GLU A 63 -0.467 -7.670 -1.561 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.167 -7.106 -0.488 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.381 -8.078 -2.381 1.00 0.00 O ATOM 0 H GLU A 63 -2.862 -10.668 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.796 -8.670 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.098 -7.111 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.173 -8.547 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.044 -8.730 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.305 -7.001 -2.429 1.00 0.00 H new ATOM 928 N GLN A 64 -5.280 -7.595 -2.462 1.00 0.00 N ATOM 929 CA GLN A 64 -5.850 -7.246 -3.757 1.00 0.00 C ATOM 930 C GLN A 64 -5.088 -6.089 -4.394 1.00 0.00 C ATOM 931 O GLN A 64 -4.212 -5.491 -3.768 1.00 0.00 O ATOM 932 CB GLN A 64 -7.327 -6.878 -3.606 1.00 0.00 C ATOM 933 CG GLN A 64 -8.183 -8.008 -3.059 1.00 0.00 C ATOM 934 CD GLN A 64 -9.593 -7.563 -2.723 1.00 0.00 C ATOM 935 OE1 GLN A 64 -10.389 -7.261 -3.612 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.909 -7.520 -1.434 1.00 0.00 N ATOM 0 H GLN A 64 -5.483 -6.927 -1.718 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.764 -8.115 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.412 -6.016 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.718 -6.574 -4.577 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.225 -8.814 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.712 -8.415 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.217 -7.779 -0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.843 -7.228 -1.147 1.00 0.00 H new ATOM 945 N ASP A 65 -5.425 -5.779 -5.640 1.00 0.00 N ATOM 946 CA ASP A 65 -4.773 -4.692 -6.362 1.00 0.00 C ATOM 947 C ASP A 65 -5.804 -3.741 -6.960 1.00 0.00 C ATOM 948 O ASP A 65 -6.724 -4.166 -7.659 1.00 0.00 O ATOM 949 CB ASP A 65 -3.875 -5.251 -7.466 1.00 0.00 C ATOM 950 CG ASP A 65 -4.645 -5.570 -8.733 1.00 0.00 C ATOM 951 OD1 ASP A 65 -5.687 -6.252 -8.638 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.207 -5.135 -9.818 1.00 0.00 O ATOM 0 H ASP A 65 -6.147 -6.265 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.160 -4.135 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.091 -4.529 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.382 -6.154 -7.107 1.00 0.00 H new ATOM 957 N VAL A 66 -5.645 -2.451 -6.681 1.00 0.00 N ATOM 958 CA VAL A 66 -6.562 -1.439 -7.191 1.00 0.00 C ATOM 959 C VAL A 66 -5.809 -0.334 -7.923 1.00 0.00 C ATOM 960 O VAL A 66 -4.845 0.226 -7.400 1.00 0.00 O ATOM 961 CB VAL A 66 -7.395 -0.813 -6.057 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.291 -1.860 -5.412 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.486 -0.167 -5.023 1.00 0.00 C ATOM 0 H VAL A 66 -4.889 -2.082 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.232 -1.942 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.032 -0.037 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.872 -1.399 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.967 -2.272 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.677 -2.660 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.091 0.270 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.823 -0.921 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.892 0.614 -5.498 1.00 0.00 H new ATOM 973 N ASP A 67 -6.255 -0.025 -9.136 1.00 0.00 N ATOM 974 CA ASP A 67 -5.624 1.015 -9.941 1.00 0.00 C ATOM 975 C ASP A 67 -5.944 2.400 -9.387 1.00 0.00 C ATOM 976 O ASP A 67 -7.104 2.809 -9.343 1.00 0.00 O ATOM 977 CB ASP A 67 -6.085 0.914 -11.395 1.00 0.00 C ATOM 978 CG ASP A 67 -5.217 -0.021 -12.215 1.00 0.00 C ATOM 979 OD1 ASP A 67 -5.441 -1.248 -12.150 1.00 0.00 O ATOM 980 OD2 ASP A 67 -4.314 0.475 -12.921 1.00 0.00 O ATOM 0 H ASP A 67 -7.051 -0.480 -9.583 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.545 0.868 -9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.117 0.564 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.073 1.906 -11.847 1.00 0.00 H new ATOM 985 N VAL A 68 -4.908 3.117 -8.964 1.00 0.00 N ATOM 986 CA VAL A 68 -5.079 4.456 -8.413 1.00 0.00 C ATOM 987 C VAL A 68 -4.337 5.493 -9.249 1.00 0.00 C ATOM 988 O VAL A 68 -3.169 5.308 -9.592 1.00 0.00 O ATOM 989 CB VAL A 68 -4.579 4.532 -6.958 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.728 5.945 -6.415 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.326 3.535 -6.085 1.00 0.00 C ATOM 0 H VAL A 68 -3.941 2.793 -8.992 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.147 4.673 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.521 4.272 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.370 5.979 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.143 6.633 -7.026 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.778 6.237 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.960 3.603 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.392 3.761 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.162 2.526 -6.463 1.00 0.00 H new ATOM 1001 N SER A 69 -5.023 6.584 -9.573 1.00 0.00 N ATOM 1002 CA SER A 69 -4.430 7.650 -10.372 1.00 0.00 C ATOM 1003 C SER A 69 -4.341 8.945 -9.570 1.00 0.00 C ATOM 1004 O SER A 69 -4.783 10.001 -10.023 1.00 0.00 O ATOM 1005 CB SER A 69 -5.251 7.880 -11.643 1.00 0.00 C ATOM 1006 OG SER A 69 -5.012 6.858 -12.595 1.00 0.00 O ATOM 0 H SER A 69 -5.990 6.753 -9.295 1.00 0.00 H new ATOM 0 HA SER A 69 -3.421 7.344 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.312 7.909 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.998 8.849 -12.073 1.00 0.00 H new ATOM 0 HG SER A 69 -5.549 7.026 -13.397 1.00 0.00 H new ATOM 1012 N SER A 70 -3.767 