USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 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 53 GLN : amide:sc=-0.00501 K(o=-5.6,f=-0.67) USER MOD Set 1.2: A 99 GLN : amide:sc= -4.2! K(o=-5.6!,f=-0.67) USER MOD Set 1.3: A 102 TYR OH : rot 180:sc= -1.43! USER MOD Set 2.1: A 35 LYS NZ :NH3+ 166:sc= 0.915 (180deg=0.806) USER MOD Set 2.2: A 75 MET CE :methyl -149:sc= -0.283 (180deg=-1.17) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 THR OG1 : rot 180:sc= -1 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.03 K(o=-2,f=-0.7) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0714 X(o=-0.071,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.624 X(o=-0.62,f=-0.35) USER MOD Single : A 52 TYR OH : rot 155:sc= -0.929 USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -0.299 (180deg=-1.59!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= -1.03 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 73 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.062) USER MOD Single : A 74 THR OG1 : rot 146:sc= 1.15 USER MOD Single : A 79 ASN : amide:sc= -1.99! K(o=-2!,f=-0.85) USER MOD Single : A 80 ASN : amide:sc= -0.108 X(o=-0.11,f=0.11) USER MOD Single : A 84 ASN : amide:sc= -0.966 K(o=-0.97,f=-3.3!) USER MOD Single : A 85 THR OG1 : rot 62:sc= 0.291 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 28:sc= -0.728 USER MOD Single : A 95 ASN : amide:sc= -9.21! C(o=-9.2!,f=-15!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -83:sc= 0.74 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -173:sc= 1.93 USER MOD ----------------------------------------------------------------- ATOM 208 N VAL A 17 -12.789 -12.326 2.232 1.00 0.00 N ATOM 209 CA VAL A 17 -12.116 -11.105 1.804 1.00 0.00 C ATOM 210 C VAL A 17 -10.635 -11.357 1.542 1.00 0.00 C ATOM 211 O VAL A 17 -10.038 -12.298 2.066 1.00 0.00 O ATOM 212 CB VAL A 17 -12.258 -9.988 2.854 1.00 0.00 C ATOM 213 CG1 VAL A 17 -13.524 -9.182 2.608 1.00 0.00 C ATOM 214 CG2 VAL A 17 -12.254 -10.574 4.258 1.00 0.00 C ATOM 0 HA VAL A 17 -12.597 -10.786 0.879 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.405 -9.316 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.608 -8.397 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.482 -8.732 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.392 -9.839 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.355 -9.771 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.087 -11.268 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.317 -11.103 4.429 1.00 0.00 H new ATOM 224 N PRO A 18 -10.026 -10.496 0.714 1.00 0.00 N ATOM 225 CA PRO A 18 -8.605 -10.602 0.366 1.00 0.00 C ATOM 226 C PRO A 18 -7.693 -10.269 1.543 1.00 0.00 C ATOM 227 O PRO A 18 -8.017 -9.417 2.369 1.00 0.00 O ATOM 228 CB PRO A 18 -8.436 -9.570 -0.751 1.00 0.00 C ATOM 229 CG PRO A 18 -9.520 -8.575 -0.516 1.00 0.00 C ATOM 230 CD PRO A 18 -10.675 -9.350 0.055 1.00 0.00 C ATOM 0 HA PRO A 18 -8.331 -11.616 0.073 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.453 -9.101 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.529 -10.032 -1.734 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.193 -7.797 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.803 -8.079 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.249 -8.752 0.763 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.366 -9.673 -0.724 1.00 0.00 H new ATOM 238 N SER A 19 -6.551 -10.947 1.610 1.00 0.00 N ATOM 239 CA SER A 19 -5.594 -10.726 2.687 1.00 0.00 C ATOM 240 C SER A 19 -4.804 -9.441 2.455 1.00 0.00 C ATOM 241 O SER A 19 -4.904 -8.820 1.397 1.00 0.00 O ATOM 242 CB SER A 19 -4.636 -11.913 2.799 1.00 0.00 C ATOM 243 OG SER A 19 -3.991 -11.931 4.061 1.00 0.00 O ATOM 0 H SER A 19 -6.267 -11.653 0.931 1.00 0.00 H new ATOM 0 HA SER A 19 -6.150 -10.628 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.186 -12.843 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.890 -11.858 2.006 1.00 0.00 H new ATOM 0 HG SER A 19 -3.385 -12.700 4.108 1.00 0.00 H new ATOM 249 N SER A 20 -4.019 -9.048 3.454 1.00 0.00 N ATOM 250 CA SER A 20 -3.214 -7.836 3.361 1.00 0.00 C ATOM 251 C SER A 20 -2.083 -8.010 2.353 1.00 0.00 C ATOM 252 O SER A 20 -1.479 -9.076 2.236 1.00 0.00 O ATOM 253 CB SER A 20 -2.638 -7.476 4.732 1.00 0.00 C ATOM 254 OG SER A 20 -1.935 -8.570 5.294 1.00 0.00 O ATOM 0 H SER A 20 -3.924 -9.551 4.336 1.00 0.00 H new ATOM 0 HA SER A 20 -3.859 -7.026 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.969 -6.621 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.444 -7.176 5.401 1.00 0.00 H new ATOM 0 HG SER A 20 -1.576 -8.313 6.169 1.00 0.00 H new ATOM 260 N PRO A 21 -1.790 -6.937 1.603 1.00 0.00 N ATOM 261 CA PRO A 21 -0.730 -6.944 0.590 1.00 0.00 C ATOM 262 C PRO A 21 0.662 -7.015 1.208 1.00 0.00 C ATOM 263 O PRO A 21 0.811 -7.004 2.431 1.00 0.00 O ATOM 264 CB PRO A 21 -0.924 -5.611 -0.136 1.00 0.00 C ATOM 265 CG PRO A 21 -1.596 -4.731 0.860 1.00 0.00 C ATOM 266 CD PRO A 21 -2.469 -5.633 1.688 1.00 0.00 C ATOM 0 HA PRO A 21 -0.796 -7.814 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.030 -5.191 -0.455 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.534 -5.733 -1.031 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.864 -4.217 1.483 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.189 -3.962 0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.543 -5.285 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.484 -5.682 1.294 1.00 0.00 H new ATOM 274 N TYR A 22 1.679 -7.090 0.358 1.00 0.00 N ATOM 275 CA TYR A 22 3.059 -7.165 0.820 1.00 0.00 C ATOM 276 C TYR A 22 4.003 -6.480 -0.164 1.00 0.00 C ATOM 277 O TYR A 22 3.625 -6.179 -1.296 1.00 0.00 O ATOM 278 CB TYR A 22 3.476 -8.624 1.010 1.00 0.00 C ATOM 279 CG TYR A 22 3.309 -9.469 -0.233 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.081 -10.035 -0.552 1.00 0.00 C ATOM 281 CD2 TYR A 22 4.379 -9.701 -1.088 1.00 0.00 C ATOM 282 CE1 TYR A 22 1.924 -10.808 -1.686 1.00 0.00 C ATOM 283 CE2 TYR A 22 4.231 -10.471 -2.226 1.00 0.00 C ATOM 284 CZ TYR A 22 3.001 -11.023 -2.520 1.00 0.00 C ATOM 285 OH TYR A 22 2.850 -11.792 -3.651 1.00 0.00 O ATOM 0 H TYR A 22 1.573 -7.100 -0.656 1.00 0.00 H new ATOM 0 HA TYR A 22 3.123 -6.647 1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.519 -8.657 1.324 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.887 -9.059 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.235 -9.868 0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.343 -9.272 -0.859 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.963 -11.242 -1.918 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.073 -10.640 -2.881 1.00 0.00 H new ATOM 0 HH TYR A 22 3.704 -11.843 -4.128 1.00 0.00 H new ATOM 295 N GLY A 23 5.232 -6.234 0.277 1.00 0.00 N ATOM 296 CA GLY A 23 6.212 -5.586 -0.575 1.00 0.00 C ATOM 297 C GLY A 23 6.112 -4.075 -0.527 1.00 0.00 C ATOM 298 O GLY A 23 7.045 -3.371 -0.914 1.00 0.00 O ATOM 0 H GLY A 23 5.567 -6.472 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.213 -5.891 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.076 -5.924 -1.602 1.00 0.00 H new ATOM 302 N VAL A 24 4.975 -3.573 -0.054 1.00 0.00 N ATOM 303 CA VAL A 24 4.757 -2.134 0.042 1.00 0.00 C ATOM 304 C VAL A 24 6.034 -1.411 0.452 1.00 0.00 C ATOM 305 O VAL A 24 6.539 -1.597 1.560 1.00 0.00 O ATOM 306 CB VAL A 24 3.644 -1.803 1.056 1.00 0.00 C ATOM 307 CG1 VAL A 24 3.715 -2.739 2.252 1.00 0.00 C ATOM 308 CG2 VAL A 24 3.743 -0.351 1.498 1.00 0.00 C ATOM 0 H VAL A 24 4.191 -4.141 0.268 1.00 0.00 H new ATOM 0 HA VAL A 24 4.452 -1.792 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 24 2.679 -1.947 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.922 -2.490 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.592 -3.769 1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.683 -2.631 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.950 -0.134 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.712 -0.179 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.638 0.301 0.631 1.00 0.00 H new ATOM 318 N LYS A 25 6.552 -0.582 -0.448 1.00 0.00 N ATOM 319 CA LYS A 25 7.771 0.173 -0.181 1.00 0.00 C ATOM 320 C LYS A 25 7.775 1.489 -0.952 1.00 0.00 C ATOM 321 O LYS A 25 7.330 1.548 -2.099 1.00 0.00 O ATOM 322 CB LYS A 25 9.001 -0.655 -0.557 1.00 0.00 C ATOM 323 CG LYS A 25 8.883 -1.343 -1.905 1.00 0.00 C ATOM 324 CD LYS A 25 9.411 -0.465 -3.028 1.00 0.00 C ATOM 325 CE LYS A 25 9.928 -1.298 -4.191 1.00 0.00 C ATOM 326 NZ LYS A 25 11.289 -1.840 -3.923 1.00 0.00 N ATOM 0 H LYS A 25 6.147 -0.416 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 25 7.804 0.397 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.877 -0.006 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.170 -1.408 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.437 -2.282 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.839 -1.592 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.618 0.197 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.212 0.170 -2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.240 -2.122 -4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.952 -0.687 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.606 -2.402 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.951 -1.054 -3.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.262 -2.444 -3.077 1.00 0.00 H new ATOM 340 N ILE A 26 8.282 2.540 -0.317 1.00 0.00 N ATOM 341 CA ILE A 26 8.347 3.854 -0.945 1.00 0.00 C ATOM 342 C ILE A 26 9.542 3.955 -1.886 1.00 0.00 C ATOM 343 O ILE A 26 10.693 3.916 -1.449 1.00 0.00 O ATOM 344 CB ILE A 26 8.437 4.977 0.104 1.00 0.00 C ATOM 345 CG1 ILE A 26 7.390 4.765 1.200 1.00 0.00 C ATOM 346 CG2 ILE A 26 8.254 6.335 -0.556 1.00 0.00 C ATOM 347 CD1 ILE A 26 5.969 4.742 0.682 1.00 0.00 C ATOM 0 H ILE A 26 8.654 2.507 0.632 1.00 0.00 H new ATOM 0 HA ILE A 26 7.427 3.976 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 26 9.426 4.949 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.597 3.825 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.485 5.559 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.320 7.118 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.033 6.484 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.277 6.377 -1.037 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.281 4.588 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.744 5.691 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.857 3.930 -0.037 1.00 0.00 H new ATOM 359 N ILE A 27 9.262 4.087 -3.178 1.00 0.00 N ATOM 360 CA ILE A 27 10.315 4.197 -4.180 1.00 0.00 C ATOM 361 C ILE A 27 10.629 5.657 -4.491 1.00 0.00 C ATOM 362 O ILE A 27 11.792 6.045 -4.587 1.00 0.00 O ATOM 363 CB ILE A 27 9.928 3.478 -5.486 1.00 0.00 C ATOM 364 CG1 ILE A 27 8.590 4.009 -6.008 1.00 0.00 C ATOM 365 CG2 ILE A 27 9.856 1.976 -5.261 1.00 0.00 C ATOM 366 CD1 ILE A 27 8.159 3.381 -7.314 1.00 0.00 C ATOM 0 H ILE A 27 8.315 4.120 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 27 11.200 3.719 -3.760 1.00 0.00 H new ATOM 0 HB ILE A 27 10.694 3.677 -6.235 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.820 3.831 -5.257 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.663 5.088 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.581 1.481 -6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.828 1.611 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.107 1.758 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.204 3.805 -7.624 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.909 3.581 -8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.053 2.304 -7.182 1.00 0.00 H new ATOM 378 N GLU A 28 9.581 6.462 -4.643 1.00 0.00 N ATOM 379 CA GLU A 28 9.745 7.880 -4.941 1.00 0.00 C ATOM 380 C GLU A 28 9.077 8.742 -3.874 1.00 0.00 C ATOM 381 O GLU A 28 7.863 8.947 -3.896 1.00 0.00 O ATOM 382 CB GLU A 28 9.158 8.205 -6.316 1.00 0.00 C ATOM 383 CG GLU A 28 9.861 7.497 -7.461 1.00 0.00 C ATOM 384 CD GLU A 28 9.793 8.277 -8.760 1.00 0.00 C ATOM 385 OE1 GLU A 28 10.479 9.316 -8.864 1.00 0.00 O ATOM 386 OE2 GLU A 28 9.054 7.849 -9.671 1.00 0.00 O ATOM 0 H GLU A 28 8.611 6.156 -4.565 1.00 0.00 H new ATOM 0 HA GLU A 28 10.812 8.103 -4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.103 7.932 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.210 9.281 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.905 7.332 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.411 6.515 -7.607 1.00 0.00 H new ATOM 393 N LEU A 29 9.878 9.241 -2.939 1.00 0.00 N ATOM 394 CA LEU A 29 9.366 10.081 -1.861 1.00 0.00 C ATOM 395 C LEU A 29 9.756 11.539 -2.075 1.00 0.00 C ATOM 396 O LEU A 29 10.875 11.838 -2.490 1.00 0.00 O ATOM 397 CB LEU A 29 9.895 9.591 -0.512 1.00 0.00 C ATOM 398 CG LEU A 29 9.668 10.525 0.677 1.00 0.00 C ATOM 399 CD1 LEU A 29 8.203 10.521 1.087 1.00 0.00 C ATOM 400 CD2 LEU A 29 10.553 10.124 1.848 1.00 0.00 C ATOM 0 H LEU A 29 10.884 9.079 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 29 8.278 10.012 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.429 8.631 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.966 9.411 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 29 9.937 11.537 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.061 11.191 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.590 10.858 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.907 9.511 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.378 10.800 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.317 9.104 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.600 10.181 1.549 1.00 0.00 H new ATOM 412 N SER A 30 8.826 12.444 -1.785 1.00 0.00 N ATOM 413 CA SER A 30 9.072 13.872 -1.947 1.00 0.00 C ATOM 414 C SER A 30 8.687 14.636 -0.684 1.00 0.00 C ATOM 415 O SER A 30 8.185 14.054 0.278 1.00 0.00 O ATOM 416 CB SER A 30 8.288 14.414 -3.143 1.00 0.00 C ATOM 417 OG SER A 30 8.638 13.730 -4.334 1.00 0.00 O ATOM 0 H SER A 30 7.895 12.213 -1.437 1.00 0.00 H new ATOM 0 HA SER A 30 10.138 14.014 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.219 14.308 -2.959 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.487 15.479 -3.260 1.00 0.00 H new ATOM 0 HG SER A 30 8.122 14.094 -5.084 1.00 0.00 H new ATOM 423 N GLN A 31 8.927 15.943 -0.694 1.00 0.00 N ATOM 424 CA GLN A 31 8.607 16.788 0.451 1.00 0.00 C ATOM 425 C GLN A 31 7.097 16.946 0.605 1.00 0.00 C ATOM 426 O GLN A 31 6.593 17.149 1.710 1.00 0.00 O ATOM 427 CB GLN A 31 9.263 18.161 0.298 1.00 0.00 C ATOM 428 CG GLN A 31 9.431 18.597 -1.148 1.00 0.00 C ATOM 429 CD GLN A 31 10.804 18.265 -1.701 1.00 0.00 C ATOM 430 OE1 GLN A 31 10.928 17.716 -2.797 1.00 0.00 O ATOM 431 NE2 GLN A 31 11.843 18.599 -0.946 1.00 0.00 N ATOM 0 H GLN A 31 9.342 16.440 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 31 8.997 16.306 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.662 18.902 0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 31 10.241 18.143 0.779 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.670 18.113 -1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.264 19.672 -1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.694 19.052 -0.045 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.791 18.402 -1.267 1.00 0.00 H new ATOM 440 N THR A 32 6.381 16.853 -0.511 1.00 0.00 N ATOM 441 CA THR A 32 4.930 16.989 -0.501 1.00 0.00 C ATOM 442 C THR A 32 4.259 15.758 -1.100 1.00 0.00 C ATOM 443 O THR A 32 3.140 15.403 -0.727 