8.854 -8.374 1.00 0.00 N ATOM 1013 CA SER A 70 -3.622 10.017 -7.506 1.00 0.00 C ATOM 1014 C SER A 70 -2.653 9.725 -6.364 1.00 0.00 C ATOM 1015 O SER A 70 -2.088 8.634 -6.278 1.00 0.00 O ATOM 1016 CB SER A 70 -4.983 10.430 -6.941 1.00 0.00 C ATOM 1017 OG SER A 70 -5.825 10.937 -7.962 1.00 0.00 O ATOM 0 H SER A 70 -3.395 7.988 -7.985 1.00 0.00 H new ATOM 0 HA SER A 70 -3.219 10.836 -8.101 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.459 9.572 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.846 11.187 -6.169 1.00 0.00 H new ATOM 0 HG SER A 70 -5.295 11.105 -8.769 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.465 10.708 -5.490 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.564 10.558 -4.353 1.00 0.00 C ATOM 1025 C HIS A 71 -2.281 9.906 -3.174 1.00 0.00 C ATOM 1026 O HIS A 71 -1.680 9.153 -2.409 1.00 0.00 O ATOM 1027 CB HIS A 71 -1.005 11.918 -3.935 1.00 0.00 C ATOM 1028 CG HIS A 71 0.095 12.412 -4.823 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.121 13.685 -5.353 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.214 11.796 -5.272 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.207 13.830 -6.092 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.887 12.699 -6.059 1.00 0.00 N ATOM 0 H HIS A 71 -2.924 11.617 -5.547 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.740 9.913 -4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.814 12.649 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.633 11.850 -2.913 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.520 10.784 -5.053 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.490 14.722 -6.631 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.769 12.524 -6.540 1.00 0.00 H new ATOM 1041 N SER A 72 -3.570 10.201 -3.035 1.00 0.00 N ATOM 1042 CA SER A 72 -4.368 9.647 -1.947 1.00 0.00 C ATOM 1043 C SER A 72 -5.578 8.894 -2.491 1.00 0.00 C ATOM 1044 O SER A 72 -6.188 9.306 -3.477 1.00 0.00 O ATOM 1045 CB SER A 72 -4.827 10.761 -1.005 1.00 0.00 C ATOM 1046 OG SER A 72 -5.742 11.631 -1.651 1.00 0.00 O ATOM 0 H SER A 72 -4.084 10.820 -3.662 1.00 0.00 H new ATOM 0 HA SER A 72 -3.745 8.946 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.296 10.325 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.963 11.328 -0.659 1.00 0.00 H new ATOM 0 HG SER A 72 -6.022 12.333 -1.027 1.00 0.00 H new ATOM 1052 N TYR A 73 -5.919 7.787 -1.839 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.054 6.974 -2.257 1.00 0.00 C ATOM 1054 C TYR A 73 -7.893 6.550 -1.055 1.00 0.00 C ATOM 1055 O TYR A 73 -7.419 6.556 0.082 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.571 5.738 -3.017 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.688 4.941 -3.651 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.213 5.303 -4.885 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.219 3.824 -3.016 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.235 4.578 -5.468 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.239 3.093 -3.592 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.744 3.474 -4.817 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.761 2.749 -5.395 1.00 0.00 O ATOM 0 H TYR A 73 -5.425 7.433 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.677 7.578 -2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.872 6.050 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.020 5.094 -2.332 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.816 6.166 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.827 3.523 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.633 4.874 -6.427 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.639 2.227 -3.085 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.004 2.002 -4.809 1.00 0.00 H new ATOM 1073 N THR A 74 -9.143 6.180 -1.314 1.00 0.00 N ATOM 1074 CA THR A 74 -10.049 5.753 -0.256 1.00 0.00 C ATOM 1075 C THR A 74 -10.627 4.374 -0.550 1.00 0.00 C ATOM 1076 O THR A 74 -11.386 4.199 -1.503 1.00 0.00 O ATOM 1077 CB THR A 74 -11.206 6.753 -0.069 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.686 8.060 0.200 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.117 6.320 1.069 1.00 0.00 C ATOM 0 H THR A 74 -9.551 6.168 -2.249 1.00 0.00 H new ATOM 0 HA THR A 74 -9.464 5.710 0.662 1.00 0.00 H new ATOM 0 HB THR A 74 -11.788 6.777 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.428 8.690 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.926 7.041 1.182 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.535 5.338 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.544 6.270 1.995 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.263 3.397 0.275 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.748 2.033 0.103 1.00 0.00 C ATOM 1089 C ILE A 75 -11.947 1.758 1.005 1.00 0.00 C ATOM 1090 O ILE A 75 -11.804 1.625 2.220 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.645 1.002 0.406 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.513 1.118 -0.617 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.222 -0.406 0.407 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.316 0.251 -0.296 1.00 0.00 C ATOM 0 H ILE A 75 -9.635 3.525 1.068 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.051 1.934 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.238 1.208 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.895 0.846 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.193 2.158 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.430 -1.124 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.997 -0.481 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.652 -0.624 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.554 0.385 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.909 0.538 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.622 -0.795 -0.266 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.127 1.673 0.401 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.352 1.412 1.149 1.00 0.00 C ATOM 1108 C ASN A 76 -14.771 -0.048 1.014 1.00 0.00 C ATOM 1109 O ASN A 76 -14.183 -0.805 0.242 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.477 2.326 0.660 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.555 2.388 -0.853 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -16.114 1.497 -1.494 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.994 3.443 -1.431 1.00 0.00 N ATOM 0 H ASN A 76 -13.262 1.781 -0.604 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.157 1.619 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.428 1.970 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.323 3.330 1.055 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.015 3.540 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.542 4.157 -0.860 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.794 -0.438 1.769 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.276 -1.805 1.718 1.00 0.00 C ATOM 1122 C GLY A 77 -15.424 -2.751 2.542 1.00 0.00 C ATOM 1123 O GLY A 77 -15.040 -3.822 2.072 1.00 0.00 O ATOM 0 H GLY A 77 -16.297 0.170 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.304 -1.838 2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.291 -2.143 0.682 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.128 -2.355 3.775 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.314 -3.175 4.667 1.00 0.00 C ATOM 1129 C LEU A 78 -15.041 -3.433 5.983 1.00 0.00 C ATOM 1130 O LEU A 78 -15.961 -2.703 6.351 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.973 -2.491 4.938 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.208 -2.003 3.708 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.012 -1.161 4.123 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.762 -3.182 2.854 1.00 0.00 C ATOM 0 H LEU A 78 -15.439 -1.472 4.180 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.134 -4.133 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.149 -1.638 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.337 -3.187 5.484 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.876 -1.381 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.479 -0.822 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.355 -0.297 4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.343 -1.759 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.219 -2.815 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.111 -3.831 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.636 -3.745 2.526 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.621 -4.477 6.689 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.229 -4.832 7.967 1.00 0.00 C ATOM 1148 C LYS A 79 -14.900 -3.792 9.033 1.00 0.00 C ATOM 1149 O LYS A 79 -14.076 -2.903 8.815 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.746 -6.212 8.419 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.941 -7.297 7.375 1.00 0.00 C ATOM 1152 CD LYS A 79 -13.930 -8.419 7.541 1.00 0.00 C ATOM 1153 CE LYS A 79 -14.470 -9.739 7.012 1.00 0.00 C ATOM 1154 NZ LYS A 79 -14.365 -9.827 5.529 1.00 0.00 N ATOM 0 H LYS A 79 -13.862 -5.093 6.398 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.310 -4.859 7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.688 -6.152 8.675 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.278 -6.494 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.950 -7.701 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.847 -6.865 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.011 -8.163 7.014 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.673 -8.526 8.595 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.920 -10.564 7.465 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.513 -9.850 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.743 -10.741 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.911 -9.055 5.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.367 -9.747 5.246 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.548 -3.909 10.187 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.324 -2.981 11.289 1.00 0.00 C ATOM 1170 C LYS A 80 -14.428 -3.607 12.353 1.00 0.00 C ATOM 1171 O LYS A 80 -14.472 -4.816 12.582 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.658 -2.563 11.911 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.658 -2.028 10.901 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.563 -3.129 10.375 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.303 -2.691 9.120 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.382 -1.712 9.427 1.00 0.00 N ATOM 0 H LYS A 80 -16.233 -4.638 10.383 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.824 -2.098 10.892 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.095 -3.420 12.424 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.474 -1.800 12.667 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.263 -1.249 11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.125 -1.566 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.969 -4.017 10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.283 -3.408 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.597 -2.246 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.733 -3.564 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.863 -1.438 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -21.069 -2.145 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.969 -0.868 9.873 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.619 -2.777 13.002 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.713 -3.250 14.042 1.00 0.00 C ATOM 1192 C TYR A 81 -11.801 -4.351 13.510 1.00 0.00 C ATOM 1193 O TYR A 81 -11.548 -5.347 14.188 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.507 -3.765 15.243 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.751 -3.679 16.550 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -12.236 -2.469 16.999 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.553 -4.808 17.336 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -11.545 -2.386 18.192 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.864 -4.734 18.531 1.00 0.00 C ATOM 1200 CZ TYR A 81 -11.362 -3.521 18.955 1.00 0.00 C ATOM 1201 OH TYR A 81 -10.675 -3.442 20.145 1.00 0.00 O ATOM 0 H TYR A 81 -13.572 -1.773 12.826 1.00 0.00 H new ATOM 0 HA TYR A 81 -12.093 -2.411 14.358 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.431 -3.194 15.329 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.789 -4.802 15.064 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -12.378 -1.578 16.405 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.944 -5.759 17.007 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -11.150 -1.438 18.526 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.719 -5.621 19.130 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.636 -4.329 20.560 1.00 0.00 H new ATOM 1211 N THR A 82 -11.307 -4.164 12.289 1.00 0.00 N ATOM 1212 CA THR A 82 -10.423 -5.140 11.665 1.00 0.00 C ATOM 1213 C THR A 82 -9.185 -4.468 11.084 1.00 0.00 C ATOM 1214 O THR A 82 -9.277 -3.414 10.454 1.00 0.00 O ATOM 1215 CB THR A 82 -11.145 -5.916 10.546 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.170 -6.743 11.107 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.163 -6.775 9.764 1.00 0.00 C ATOM 0 H THR A 82 -11.505 -3.345 11.714 1.00 0.00 H new ATOM 0 HA THR A 82 -10.121 -5.838 12.446 1.00 0.00 H new ATOM 0 HB THR A 82 -11.595 -5.194 9.864 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.844 -6.179 11.541 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.695 -7.313 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.401 -6.139 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.689 -7.489 10.437 1.00 0.00 H new ATOM 1225 N GLU A 83 -8.027 -5.084 11.299 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.769 -4.543 10.796 1.00 0.00 C ATOM 1227 C GLU A 83 -6.590 -4.869 9.316 1.00 0.00 C ATOM 1228 O GLU A 83 -7.130 -5.856 8.817 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.592 -5.100 11.599 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.354 -4.219 11.555 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.396 -4.503 12.695 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.863 -4.941 13.767 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.179 -4.286 12.516 1.00 0.00 O ATOM 0 H GLU A 83 -7.933 -5.957 11.818 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.797 -3.459 10.910 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.899 -5.229 12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.338 -6.089 11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.839 -4.370 10.606 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.656 -3.172 11.591 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.830 -4.031 8.620 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.581 -4.227 7.197 1.00 0.00 C ATOM 1242 C TYR A 84 -4.237 -3.631 6.791 1.00 0.00 C ATOM 1243 O TYR A 84 -3.912 -2.500 7.153 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.703 -3.595 6.370 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.013 -4.345 6.455 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.278 -5.418 5.613 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.986 -3.980 7.377 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.475 -6.104 5.687 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.185 -4.662 7.459 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.425 -5.723 6.611 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.617 -6.405 6.688 1.00 0.00 O ATOM 0 H TYR A 84 -5.376 -3.209 9.018 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.555 -5.299 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.858 -2.570 6.707 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.390 -3.544 5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.536 -5.721 4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.802 -3.149 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.666 -6.935 5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.930 -4.366 8.183 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.848 -6.760 5.804 1.00 0.00 H new ATOM 1261 N SER A 85 -3.460 -4.400 6.036 1.00 0.00 N ATOM 1262 CA SER A 85 -2.149 -3.951 5.583 1.00 0.00 C ATOM 1263 C SER A 85 -2.272 -3.104 4.320 1.00 0.00 C ATOM 1264 O SER A 85 -3.211 -3.264 3.540 1.00 0.00 O ATOM 1265 CB SER A 85 -1.238 -5.151 5.318 1.00 0.00 C ATOM 1266 OG SER A 85 0.126 -4.804 5.487 1.00 0.00 O ATOM 0 H SER A 85 -3.716 -5.337 5.725 1.00 0.00 H new ATOM 0 HA SER A 85 -1.711 -3.338 6.371 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.496 -5.964 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.400 -5.518 4.304 1.00 0.00 H new ATOM 0 HG SER A 85 0.687 -5.589 5.314 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.316 -2.201 4.125 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.317 -1.327 2.957 1.00 0.00 C ATOM 1274 C PHE A 86 0.108 -1.045 2.488 1.00 0.00 C ATOM 1275 