1.00 0.00 O ATOM 444 CB THR A 32 4.476 18.236 -1.281 1.00 0.00 C ATOM 445 OG1 THR A 32 4.982 18.189 -2.619 1.00 0.00 O ATOM 446 CG2 THR A 32 4.958 19.508 -0.597 1.00 0.00 C ATOM 0 H THR A 32 6.783 16.684 -1.433 1.00 0.00 H new ATOM 0 HA THR A 32 4.630 17.093 0.542 1.00 0.00 H new ATOM 0 HB THR A 32 3.386 18.244 -1.305 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.687 18.985 -3.108 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.625 20.376 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.548 19.557 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.047 19.503 -0.546 1.00 0.00 H new ATOM 454 N THR A 33 4.950 15.107 -2.031 1.00 0.00 N ATOM 455 CA THR A 33 4.420 13.916 -2.682 1.00 0.00 C ATOM 456 C THR A 33 5.132 12.659 -2.193 1.00 0.00 C ATOM 457 O THR A 33 6.282 12.716 -1.756 1.00 0.00 O ATOM 458 CB THR A 33 4.556 14.005 -4.214 1.00 0.00 C ATOM 459 OG1 THR A 33 5.714 14.774 -4.559 1.00 0.00 O ATOM 460 CG2 THR A 33 3.319 14.637 -4.831 1.00 0.00 C ATOM 0 H THR A 33 5.878 15.385 -2.351 1.00 0.00 H new ATOM 0 HA THR A 33 3.363 13.857 -2.421 1.00 0.00 H new ATOM 0 HB THR A 33 4.662 12.994 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.794 14.824 -5.534 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.438 14.689 -5.913 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.444 14.033 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.187 15.643 -4.432 1.00 0.00 H new ATOM 468 N ALA A 34 4.442 11.526 -2.269 1.00 0.00 N ATOM 469 CA ALA A 34 5.009 10.255 -1.835 1.00 0.00 C ATOM 470 C ALA A 34 4.390 9.089 -2.597 1.00 0.00 C ATOM 471 O ALA A 34 3.193 8.824 -2.482 1.00 0.00 O ATOM 472 CB ALA A 34 4.814 10.073 -0.337 1.00 0.00 C ATOM 0 H ALA A 34 3.489 11.462 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 34 6.077 10.270 -2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.242 9.120 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.311 10.884 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.749 10.085 -0.105 1.00 0.00 H new ATOM 478 N LYS A 35 5.212 8.395 -3.377 1.00 0.00 N ATOM 479 CA LYS A 35 4.745 7.255 -4.158 1.00 0.00 C ATOM 480 C LYS A 35 5.015 5.945 -3.426 1.00 0.00 C ATOM 481 O LYS A 35 6.129 5.700 -2.960 1.00 0.00 O ATOM 482 CB LYS A 35 5.429 7.236 -5.528 1.00 0.00 C ATOM 483 CG LYS A 35 4.823 6.233 -6.495 1.00 0.00 C ATOM 484 CD LYS A 35 5.642 6.123 -7.770 1.00 0.00 C ATOM 485 CE LYS A 35 5.375 7.291 -8.708 1.00 0.00 C ATOM 486 NZ LYS A 35 6.240 7.239 -9.919 1.00 0.00 N ATOM 0 H LYS A 35 6.205 8.602 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 35 3.669 7.358 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.372 8.232 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.486 7.006 -5.394 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.761 5.256 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.804 6.533 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.703 6.091 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.405 5.187 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.328 7.283 -9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.547 8.228 -8.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.875 7.899 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.212 7.508 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.238 6.273 -10.305 1.00 0.00 H new ATOM 500 N VAL A 36 3.989 5.105 -3.326 1.00 0.00 N ATOM 501 CA VAL A 36 4.117 3.819 -2.651 1.00 0.00 C ATOM 502 C VAL A 36 3.801 2.667 -3.600 1.00 0.00 C ATOM 503 O VAL A 36 2.746 2.646 -4.235 1.00 0.00 O ATOM 504 CB VAL A 36 3.187 3.733 -1.428 1.00 0.00 C ATOM 505 CG1 VAL A 36 1.786 4.205 -1.786 1.00 0.00 C ATOM 506 CG2 VAL A 36 3.155 2.312 -0.883 1.00 0.00 C ATOM 0 H VAL A 36 3.060 5.292 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 36 5.151 3.737 -2.317 1.00 0.00 H new ATOM 0 HB VAL A 36 3.578 4.389 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.144 4.137 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.827 5.240 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.383 3.577 -2.581 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.493 2.269 -0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.789 1.635 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.160 2.014 -0.585 1.00 0.00 H new ATOM 516 N SER A 37 4.719 1.712 -3.689 1.00 0.00 N ATOM 517 CA SER A 37 4.540 0.558 -4.562 1.00 0.00 C ATOM 518 C SER A 37 4.412 -0.725 -3.748 1.00 0.00 C ATOM 519 O SER A 37 5.243 -1.012 -2.884 1.00 0.00 O ATOM 520 CB SER A 37 5.712 0.442 -5.538 1.00 0.00 C ATOM 521 OG SER A 37 5.645 -0.766 -6.275 1.00 0.00 O ATOM 0 H SER A 37 5.595 1.714 -3.167 1.00 0.00 H new ATOM 0 HA SER A 37 3.619 0.702 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.704 1.290 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.652 0.485 -4.988 1.00 0.00 H new ATOM 0 HG SER A 37 6.404 -0.815 -6.893 1.00 0.00 H new ATOM 527 N PHE A 38 3.365 -1.495 -4.027 1.00 0.00 N ATOM 528 CA PHE A 38 3.127 -2.748 -3.320 1.00 0.00 C ATOM 529 C PHE A 38 2.662 -3.837 -4.284 1.00 0.00 C ATOM 530 O PHE A 38 2.462 -3.585 -5.471 1.00 0.00 O ATOM 531 CB PHE A 38 2.083 -2.546 -2.219 1.00 0.00 C ATOM 532 CG PHE A 38 0.853 -1.823 -2.686 1.00 0.00 C ATOM 533 CD1 PHE A 38 0.781 -0.441 -2.628 1.00 0.00 C ATOM 534 CD2 PHE A 38 -0.234 -2.527 -3.181 1.00 0.00 C ATOM 535 CE1 PHE A 38 -0.350 0.228 -3.057 1.00 0.00 C ATOM 536 CE2 PHE A 38 -1.368 -1.863 -3.611 1.00 0.00 C ATOM 537 CZ PHE A 38 -1.427 -0.484 -3.547 1.00 0.00 C ATOM 0 H PHE A 38 2.668 -1.273 -4.738 1.00 0.00 H new ATOM 0 HA PHE A 38 4.066 -3.065 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.794 -3.518 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.534 -1.987 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.619 0.121 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.195 -3.605 -3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.391 1.306 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.208 -2.422 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 38 -2.313 0.036 -3.879 1.00 0.00 H new ATOM 547 N ASN A 39 2.493 -5.047 -3.762 1.00 0.00 N ATOM 548 CA ASN A 39 2.054 -6.175 -4.575 1.00 0.00 C ATOM 549 C ASN A 39 0.695 -6.687 -4.106 1.00 0.00 C ATOM 550 O ASN A 39 0.190 -6.274 -3.062 1.00 0.00 O ATOM 551 CB ASN A 39 3.084 -7.304 -4.519 1.00 0.00 C ATOM 552 CG ASN A 39 4.473 -6.839 -4.908 1.00 0.00 C ATOM 553 OD1 ASN A 39 4.673 -6.283 -5.988 1.00 0.00 O ATOM 554 ND2 ASN A 39 5.442 -7.066 -4.029 1.00 0.00 N ATOM 0 H ASN A 39 2.653 -5.272 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 39 1.958 -5.832 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.111 -7.717 -3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.773 -8.109 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.398 -6.776 -4.237 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.231 -7.530 -3.146 1.00 0.00 H new ATOM 561 N LYS A 40 0.107 -7.589 -4.885 1.00 0.00 N ATOM 562 CA LYS A 40 -1.192 -8.160 -4.551 1.00 0.00 C ATOM 563 C LYS A 40 -1.055 -9.230 -3.473 1.00 0.00 C ATOM 564 O LYS A 40 -0.022 -9.888 -3.345 1.00 0.00 O ATOM 565 CB LYS A 40 -1.846 -8.758 -5.798 1.00 0.00 C ATOM 566 CG LYS A 40 -1.998 -7.768 -6.941 1.00 0.00 C ATOM 567 CD LYS A 40 -3.208 -8.090 -7.801 1.00 0.00 C ATOM 568 CE LYS A 40 -2.898 -9.184 -8.811 1.00 0.00 C ATOM 569 NZ LYS A 40 -2.410 -8.625 -10.102 1.00 0.00 N ATOM 0 H LYS A 40 0.511 -7.941 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.824 -7.360 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.251 -9.605 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.829 -9.146 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.094 -6.759 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.099 -7.781 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.035 -8.405 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.533 -7.191 -8.325 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.145 -9.856 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.794 -9.779 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.210 -9.402 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.138 -8.003 -10.