O PHE A 86 1.009 -0.833 3.299 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.029 -0.012 3.279 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.503 -0.172 3.523 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.362 -0.475 2.479 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.028 -0.021 4.796 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.718 -0.623 2.700 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.384 -0.168 5.023 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.230 -0.470 3.974 1.00 0.00 C ATOM 0 H PHE A 86 -0.531 -2.055 4.760 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.852 -1.835 2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.569 0.434 4.161 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.879 0.685 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.967 -0.597 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.371 0.214 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.377 -0.858 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.781 -0.047 6.020 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.289 -0.586 4.149 1.00 0.00 H new ATOM 1292 N ARG A 87 0.302 -1.045 1.173 1.00 0.00 N ATOM 1293 CA ARG A 87 1.616 -0.792 0.595 1.00 0.00 C ATOM 1294 C ARG A 87 1.489 -0.154 -0.785 1.00 0.00 C ATOM 1295 O ARG A 87 0.608 -0.511 -1.567 1.00 0.00 O ATOM 1296 CB ARG A 87 2.413 -2.094 0.496 1.00 0.00 C ATOM 1297 CG ARG A 87 1.914 -3.032 -0.591 1.00 0.00 C ATOM 1298 CD ARG A 87 2.625 -2.783 -1.912 1.00 0.00 C ATOM 1299 NE ARG A 87 2.708 -3.993 -2.725 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.483 -5.029 -2.424 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.237 -5.003 -1.334 1.00 0.00 N ATOM 1302 NH2 ARG A 87 3.504 -6.095 -3.215 1.00 0.00 N ATOM 0 H ARG A 87 -0.434 -1.217 0.488 1.00 0.00 H new ATOM 0 HA ARG A 87 2.146 -0.099 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.460 -1.856 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.372 -2.609 1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.071 -4.065 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.840 -2.898 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.097 -2.008 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.630 -2.407 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 87 2.140 -4.046 -3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.223 -4.186 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.831 -5.800 -1.106 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.925 -6.119 -4.054 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.099 -6.890 -2.983 1.00 0.00 H new ATOM 1316 N VAL A 88 2.375 0.793 -1.077 1.00 0.00 N ATOM 1317 CA VAL A 88 2.363 1.481 -2.363 1.00 0.00 C ATOM 1318 C VAL A 88 3.575 1.096 -3.204 1.00 0.00 C ATOM 1319 O VAL A 88 4.700 1.047 -2.705 1.00 0.00 O ATOM 1320 CB VAL A 88 2.343 3.010 -2.181 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.390 3.709 -3.531 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.113 3.437 -1.393 1.00 0.00 C ATOM 0 H VAL A 88 3.110 1.101 -0.441 1.00 0.00 H new ATOM 0 HA VAL A 88 1.454 1.172 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 88 3.228 3.303 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.375 4.789 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.303 3.427 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.525 3.412 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.115 4.520 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.214 3.133 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.128 2.964 -0.411 1.00 0.00 H new ATOM 1332 N VAL A 89 3.338 0.823 -4.483 1.00 0.00 N ATOM 1333 CA VAL A 89 4.411 0.444 -5.395 1.00 0.00 C ATOM 1334 C VAL A 89 4.408 1.320 -6.642 1.00 0.00 C ATOM 1335 O VAL A 89 3.358 1.578 -7.229 1.00 0.00 O ATOM 1336 CB VAL A 89 4.292 -1.033 -5.818 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.332 -1.371 -6.875 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.431 -1.946 -4.610 1.00 0.00 C ATOM 0 H VAL A 89 2.413 0.857 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 89 5.348 0.586 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 89 3.304 -1.190 -6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.233 -2.418 -7.161 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.180 -0.739 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.330 -1.198 -6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.344 -2.985 -4.927 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.404 -1.789 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.644 -1.720 -3.890 1.00 0.00 H new ATOM 1348 N ALA A 90 5.591 1.776 -7.041 1.00 0.00 N ATOM 1349 CA ALA A 90 5.725 2.622 -8.220 1.00 0.00 C ATOM 1350 C ALA A 90 5.880 1.783 -9.484 1.00 0.00 C ATOM 1351 O ALA A 90 6.725 0.889 -9.547 1.00 0.00 O ATOM 1352 CB ALA A 90 6.909 3.564 -8.062 1.00 0.00 C ATOM 0 H ALA A 90 6.470 1.574 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 90 4.814 3.213 -8.317 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.997 4.190 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.757 4.195 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.822 2.983 -7.936 1.00 0.00 H new ATOM 1358 N TYR A 91 5.060 2.075 -10.487 1.00 0.00 N ATOM 1359 CA TYR A 91 5.105 1.344 -11.748 1.00 0.00 C ATOM 1360 C TYR A 91 5.395 2.286 -12.913 1.00 0.00 C ATOM 1361 O TYR A 91 4.589 3.157 -13.237 1.00 0.00 O ATOM 1362 CB TYR A 91 3.782 0.614 -11.985 1.00 0.00 C ATOM 1363 CG TYR A 91 3.685 -0.713 -11.267 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.221 -0.785 -9.959 1.00 0.00 C ATOM 1365 CD2 TYR A 91 4.057 -1.894 -11.896 