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.541 -8.078 -9.937 1.00 0.00 H new ATOM 583 N PRO A 41 -2.120 -9.411 -2.678 1.00 0.00 N ATOM 584 CA PRO A 41 -2.143 -10.402 -1.599 1.00 0.00 C ATOM 585 C PRO A 41 -2.169 -11.833 -2.126 1.00 0.00 C ATOM 586 O PRO A 41 -2.749 -12.106 -3.178 1.00 0.00 O ATOM 587 CB PRO A 41 -3.440 -10.083 -0.852 1.00 0.00 C ATOM 588 CG PRO A 41 -4.310 -9.425 -1.867 1.00 0.00 C ATOM 589 CD PRO A 41 -3.384 -8.663 -2.773 1.00 0.00 C ATOM 0 HA PRO A 41 -1.251 -10.346 -0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.904 -10.988 -0.460 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.256 -9.425 -0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.884 -10.163 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.028 -8.757 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.758 -8.634 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.264 -7.630 -2.448 1.00 0.00 H new ATOM 652 N VAL A 47 -13.127 -14.183 -4.485 1.00 0.00 N ATOM 653 CA VAL A 47 -13.474 -13.268 -5.566 1.00 0.00 C ATOM 654 C VAL A 47 -12.285 -12.398 -5.954 1.00 0.00 C ATOM 655 O VAL A 47 -11.421 -12.083 -5.135 1.00 0.00 O ATOM 656 CB VAL A 47 -14.655 -12.359 -5.175 1.00 0.00 C ATOM 657 CG1 VAL A 47 -15.950 -13.157 -5.126 1.00 0.00 C ATOM 658 CG2 VAL A 47 -14.386 -11.682 -3.840 1.00 0.00 C ATOM 0 HA VAL A 47 -13.764 -13.882 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.762 -11.585 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.773 -12.498 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.147 -13.591 -6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.858 -13.954 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -15.230 -11.044 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -14.252 -12.440 -3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.483 -11.076 -3.915 1.00 0.00 H new ATOM 668 N PRO A 48 -12.237 -11.999 -7.234 1.00 0.00 N ATOM 669 CA PRO A 48 -11.157 -11.158 -7.761 1.00 0.00 C ATOM 670 C PRO A 48 -11.212 -9.735 -7.216 1.00 0.00 C ATOM 671 O PRO A 48 -12.290 -9.158 -7.070 1.00 0.00 O ATOM 672 CB PRO A 48 -11.408 -11.164 -9.270 1.00 0.00 C ATOM 673 CG PRO A 48 -12.866 -11.435 -9.411 1.00 0.00 C ATOM 674 CD PRO A 48 -13.232 -12.337 -8.265 1.00 0.00 C ATOM 0 HA PRO A 48 -10.173 -11.532 -7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.138 -10.209 -9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.813 -11.930 -9.767 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -13.440 -10.509 -9.378 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.084 -11.911 -10.367 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -14.249 -12.153 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.177 -13.388 -8.548 1.00 0.00 H new ATOM 682 N ILE A 49 -10.045 -9.175 -6.918 1.00 0.00 N ATOM 683 CA ILE A 49 -9.962 -7.818 -6.392 1.00 0.00 C ATOM 684 C ILE A 49 -10.421 -6.797 -7.427 1.00 0.00 C ATOM 685 O ILE A 49 -10.335 -7.037 -8.632 1.00 0.00 O ATOM 686 CB ILE A 49 -8.528 -7.474 -5.948 1.00 0.00 C ATOM 687 CG1 ILE A 49 -8.128 -8.321 -4.738 1.00 0.00 C ATOM 688 CG2 ILE A 49 -8.416 -5.992 -5.622 1.00 0.00 C ATOM 689 CD1 ILE A 49 -6.646 -8.285 -4.439 1.00 0.00 C ATOM 0 H ILE A 49 -9.144 -9.640 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.623 -7.774 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.846 -7.699 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.676 -7.971 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.430 -9.354 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.397 -5.764 -5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.664 -5.405 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.106 -5.744 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.435 -8.907 -3.569 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.092 -8.663 -5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.341 -7.259 -4.233 1.00 0.00 H new ATOM 701 N HIS A 50 -10.908 -5.656 -6.950 1.00 0.00 N ATOM 702 CA HIS A 50 -11.379 -4.596 -7.835 1.00 0.00 C ATOM 703 C HIS A 50 -10.434 -3.399 -7.798 1.00 0.00 C ATOM 704 O HIS A 50 -10.010 -2.897 -8.840 1.00 0.00 O ATOM 705 CB HIS A 50 -12.789 -4.160 -7.439 1.00 0.00 C ATOM 706 CG HIS A 50 -13.871 -4.952 -8.108 1.00 0.00 C ATOM 707 ND1 HIS A 50 -14.892 -5.566 -7.415 1.00 0.00 N ATOM 708 CD2 HIS A 50 -14.087 -5.227 -9.416 1.00 0.00 C ATOM 709 CE1 HIS A 50 -15.688 -6.186 -8.268 1.00 0.00 C ATOM 710 NE2 HIS A 50 -15.223 -5.994 -9.488 1.00 0.00 N ATOM 0 H HIS A 50 -10.987 -5.442 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.401 -4.988 -8.852 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.899 -4.251 -6.358 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.917 -3.106 -7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.479 -4.903 -10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.570 -6.754 -8.010 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.640 -6.357 -10.345 1.00 0.00 H new ATOM 719 N HIS A 51 -10.110 -2.944 -6.592 1.00 0.00 N ATOM 720 CA HIS A 51 -9.215 -1.804 -6.419 1.00 0.00 C ATOM 721 C HIS A 51 -8.513 -1.865 -5.066 1.00 0.00 C ATOM 722 O HIS A 51 -8.675 -2.826 -4.314 1.00 0.00 O ATOM 723 CB HIS A 51 -9.995 -0.494 -6.544 1.00 0.00 C ATOM 724 CG HIS A 51 -10.983 -0.277 -5.440 1.00 0.00 C ATOM 725 ND1 HIS A 51 -12.134 -1.023 -5.302 1.00 0.00 N ATOM 726 CD2 HIS A 51 -10.984 0.607 -4.415 1.00 0.00 C ATOM 727 CE1 HIS A 51 -12.803 -0.606 -4.242 1.00 0.00 C ATOM 728 NE2 HIS A 51 -12.126 0.383 -3.686 1.00 0.00 N ATOM 0 H HIS A 51 -10.453 -3.347 -5.720 1.00 0.00 H new ATOM 0 HA HIS A 51 -8.458 -1.844 -7.203 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.291 0.338 -6.559 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.521 -0.484 -7.498 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.228 1.350 -4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -13.743 -1.005 -3.890 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -12.406 0.897 -2.851 1.00 0.00 H new ATOM 737 N TYR A 52 -7.732 -0.834 -4.764 1.00 0.00 N ATOM 738 CA TYR A 52 -7.002 -0.772 -3.503 1.00 0.00 C ATOM 739 C TYR A 52 -7.332 0.510 -2.745 1.00 0.00 C ATOM 740 O TYR A 52 -7.611 1.546 -3.349 1.00 0.00 O ATOM 741 CB TYR A 52 -5.496 -0.855 -3.758 1.00 0.00 C ATOM 742 CG TYR A 52 -5.018 -2.243 -4.119 1.00 0.00 C ATOM 743 CD1 TYR A 52 -4.671 -3.158 -3.132 1.00 0.00 C ATOM 744 CD2 TYR A 52 -4.912 -2.639 -5.446 1.00 0.00 C ATOM 745 CE1 TYR A 52 -4.234 -4.427 -3.457 1.00 0.00 C ATOM 746 CE2 TYR A 52 -4.477 -3.907 -5.780 1.00 0.00 C ATOM 747 CZ TYR A 52 -4.139 -4.797 -4.782 1.00 0.00 C ATOM 748 OH TYR A 52 -3.703 -6.060 -5.112 1.00 0.00 O ATOM 0 H TYR A 52 -7.588 -0.030 -5.375 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.308 -1.622 -2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.234 -0.169 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.966 -0.518 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.744 -2.872 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.174 -1.944 -6.230 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.968 -5.126 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.402 -4.200 -6.817 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.053 -6.307 -5.993 1.00 0.00 H new ATOM 758 N GLN A 53 -7.297 0.432 -1.419 1.00 0.00 N ATOM 759 CA GLN A 53 -7.591 1.586 -0.578 1.00 0.00 C ATOM 760 C GLN A 53 -6.360 2.010 