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.132 -1.995 -9.299 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.970 -3.109 -11.244 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.507 -3.154 -9.946 1.00 0.00 C ATOM 1369 OH TYR A 91 3.419 -4.362 -9.292 1.00 0.00 O ATOM 0 H TYR A 91 4.356 2.812 -10.452 1.00 0.00 H new ATOM 0 HA TYR A 91 5.910 0.612 -11.687 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.961 1.254 -11.661 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.655 0.449 -13.055 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.925 0.120 -9.450 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.421 -1.862 -12.912 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.771 -2.033 -8.282 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.263 -4.018 -11.748 1.00 0.00 H new ATOM 0 HH TYR A 91 2.676 -4.335 -8.653 1.00 0.00 H new ATOM 1379 N ASN A 92 6.553 2.102 -13.539 1.00 0.00 N ATOM 1380 CA ASN A 92 6.952 2.934 -14.668 1.00 0.00 C ATOM 1381 C ASN A 92 7.083 2.100 -15.939 1.00 0.00 C ATOM 1382 O ASN A 92 7.187 0.875 -15.883 1.00 0.00 O ATOM 1383 CB ASN A 92 8.277 3.638 -14.368 1.00 0.00 C ATOM 1384 CG ASN A 92 9.371 2.665 -13.973 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.140 1.460 -13.874 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.571 3.186 -13.745 1.00 0.00 N ATOM 0 H ASN A 92 7.231 1.384 -13.283 1.00 0.00 H new ATOM 0 HA ASN A 92 6.177 3.685 -14.825 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.594 4.200 -15.247 1.00 0.00 H new ATOM 0 HB3 ASN A 92 8.128 4.359 -13.565 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.347 2.581 -13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.717 4.191 -13.839 1.00 0.00 H new ATOM 1393 N LYS A 93 7.077 2.773 -17.085 1.00 0.00 N ATOM 1394 CA LYS A 93 7.197 2.095 -18.371 1.00 0.00 C ATOM 1395 C LYS A 93 8.203 0.952 -18.292 1.00 0.00 C ATOM 1396 O LYS A 93 8.095 -0.035 -19.020 1.00 0.00 O ATOM 1397 CB LYS A 93 7.621 3.088 -19.455 1.00 0.00 C ATOM 1398 CG LYS A 93 8.954 3.761 -19.177 1.00 0.00 C ATOM 1399 CD LYS A 93 8.783 4.999 -18.313 1.00 0.00 C ATOM 1400 CE LYS A 93 10.004 5.903 -18.387 1.00 0.00 C ATOM 1401 NZ LYS A 93 9.800 7.174 -17.637 1.00 0.00 N ATOM 0 H LYS A 93 6.990 3.787 -17.150 1.00 0.00 H new ATOM 0 HA LYS A 93 6.222 1.680 -18.627 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.679 2.567 -20.410 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.851 3.853 -19.556 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.621 3.058 -18.679 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.427 4.036 -20.119 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.900 5.551 -18.636 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.611 4.701 -17.279 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.870 5.378 -17.983 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.226 6.128 -19.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.654 7.762 -17.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.990 7.688 -18.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.613 6.961 -16.636 1.00 0.00 H new ATOM 1415 N HIS A 94 9.182 1.091 -17.402 1.00 0.00 N ATOM 1416 CA HIS A 94 10.207 0.068 -17.227 1.00 0.00 C ATOM 1417 C HIS A 94 9.639 -1.151 -16.506 1.00 0.00 C ATOM 1418 O HIS A 94 9.575 -2.243 -17.070 1.00 0.00 O ATOM 1419 CB HIS A 94 11.392 0.633 -16.443 1.00 0.00 C ATOM 1420 CG HIS A 94 11.973 1.873 -17.048 1.00 0.00 C ATOM 1421 ND1 HIS A 94 12.294 1.980 -18.385 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.291 3.065 -16.490 1.00 0.00 C ATOM 1423 CE1 HIS A 94 12.785 3.183 -18.623 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.793 3.862 -17.490 1.00 0.00 N ATOM 0 H HIS A 94 9.286 1.902 -16.792 1.00 0.00 H new ATOM 0 HA HIS A 94 10.549 -0.242 -18.214 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.072 0.851 -15.424 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.170 -0.128 -16.377 1.00 0.00 H new ATOM 0 HD2 HIS A 94 12.172 3.338 -15.452 1.00 0.00 H new ATOM 0 HE1 HIS A 94 13.123 3.549 -19.581 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.119 4.822 -17.376 1.00 0.00 H new ATOM 1433 N GLY A 95 9.230 -0.957 -15.256 1.00 0.00 N ATOM 1434 CA GLY A 95 8.675 -2.049 -14.479 1.00 0.00 C ATOM 1435 C GLY A 95 8.455 -1.675 -13.027 1.00 0.00 C ATOM 1436 O GLY A 95 8.633 -0.524 -12.627 1.00 0.00 O ATOM 0 H GLY A 95 9.273 -0.063 -14.768 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.727 -2.358 -14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.346 -2.906 -14.532 1.00 0.00 H new ATOM 1440 N PRO A 96 8.056 -2.662 -12.211 1.00 0.00 N ATOM 1441 CA PRO A 96 7.802 -2.454 -10.782 1.00 0.00 C ATOM 1442 C PRO A 96 9.083 -2.190 -9.998 1.00 0.00 C ATOM 1443 O PRO A 96 10.042 -2.955 -10.081 1.00 0.00 O ATOM 1444 CB PRO A 96 7.166 -3.774 -10.339 1.00 0.00 C ATOM 1445 CG PRO A 96 7.672 -4.783 -11.312 1.00 0.00 C ATOM 1446 CD PRO A 96 7.824 -4.057 -12.620 1.00 0.00 C ATOM 0 HA PRO A 96 7.174 -1.581 -10.602 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.453 -4.029 -9.319 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.078 -3.716 -10.359 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.625 -5.199 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.976 -5.617 -11.407 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.658 -4.449 -13.203 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.931 -4.151 -13.238 1.00 0.00 H new ATOM 1454 N GLY A 97 9.090 -1.100 -9.236 1.00 0.00 N ATOM 1455 CA GLY A 97 10.259 -0.755 -8.447 1.00 0.00 C ATOM 1456 C GLY A 97 10.166 -1.261 -7.021 1.00 0.00 C ATOM 1457 O GLY A 97 9.431 -2.207 -6.737 