0.215 1.00 0.00 C ATOM 761 O GLN A 53 -5.797 1.222 0.976 1.00 0.00 O ATOM 762 CB GLN A 53 -8.743 1.267 0.377 1.00 0.00 C ATOM 763 CG GLN A 53 -9.506 2.496 0.842 1.00 0.00 C ATOM 764 CD GLN A 53 -10.938 2.182 1.232 1.00 0.00 C ATOM 765 OE1 GLN A 53 -11.680 1.565 0.467 1.00 0.00 O ATOM 766 NE2 GLN A 53 -11.333 2.605 2.426 1.00 0.00 N ATOM 0 H GLN A 53 -7.068 -0.418 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.884 2.411 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.435 0.585 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.348 0.744 1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.990 2.938 1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.505 3.242 0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.684 3.113 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.285 2.422 2.742 1.00 0.00 H new ATOM 775 N VAL A 54 -5.946 3.260 0.033 1.00 0.00 N ATOM 776 CA VAL A 54 -4.782 3.790 0.733 1.00 0.00 C ATOM 777 C VAL A 54 -5.171 4.937 1.657 1.00 0.00 C ATOM 778 O VAL A 54 -5.776 5.919 1.227 1.00 0.00 O ATOM 779 CB VAL A 54 -3.710 4.284 -0.257 1.00 0.00 C ATOM 780 CG1 VAL A 54 -2.533 4.892 0.491 1.00 0.00 C ATOM 781 CG2 VAL A 54 -3.251 3.147 -1.157 1.00 0.00 C ATOM 0 H VAL A 54 -6.400 3.925 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.371 2.974 1.327 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.150 5.058 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.786 5.235 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.878 5.736 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.091 4.141 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.494 3.514 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.828 2.348 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.102 2.762 -1.720 1.00 0.00 H new ATOM 791 N ASP A 55 -4.821 4.807 2.932 1.00 0.00 N ATOM 792 CA ASP A 55 -5.131 5.834 3.920 1.00 0.00 C ATOM 793 C ASP A 55 -3.858 6.364 4.574 1.00 0.00 C ATOM 794 O ASP A 55 -3.089 5.606 5.163 1.00 0.00 O ATOM 795 CB ASP A 55 -6.073 5.276 4.988 1.00 0.00 C ATOM 796 CG ASP A 55 -6.959 6.345 5.596 1.00 0.00 C ATOM 797 OD1 ASP A 55 -6.726 7.539 5.314 1.00 0.00 O ATOM 798 OD2 ASP A 55 -7.887 5.987 6.351 1.00 0.00 O ATOM 0 H ASP A 55 -4.322 4.000 3.306 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.624 6.659 3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.697 4.499 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.485 4.804 5.776 1.00 0.00 H new ATOM 803 N VAL A 56 -3.643 7.670 4.462 1.00 0.00 N ATOM 804 CA VAL A 56 -2.463 8.302 5.041 1.00 0.00 C ATOM 805 C VAL A 56 -2.848 9.501 5.901 1.00 0.00 C ATOM 806 O VAL A 56 -3.863 10.153 5.658 1.00 0.00 O ATOM 807 CB VAL A 56 -1.480 8.763 3.949 1.00 0.00 C ATOM 808 CG1 VAL A 56 -2.061 9.930 3.166 1.00 0.00 C ATOM 809 CG2 VAL A 56 -0.139 9.137 4.563 1.00 0.00 C ATOM 0 H VAL A 56 -4.270 8.311 3.976 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.976 7.552 5.664 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.319 7.936 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.352 10.242 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.994 9.623 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.253 10.763 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.543 9.460 3.777 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.280 9.948 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.281 8.271 5.075 1.00 0.00 H new ATOM 819 N LYS A 57 -2.029 9.786 6.908 1.00 0.00 N ATOM 820 CA LYS A 57 -2.282 10.907 7.806 1.00 0.00 C ATOM 821 C LYS A 57 -1.055 11.205 8.663 1.00 0.00 C ATOM 822 O LYS A 57 -0.100 10.430 8.685 1.00 0.00 O ATOM 823 CB LYS A 57 -3.484 10.609 8.704 1.00 0.00 C ATOM 824 CG LYS A 57 -3.113 9.939 10.016 1.00 0.00 C ATOM 825 CD LYS A 57 -4.307 9.840 10.950 1.00 0.00 C ATOM 826 CE LYS A 57 -3.967 9.058 12.208 1.00 0.00 C ATOM 827 NZ LYS A 57 -4.905 9.364 13.322 1.00 0.00 N ATOM 0 H LYS A 57 -1.184 9.256 7.123 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.501 11.784 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.007 11.541 8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.181 9.969 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.722 8.941 9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.317 10.503 10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.641 10.841 11.222 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.136 9.357 10.433 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.997 7.990 11.991 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.948 9.292 12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.050 8.510 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.505 10.118 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.817 9.678 12.932 1.00 0.00 H new ATOM 841 N GLU A 58 -1.090 12.333 9.366 1.00 0.00 N ATOM 842 CA GLU A 58 0.018 12.730 10.225 1.00 0.00 C ATOM 843 C GLU A 58 0.004 11.943 11.532 1.00 0.00 C ATOM 844 O GLU A 58 -1.054 11.699 12.112 1.00 0.00 O ATOM 845 CB GLU A 58 -0.048 14.230 10.519 1.00 0.00 C ATOM 846 CG GLU A 58 0.725 15.081 9.524 1.00 0.00 C ATOM 847 CD GLU A 58 0.468 16.565 9.702 1.00 0.00 C ATOM 848 OE1 GLU A 58 -0.710 16.949 9.860 1.00 0.00 O ATOM 849 OE2 GLU A 58 1.445 17.342 9.683 1.00 0.00 O ATOM 0 H GLU A 58 -1.873 12.987 9.357 1.00 0.00 H new ATOM 0 HA GLU A 58 0.947 12.510 9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.091 14.546 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.342 14.413 11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.791 14.885 9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.451 14.788 8.511 1.00 0.00 H new ATOM 856 N VAL A 59 1.188 11.549 11.993 1.00 0.00 N ATOM 857 CA VAL A 59 1.313 10.791 13.231 1.00 0.00 C ATOM 858 C VAL A 59 0.768 11.580 14.417 1.00 0.00 C ATOM 859 O VAL A 59 0.627 11.049 15.517 1.00 0.00 O ATOM 860 CB VAL A 59 2.779 10.410 13.512 1.00 0.00 C ATOM 861 CG1 VAL A 59 3.665 11.646 13.484 1.00 0.00 C ATOM 862 CG2 VAL A 59 2.895 9.691 14.846 1.00 0.00 C ATOM 0 H VAL A 59 2.074 11.743 11.526 1.00 0.00 H new ATOM 0 HA VAL A 59 0.727 9.881 13.104 1.00 0.00 H new ATOM 0 HB VAL A 59 3.118 9.731 12.729 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.697 11.358 13.684 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.603 12.116 12.502 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.330 12.351 14.245 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.937 9.429 15.029 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.540 10.344 15.643 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.291 8.784 14.824 1.00 0.00 H new ATOM 872 N ALA A 60 0.464 12.853 14.183 1.00 0.00 N ATOM 873 CA ALA A 60 -0.068 13.716 15.231 1.00 0.00 C ATOM 874 C ALA A 60 -1.531 14.058 14.971 1.00 0.00 C ATOM 875 O ALA A 60 -2.291 14.326 15.900 1.00 0.00 O ATOM 876 CB ALA A 60 0.762 14.986 15.340 1.00 0.00 C ATOM 0 H ALA A 60 0.577 13.309 13.278 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.011 13.176 16.176 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.354 15.621 16.126 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.793 14.727 15.581 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.735 15.521 14.391 1.00 0.00 H new ATOM 882 N SER A 61 -1.919 14.048 13.699 1.00 0.00 N ATOM 883 CA SER A 61 -3.291 14.362 13.316 1.00 0.00 C ATOM 884 C SER A 61 -4.211 13.171 13.568 1.00 0.00 C ATOM 885 O SER A 61 -3.761 12.027 13.629 1.00 0.00 O ATOM 886 CB SER A 61 -3.352 14.764 11.842 1.00 0.00 C ATOM 887 OG SER A 61 -4.593 15.371 11.529 1.00 0.00 O ATOM 0 H SER A 61 -1.303 13.826 12.917 1.00 0.00 H new ATOM 0 HA SER A 61 -3.631 15.198 13.928 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.539 15.454 11.616 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.206 13.884 11.216 1.00 0.00 H new ATOM 0 HG SER A 61 -4.606 15.620 10.581 1.00 0.00 H new ATOM 893 N GLU A 62 -5.503 13.450 13.715 1.00 0.00 N ATOM 894 CA GLU A 62 -6.487 12.403 13.961 1.00 0.00 C ATOM 895 C GLU A 62 -7.443 12.265 12.781 1.00 0.00 C ATOM 896 O GLU A 62 -8.505 11.653 12.897 1.00 0.00 O ATOM 897 CB GLU A 62 -7.275 12.704 15.237 1.00 0.00 C ATOM 898 CG GLU A 62 -6.600 12.201 16.503 1.00 0.00 C ATOM 899 CD GLU A 62 -6.718 10.699 16.670 1.00 0.00 C ATOM 900 OE1 GLU A 62 -7.839 10.219 16.941 1.00 0.00 O ATOM 901 OE2 GLU A 62 -5.690 10.003 16.530 1.00 0.00 O ATOM 0 H GLU A 62 -5.892 14.392 13.668 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.953 11.461 14.085 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.422 13.781 15.317 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.264 12.252 15.158 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.546 12.479 16.483 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.044 12.695 17.368 1.00 0.00 H new ATOM 908 N ILE A 63 -7.059 12.840 11.646 1.00 0.00 N ATOM 909 CA ILE A 63 -7.882 12.782 10.444 1.00 0.00 C ATOM 910 C ILE A 63 -7.201 11.963 9.352 1.00 0.00 C ATOM 911 O ILE A 63 -6.171 12.365 8.811 1.00 0.00 O ATOM 912 CB ILE A 63 -8.184 14.191 9.900 1.00 0.00 C ATOM 913 CG1 ILE A 63 -8.925 15.019 10.952 1.00 0.00 C ATOM 914 CG2 ILE A 63 -9.000 14.100 8.619 1.00 0.00 C ATOM 915 CD1 ILE A 63 -8.914 16.505 10.670 1.00 0.00 C ATOM 0 H ILE A 63 -6.183 13.351 11.534 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.819 12.302 10.725 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.240 14.687 9.673 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.958 14.676 11.011 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.474 14.839 11.928 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.206 15.104 8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.439 13.542 7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.941 13.589 8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.458 17.029 11.456 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.885 16.862 10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.392 16.697 9.709 1.00 0.00 H new ATOM 927 N TRP A 64 -7.786 10.815 9.030 1.00 0.00 N ATOM 928 CA TRP A 64 -7.238 9.940 8.000 1.00 0.00 C ATOM 929 C TRP A 64 -7.690 10.382 6.613 1.00 0.00 C ATOM 930 O TRP A 64 -8.842 10.771 6.419 1.00 0.00 O ATOM 931 CB TRP A 64 -7.664 8.493 8.252 1.00 0.00 C ATOM 932 CG TRP A 64 -6.898 7.832 9.358 1.00 0.00 C ATOM 933 CD1 TRP A 64 -7.185 7.874 10.692 1.00 0.00 C ATOM 934 CD2 TRP A 64 -5.718 7.031 9.224 1.00 0.00 C ATOM 935 NE1 TRP A 64 -6.254 7.149 11.396 1.00 0.00 N ATOM 936 CE2 TRP A 64 -5.344 6.621 10.519 1.00 0.00 C ATOM 937 CE3 TRP A 64 -4.942 6.621 8.137 1.00 0.00 C ATOM 938 CZ2 TRP A 64 -4.229 5.821 10.753 1.00 0.00 C ATOM 939 CZ3 TRP A 64 -3.835 5.827 8.370 1.00 0.00 C ATOM 940 CH2 TRP A 64 -3.487 5.434 9.670 1.00 0.00 C ATOM 0 H TRP A 64 -8.640 10.468 9.467 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.151 10.004 8.044 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -8.727 8.471 8.493 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.533 7.918 7.335 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.021 8.400 11.130 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -6.242 7.024 12.408 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -5.203 6.919 7.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.959 5.517 11.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.228 5.504 7.537 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.616 4.813 9.820 1.00 0.00 H new ATOM 951 N LYS A 65 -6.777 10.320 5.650 1.00 0.00 N ATOM 952 CA LYS A 65 -7.081 10.713 4.279 1.00 0.00 C ATOM 953 C LYS A 65 -7.076 9.501 3.352 1.00 0.00 C ATOM 954 O LYS A 65 -6.051 8.839 3.188 1.00 0.00 O ATOM 955 CB LYS A 65 -6.069 11.749 3.786 1.00 0.00 C ATOM 956 CG LYS A 65 -6.227 13.112 4.438 1.00 0.00 C ATOM 957 CD LYS A 65 -5.342 14.154 3.775 1.00 0.00 C ATOM 958 CE LYS A 65 -5.926 14.621 2.450 1.00 0.00 C ATOM 959 NZ LYS A 65 -4.884 15.192 1.555 1.00 0.00 N ATOM 0 H LYS A 65 -5.819 10.001 5.794 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.078 11.154 4.267 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.061 11.379 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.170 11.858 2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.269 13.427 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.977 13.041 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.222 15.008 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.349 13.737 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.412 13.782 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.695 15.371 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.322 15.498 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.437 16.008 2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.163 14.469 1.356 1.00 0.00 H new ATOM 973 N ILE A 66 -8.226 9.219 2.750 1.00 0.00 N ATOM 974 CA ILE A 66 -8.352 8.088 1.838 1.00 0.00 C ATOM 975 C ILE A 66 -8.042 8.502 0.403 1.00 0.00 C ATOM 976 O ILE A 66 -8.302 9.637 0.003 1.00 0.00 O ATOM 977 CB ILE A 66 -9.765 7.477 1.890 1.00 0.00 C ATOM 978 CG1 ILE A 66 -10.076 6.980 3.304 1.00 0.00 C ATOM 979 CG2 ILE A 66 -9.889 6.343 0.884 1.00 0.00 C ATOM 980 CD1 ILE A 66 -9.266 5.769 3.710 1.00 0.00 C ATOM 0 H ILE A 66 -9.083 9.757 2.877 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.629 7.339 2.162 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.489 8.248 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.889 7.786 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.136 6.737 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.893 5.921 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.704 6.725 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.159 5.568 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.538 5.472 4.723 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.471 4.947 3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.204 6.014 3.677 1.00 0.00 H new ATOM 992 N VAL A 67 -7.489 7.572 -0.368 1.00 0.00 N ATOM 993 CA VAL A 67 -7.146 7.840 -1.760 1.00 0.00 C ATOM 994 C VAL A 67 -7.352 6.600 -2.624 1.00 0.00 C ATOM 995 O VAL A 67 -6.611 5.623 -2.513 1.00 0.00 O ATOM 996 CB VAL A 67 -5.686 8.311 -1.899 1.00 0.00 C ATOM 997 CG1 VAL A 67 -5.326 8.511 -3.363 1.00 0.00 C ATOM 998 CG2 VAL A 67 -5.463 9.591 -1.107 1.00 0.00 C ATOM 0 H VAL A 67 -7.269 6.627 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.810 8.634 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.033 7.539 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.291 8.844 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.446 7.570 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.983 9.263 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.427 9.910 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.124 10.371 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.678 9.409 -0.054 1.00 0.00 H new ATOM 1008 N ARG A 68 -8.363 6.647 -3.486 1.00 0.00 N ATOM 1009 CA ARG A 68 -8.667 5.528 -4.369 1.00 0.00 C ATOM 1010 C ARG A 68 -7.838 5.603 -5.648 1.00 0.00 C ATOM 1011 O ARG A 68 -7.580 6.689 -6.169 1.00 0.00 O ATOM 1012 CB ARG A 68 -10.158 5.514 -4.715 1.00 0.00 C ATOM 1013 CG ARG A 68 -11.023 4.861 -3.650 1.00 0.00 C ATOM 1014 CD ARG A 68 -12.430 5.438 -3.645 1.00 0.00 C ATOM 1015 NE ARG A 68 -13.290 4.790 -4.632 1.00 0.00 N ATOM 1016 CZ ARG A 68 -14.552 5.142 -4.851 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -15.098 6.131 -4.157 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -15.271 4.504 -5.766 1.00 0.00 N ATOM 0 H ARG A 68 -8.985 7.448 