1.00 0.00 O ATOM 0 H GLY A 97 8.308 -0.450 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.148 -1.172 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.381 0.328 -8.438 1.00 0.00 H new ATOM 1461 N VAL A 98 10.914 -0.631 -6.121 1.00 0.00 N ATOM 1462 CA VAL A 98 10.913 -1.023 -4.717 1.00 0.00 C ATOM 1463 C VAL A 98 9.492 -1.120 -4.174 1.00 0.00 C ATOM 1464 O VAL A 98 8.528 -0.797 -4.868 1.00 0.00 O ATOM 1465 CB VAL A 98 11.713 -0.027 -3.856 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.193 -0.091 -4.201 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.175 1.385 -4.037 1.00 0.00 C ATOM 0 H VAL A 98 11.529 0.153 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 98 11.387 -2.003 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 98 11.597 -0.304 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.742 0.619 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.567 -1.098 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.333 0.160 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.752 2.076 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.259 1.675 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.128 1.417 -3.735 1.00 0.00 H new ATOM 1477 N SER A 99 9.370 -1.567 -2.928 1.00 0.00 N ATOM 1478 CA SER A 99 8.065 -1.710 -2.292 1.00 0.00 C ATOM 1479 C SER A 99 8.075 -1.107 -0.891 1.00 0.00 C ATOM 1480 O SER A 99 8.817 -1.552 -0.015 1.00 0.00 O ATOM 1481 CB SER A 99 7.668 -3.186 -2.222 1.00 0.00 C ATOM 1482 OG SER A 99 6.328 -3.333 -1.785 1.00 0.00 O ATOM 0 H SER A 99 10.158 -1.836 -2.339 1.00 0.00 H new ATOM 0 HA SER A 99 7.333 -1.172 -2.895 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.786 -3.645 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.336 -3.714 -1.541 1.00 0.00 H new ATOM 0 HG SER A 99 6.318 -3.564 -0.833 1.00 0.00 H new ATOM 1488 N THR A 100 7.244 -0.090 -0.686 1.00 0.00 N ATOM 1489 CA THR A 100 7.157 0.577 0.608 1.00 0.00 C ATOM 1490 C THR A 100 6.815 -0.414 1.714 1.00 0.00 C ATOM 1491 O THR A 100 6.272 -1.492 1.470 1.00 0.00 O ATOM 1492 CB THR A 100 6.099 1.697 0.592 1.00 0.00 C ATOM 1493 OG1 THR A 100 5.002 1.323 -0.249 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.701 3.003 0.097 1.00 0.00 C ATOM 0 H THR A 100 6.622 0.290 -1.399 1.00 0.00 H new ATOM 0 HA THR A 100 8.136 1.015 0.806 1.00 0.00 H new ATOM 0 HB THR A 100 5.742 1.843 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.193 1.587 -1.173 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.935 3.779 0.094 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.517 3.300 0.756 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.083 2.867 -0.915 1.00 0.00 H new ATOM 1502 N PRO A 101 7.138 -0.043 2.962 1.00 0.00 N ATOM 1503 CA PRO A 101 6.873 -0.886 4.132 1.00 0.00 C ATOM 1504 C PRO A 101 5.385 -0.992 4.445 1.00 0.00 C ATOM 1505 O PRO A 101 4.676 0.014 4.484 1.00 0.00 O ATOM 1506 CB PRO A 101 7.607 -0.162 5.264 1.00 0.00 C ATOM 1507 CG PRO A 101 7.670 1.261 4.826 1.00 0.00 C ATOM 1508 CD PRO A 101 7.787 1.228 3.327 1.00 0.00 C ATOM 0 HA PRO A 101 7.205 -1.913 3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.073 -0.262 6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.605 -0.574 5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.777 1.805 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.524 1.769 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.288 2.081 2.866 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.828 1.255 3.004 1.00 0.00 H new ATOM 1516 N ASP A 102 4.917 -2.216 4.666 1.00 0.00 N ATOM 1517 CA ASP A 102 3.512 -2.453 4.977 1.00 0.00 C ATOM 1518 C ASP A 102 3.016 -1.470 6.033 1.00 0.00 C ATOM 1519 O ASP A 102 3.761 -1.079 6.931 1.00 0.00 O ATOM 1520 CB ASP A 102 3.311 -3.889 5.464 1.00 0.00 C ATOM 1521 CG ASP A 102 4.049 -4.899 4.608 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.817 -4.920 3.382 1.00 0.00 O ATOM 1523 OD2 ASP A 102 4.859 -5.670 5.165 1.00 0.00 O ATOM 0 H ASP A 102 5.490 -3.059 4.636 1.00 0.00 H new ATOM 0 HA ASP A 102 2.933 -2.302 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.654 -3.971 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.247 -4.124 5.463 1.00 0.00 H new ATOM 1528 N VAL A 103 1.752 -1.074 5.917 1.00 0.00 N ATOM 1529 CA VAL A 103 1.156 -0.137 6.862 1.00 0.00 C ATOM 1530 C VAL A 103 -0.171 -0.664 7.395 1.00 0.00 C ATOM 1531 O VAL A 103 -1.240 -0.267 6.933 1.00 0.00 O ATOM 1532 CB VAL A 103 0.924 1.241 6.214 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.272 2.194 7.204 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.236 1.813 5.696 1.00 0.00 C ATOM 0 H VAL A 103 1.122 -1.387 5.179 1.00 0.00 H new ATOM 0 HA VAL A 103 1.859 -0.029 7.688 1.00 0.00 H new ATOM 0 HB VAL A 103 0.248 1.116 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.116 3.162 6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.688 1.787 7.522 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.920 2.316 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.054 2.787 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.936 1.924 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.658 1.138 4.952 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.095 -1.563 8.372 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.290 -2.143 8.971 1.00 0.00 C ATOM 1546 C ALA A 104 -2.040 -1.113 9.809 1.00 0.00 C ATOM 1547 O ALA A 104 -1.437 -0.367 10.579 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.922 -3.350 9.821 1.00 0.00 C ATOM 0 H ALA A 104 0.782 -1.905 8.765 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.949 -2.467 8.165 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.824 -3.773 10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.437 -4.100 9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.240 -3.042 10.614 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.360 -1.078 9.653 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.193 -0.139 10.395 1.00 0.00 C ATOM 1556 C VAL A 105 -5.540 -0.759 10.748 1.00 0.00 C ATOM 1557 O VAL A 105 -6.092 -1.547 9.980 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.429 1.156 9.595 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.272 0.874 8.361 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -5.088 2.210 10.472 1.00 0.00 C ATOM 0 H VAL A 105 -3.875 -1.689 9.019 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.657 0.103 11.313 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.464 1.542 9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.429 1.800 7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.757 0.154 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.236 0.465 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.248 3.119 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.047 1.836 10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.443 2.431 11.322 1.00 0.00 H new ATOM 1570 N ARG A 106 -6.064 -0.398 11.914 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.348 -0.920 12.369 1.00 0.00 C ATOM 1572 C ARG A 106 -8.466 0.085 12.108 1.00 0.00 C ATOM 1573 O ARG A 106 -8.338 1.269 12.420 1.00 0.00 O ATOM 1574 CB ARG A 106 -7.286 -1.255 13.860 1.00 0.00 C ATOM 1575 CG ARG A 106 -8.266 -2.337 14.282 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.237 -2.560 15.786 1.00 0.00 C ATOM 1577 NE ARG A 106 -7.052 -3.304 16.206 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.990 -4.016 17.326 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -8.039 -4.080 18.134 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.876 -4.665 17.640 1.00 0.00 N ATOM 0 H ARG A 106 -5.620 0.254 12.561 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.562 -1.830 11.808 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -6.275 -1.575 14.110 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.486 -0.351 14.435 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.273 -2.057 13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.024 -3.268 13.770 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.260 -1.597 16.296 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.132 -3.103 16.089 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.227 -3.275 15.607 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.897 -3.582 17.897 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.988 -4.627 18.993 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.066 -4.617 17.021 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.829 -5.211 18.500 1.00 0.00 H new ATOM 1594 N THR A 107 -9.565 -0.396 11.534 1.00 0.00 N ATOM 1595 CA THR A 107 -10.705 0.459 11.230 1.00 0.00 C ATOM 1596 C THR A 107 -11.500 0.785 12.489 1.00 0.00 C ATOM 1597 O THR A 107 -11.373 0.105 13.509 1.00 0.00 O ATOM 1598 CB THR A 107 -11.643 -0.201 10.201 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.882 -1.566 10.560 1.00 0.00 O ATOM 1600 CG2 THR A 107 -11.044 -0.136 8.804 1.00 0.00 C ATOM 0 H THR A 107 -9.689 -1.374 11.271 1.00 0.00 H new ATOM 0 HA THR A 107 -10.305 1.381 10.808 1.00 0.00 H new ATOM 0 HB THR A 107 -12.587 0.344 10.201 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.581 -1.939 9.983 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.724 -0.608 8.094 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.891 0.906 8.522 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.088 -0.659 8.793 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.319 1.827 12.412 1.00 0.00 N ATOM 1609 CA LEU A 108 -13.136 2.243 13.547 1.00 0.00 C ATOM 1610 C LEU A 108 -14.159 1.169 13.904 1.00 0.00 C ATOM 1611 O LEU A 108 -14.588 0.397 13.047 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.850 3.559 13.232 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.961 4.706 12.753 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.803 5.923 12.400 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.928 5.059 13.813 1.00 0.00 C ATOM 0 H LEU A 108 -12.436 2.400 11.576 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.477 2.390 14.403 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.604 3.367 12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.379 3.885 14.127 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.435 4.381 11.855 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.153 6.729 12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.503 5.663 11.606 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.357 6.249 13.280 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.304 5.878 13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.435 5.364 14.728 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.304 4.189 14.017 1.00 0.00 H new ATOM 1627 N SER A 109 -14.548 1.128 15.175 1.00 0.00 N ATOM 1628 CA SER A 109 -15.519 0.148 15.646 1.00 0.00 C ATOM 1629 C SER A 109 -16.925 0.741 15.661 1.00 0.00 C ATOM 1630 O SER A 109 -17.213 1.664 16.422 1.00 0.00 O ATOM 1631 CB SER A 109 -15.145 -0.341 17.046 1.00 0.00 C ATOM 1632 OG SER A 109 -15.386 0.662 18.018 1.00 0.00 O ATOM 0 H SER A 109 -14.205 1.762 15.896 1.00 0.00 H new ATOM 0 HA SER A 109 -15.507 -0.698 14.959 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.722 -1.233 17.289 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.093 -0.626 17.066 1.00 0.00 H new ATOM 0 HG SER A 109 -15.887 1.399 17.610 1.00 0.00 H new