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.413 4.606 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.497 6.539 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.299 4.987 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.070 3.786 -3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.566 5.004 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.866 5.322 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.384 6.507 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.900 4.025 -5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.549 6.624 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.067 6.399 -4.327 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.855 3.743 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.240 4.775 -5.933 1.00 0.00 H new ATOM 1032 N SER A 69 -7.424 4.444 -6.148 1.00 0.00 N ATOM 1033 CA SER A 69 -6.621 4.379 -7.363 1.00 0.00 C ATOM 1034 C SER A 69 -7.510 4.375 -8.602 1.00 0.00 C ATOM 1035 O SER A 69 -8.727 4.217 -8.507 1.00 0.00 O ATOM 1036 CB SER A 69 -5.738 3.128 -7.349 1.00 0.00 C ATOM 1037 OG SER A 69 -5.065 2.993 -6.110 1.00 0.00 O ATOM 0 H SER A 69 -7.631 3.537 -5.730 1.00 0.00 H new ATOM 0 HA SER A 69 -5.985 5.264 -7.397 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.350 2.245 -7.532 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.010 3.184 -8.158 1.00 0.00 H new ATOM 0 HG SER A 69 -4.509 2.186 -6.126 1.00 0.00 H new ATOM 1043 N HIS A 70 -6.892 4.550 -9.767 1.00 0.00 N ATOM 1044 CA HIS A 70 -7.627 4.567 -11.027 1.00 0.00 C ATOM 1045 C HIS A 70 -7.594 3.195 -11.693 1.00 0.00 C ATOM 1046 O HIS A 70 -7.437 3.086 -12.907 1.00 0.00 O ATOM 1047 CB HIS A 70 -7.040 5.618 -11.969 1.00 0.00 C ATOM 1048 CG HIS A 70 -7.427 7.021 -11.619 1.00 0.00 C ATOM 1049 ND1 HIS A 70 -8.295 7.775 -12.379 1.00 0.00 N ATOM 1050 CD2 HIS A 70 -7.061 7.806 -10.578 1.00 0.00 C ATOM 1051 CE1 HIS A 70 -8.445 8.964 -11.823 1.00 0.00 C ATOM 1052 NE2 HIS A 70 -7.707 9.009 -10.729 1.00 0.00 N ATOM 0 H HIS A 70 -5.885 4.682 -9.864 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.665 4.822 -10.811 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.953 5.537 -11.958 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.366 5.404 -12.987 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.387 7.537 -9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.066 9.764 -12.199 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -7.629 9.807 -10.099 1.00 0.00 H new ATOM 1061 N GLY A 71 -7.744 2.147 -10.886 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.728 0.796 -11.414 1.00 0.00 C ATOM 1063 C GLY A 71 -7.270 -0.223 -10.389 1.00 0.00 C ATOM 1064 O GLY A 71 -7.404 -0.005 -9.185 1.00 0.00 O ATOM 0 H GLY A 71 -7.876 2.211 -9.877 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.727 0.533 -11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.069 0.756 -12.281 1.00 0.00 H new ATOM 1068 N VAL A 72 -6.728 -1.338 -10.867 1.00 0.00 N ATOM 1069 CA VAL A 72 -6.249 -2.395 -9.983 1.00 0.00 C ATOM 1070 C VAL A 72 -4.759 -2.242 -9.703 1.00 0.00 C ATOM 1071 O VAL A 72 -4.117 -3.161 -9.195 1.00 0.00 O ATOM 1072 CB VAL A 72 -6.507 -3.790 -10.584 1.00 0.00 C ATOM 1073 CG1 VAL A 72 -8.000 -4.056 -10.693 1.00 0.00 C ATOM 1074 CG2 VAL A 72 -5.835 -3.916 -11.943 1.00 0.00 C ATOM 0 H VAL A 72 -6.609 -1.533 -11.861 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.803 -2.302 -9.049 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.076 -4.539 -9.919 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.163 -5.046 -11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.451 -4.009 -9.702 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.458 -3.304 -11.336 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.027 -4.907 -12.353 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.235 -3.160 -12.618 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.760 -3.771 -11.832 1.00 0.00 H new ATOM 1084 N GLN A 73 -4.216 -1.075 -10.035 1.00 0.00 N ATOM 1085 CA GLN A 73 -2.800 -0.803 -9.817 1.00 0.00 C ATOM 1086 C GLN A 73 -2.440 -0.936 -8.341 1.00 0.00 C ATOM 1087 O GLN A 73 -3.269 -0.691 -7.464 1.00 0.00 O ATOM 1088 CB GLN A 73 -2.446 0.599 -10.317 1.00 0.00 C ATOM 1089 CG GLN A 73 -3.214 1.706 -9.614 1.00 0.00 C ATOM 1090 CD GLN A 73 -3.432 2.918 -10.499 1.00 0.00 C ATOM 1091 OE1 GLN A 73 -2.521 3.719 -10.709 1.00 0.00 O ATOM 1092 NE2 GLN A 73 -4.644 3.059 -11.023 1.00 0.00 N ATOM 0 H GLN A 73 -4.734 -0.304 -10.455 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.224 -1.538 -10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -1.378 0.766 -10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.643 0.655 -11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.180 1.321 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.671 2.008 -8.718 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.370 2.371 -10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.849 3.855 -11.626 1.00 0.00 H new ATOM 1101 N THR A 74 -1.198 -1.325 -8.073 1.00 0.00 N ATOM 1102 CA THR A 74 -0.728 -1.492 -6.702 1.00 0.00 C ATOM 1103 C THR A 74 0.200 -0.353 -6.298 1.00 0.00 C ATOM 1104 O THR A 74 0.881 -0.429 -5.275 1.00 0.00 O ATOM 1105 CB THR A 74 0.010 -2.831 -6.521 1.00 0.00 C ATOM 1106 OG1 THR A 74 1.123 -2.903 -7.419 1.00 0.00 O ATOM 1107 CG2 THR A 74 -0.926 -4.004 -6.773 1.00 0.00 C ATOM 0 H THR A 74 -0.499 -1.531 -8.787 1.00 0.00 H new ATOM 0 HA THR A 74 -1.610 -1.483 -6.061 1.00 0.00 H new ATOM 0 HB THR A 74 0.368 -2.886 -5.493 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.855 -3.398 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.382 -4.939 -6.639 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.757 -3.964 -6.069 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.310 -3.951 -7.792 1.00 0.00 H new ATOM 1115 N MET A 75 0.223 0.701 -7.105 1.00 0.00 N ATOM 1116 CA MET A 75 1.068 1.857 -6.829 1.00 0.00 C ATOM 1117 C MET A 75 0.283 3.156 -6.987 1.00 0.00 C ATOM 1118 O MET A 75 -0.490 3.313 -7.932 1.00 0.00 O ATOM 1119 CB MET A 75 2.282 1.865 -7.761 1.00 0.00 C ATOM 1120 CG MET A 75 3.172 3.085 -7.593 1.00 0.00 C ATOM 1121 SD MET A 75 2.634 4.481 -8.599 1.00 0.00 S ATOM 1122 CE MET A 75 3.607 4.224 -10.080 1.00 0.00 C ATOM 0 H MET A 75 -0.334 0.779 -7.956 1.00 0.00 H new ATOM 0 HA MET A 75 1.412 1.784 -5.797 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.873 0.967 -7.581 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.937 1.817 -8.794 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.182 3.381 -6.544 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.196 2.823 -7.860 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.834 5.187 -10.538 1.00 0.00 H new ATOM 0 HE2 MET A 75 4.537 3.717 -9.821 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.044 3.611 -10.784 1.00 0.00 H new ATOM 1132 N VAL A 76 0.487 4.083 -6.056 1.00 0.00 N ATOM 1133 CA VAL A 76 -0.201 5.367 -6.093 1.00 0.00 C ATOM 1134 C VAL A 76 0.672 6.475 -5.515 1.00 0.00 C ATOM 1135 O VAL A 76 1.503 6.233 -4.639 1.00 0.00 O ATOM 1136 CB VAL A 76 -1.529 5.315 -5.314 1.00 0.00 C ATOM 1137 CG1 VAL A 76 -2.015 6.720 -4.993 1.00 0.00 C ATOM 1138 CG2 VAL A 76 -2.579 4.546 -6.102 1.00 0.00 C ATOM 0 H VAL A 76 1.123 3.968 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.411 5.583 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.358 4.792 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.954 6.663 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.269 7.233 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.171 7.272 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.511 4.519 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.749 5.039 -7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.230 3.528 -6.275 1.00 0.00 H new ATOM 1148 N VAL A 77 0.477 7.694 -6.009 1.00 0.00 N ATOM 1149 CA VAL A 77 1.245 8.841 -5.540 1.00 0.00 C ATOM 1150 C VAL A 77 0.394 9.748 -4.658 1.00 0.00 C ATOM 1151 O VAL A 77 -0.668 10.215 -5.070 1.00 0.00 O ATOM 1152 CB VAL A 77 1.801 9.664 -6.718 1.00 0.00 C ATOM 1153 CG1 VAL A 77 0.742 10.616 -7.251 1.00 0.00 C ATOM 1154 CG2 VAL A 77 3.049 10.423 -6.294 1.00 0.00 C ATOM 0 H VAL A 77 -0.206 7.912 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 77 2.077 8.448 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 77 2.075 8.979 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.153 11.189 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.121 10.045 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.433 11.298 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.429 10.999 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.803 11.099 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.811 9.716 -5.965 1.00 0.00 H new ATOM 1164 N LEU A 78 0.869 9.994 -3.442 1.00 0.00 N ATOM 1165 CA LEU A 78 0.152 10.847 -2.500 1.00 0.00 C ATOM 1166 C LEU A 78 0.518 12.314 -2.705 1.00 0.00 C ATOM 1167 O LEU A 78 1.634 12.634 -3.113 1.00 0.00 O ATOM 1168 CB LEU A 78 0.466 10.429 -1.062 1.00 0.00 C ATOM 1169 CG LEU A 78 -0.026 9.042 -0.644 1.00 0.00 C ATOM 1170 CD1 LEU A 78 0.475 8.695 0.750 1.00 0.00 C ATOM 1171 CD2 LEU A 78 -1.546 8.977 -0.698 1.00 0.00 C ATOM 0 H LEU A 78 1.746 9.616 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.916 10.729 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.546 10.467 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.030 11.166 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 78 0.375 8.309 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.115 7.705 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.565 8.700 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.104 9.431 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.879 7.983 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.966 9.721 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.883 9.181 -1.714 1.00 0.00 H new ATOM 1183 N ASN A 79 -0.429 13.200 -2.418 1.00 0.00 N ATOM 1184 CA ASN A 79 -0.205 14.634 -2.570 1.00 0.00 C ATOM 1185 C ASN A 79 -0.820 15.406 -1.406 1.00 0.00 C ATOM 1186 O ASN A 79 -1.636 14.873 -0.656 1.00 0.00 O ATOM 1187 CB ASN A 79 -0.797 15.125 -3.892 1.00 0.00 C ATOM 1188 CG ASN A 79 -0.758 14.063 -4.974 1.00 0.00 C ATOM 1189 OD1 ASN A 79 -0.014 14.180 -5.948 1.00 0.00 O ATOM 1190 ND2 ASN A 79 -1.562 13.019 -4.806 1.00 0.00 N ATOM 0 H ASN A 79 -1.358 12.952 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 79 0.870 14.812 -2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.829 15.438 -3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.247 16.003 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.580 12.272 -5.500 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.162 12.964 -3.983 1.00 0.00 H new ATOM 1197 N ASN A 80 -0.420 16.666 -1.263 1.00 0.00 N ATOM 1198 CA ASN A 80 -0.931 17.513 -0.192 1.00 0.00 C ATOM 1199 C ASN A 80 -0.324 17.116 1.151 1.00 0.00 C ATOM 1200 O ASN A 80 -1.041 16.880 2.124 1.00 0.00 O ATOM 1201 CB ASN A 80 -2.456 17.417 -0.122 1.00 0.00 C ATOM 1202 CG ASN A 80 -3.072 18.561 0.663 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -3.200 18.492 1.885 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -3.455 19.621 -0.039 1.00 0.00 N ATOM 0 H ASN A 80 0.256 17.122 -1.875 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.648 18.543 -0.410 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.864 17.412 -1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.737 16.470 0.339 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.875 20.421 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.330 19.635 -1.051 1.00 0.00 H new ATOM 1211 N LEU A 81 1.002 17.046 1.197 1.00 0.00 N ATOM 1212 CA LEU A 81 1.707 16.679 2.420 1.00 0.00 C ATOM 1213 C LEU A 81 2.729 17.747 2.800 1.00 0.00 C ATOM 1214 O LEU A 81 3.340 18.371 1.934 1.00 0.00 O ATOM 1215 CB LEU A 81 2.404 15.329 2.245 1.00 0.00 C ATOM 1216 CG LEU A 81 1.549 14.202 1.664 1.00 0.00 C ATOM 1217 CD1 LEU A 81 2.430 13.079 1.141 1.00 0.00 C ATOM 1218 CD2 LEU A 81 0.576 13.678 2.709 1.00 0.00 C ATOM 0 H LEU A 81 1.610 17.239 0.401 1.00 0.00 H new ATOM 0 HA LEU A 81 0.974 16.601 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.270 15.471 1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.780 15.008 3.216 1.00 0.00 H new ATOM 0 HG LEU A 81 0.973 14.602 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.804 12.286 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.085 13.464 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.033 12.680 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.024 12.877 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.132 13.295 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.079 14.487 3.035 1.00 0.00 H new ATOM 1230 N GLU A 82 2.909 17.949 4.101 1.00 0.00 N ATOM 1231 CA GLU A 82 3.858 18.939 4.596 1.00 0.00 C ATOM 1232 C GLU A 82 5.270 18.363 4.645 1.00 0.00 C ATOM 1233 O GLU A 82 5.481 17.198 4.981 1.00 0.00 O ATOM 1234 CB GLU A 82 3.445 19.425 5.987 1.00 0.00 C ATOM 1235 CG GLU A 82 2.036 19.991 6.040 1.00 0.00 C ATOM 1236 CD GLU A 82 1.834 20.945 7.201 1.00 0.00 C ATOM 1237 OE1 GLU A 82 2.692 21.831 7.399 1.00 0.00 O ATOM 1238 OE2 GLU A 82 0.817 20.806 7.912 1.00 0.00 O ATOM 0 H GLU A 82 2.410 17.440 4.831 1.00 0.00 H new ATOM 0 HA GLU A 82 3.853 19.784 3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.521 18.595 6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.147 20.190 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.822 20.511 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 82 1.322 19.171 6.120 1.00 0.00 H new ATOM 1245 N PRO A 83 6.262 19.198 4.301 1.00 0.00 N ATOM 1246 CA PRO A 83 7.671 18.794 4.298 1.00 0.00 C ATOM 1247 C PRO A 83 8.214 18.573 5.705 1.00 0.00 C ATOM 1248 O PRO A 83 7.686 19.112 6.677 1.00 0.00 O ATOM 1249 CB PRO A 83 8.378 19.978 3.632 1.00 0.00 C ATOM 1250 CG PRO A 83 7.487 21.144 3.888 1.00 0.00 C ATOM 1251 CD PRO A 83 6.084 20.601 3.890 1.00 0.00 C ATOM 0 HA PRO A 83 7.822 17.845 3.783 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.369 20.137 4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.512 19.809 2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.725 21.615 4.842 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.610 21.905 3.118 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.444 21.145 4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 83 5.623 20.676 2.905 1.00 0.00 H new ATOM 1259 N ASN A 84 9.272 17.775 5.807 1.00 0.00 N ATOM 1260 CA ASN A 84 9.887 17.482 7.098 1.00 0.00 C ATOM 1261 C ASN A 84 8.840 17.020 8.107 1.00 0.00 C ATOM 1262 O ASN A 84 8.893 17.380 9.283 1.00 0.00 O ATOM 1263 CB ASN A 84 10.615 18.717 7.631 1.00 0.00 C ATOM 1264 CG ASN A 84 11.530 18.392 8.796 1.00 0.00 C ATOM 1265 OD1 ASN A 84 11.448 17.311 9.380 1.00 0.00 O ATOM 1266 ND2 ASN A 84 12.407 19.326 9.139 1.00 0.00 N ATOM 0 H ASN A 84 9.721 17.320 5.012 1.00 0.00 H new ATOM 0 HA ASN A 84 10.608 16.677 6.955 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.200 19.165 6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.882 19.460 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.049 19.163 9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.440 20.208 8.627 1.00 0.00 H new ATOM 1273 N THR A 85 7.888 16.220 7.639 1.00 0.00 N ATOM 1274 CA THR A 85 6.828 15.709 8.498 1.00 0.00 C ATOM 1275 C THR A 85 6.646 14.206 8.313 1.00 0.00 C ATOM 1276 O THR A 85 7.010 13.649 7.277 1.00 0.00 O ATOM 1277 CB THR A 85 5.487 16.415 8.218 1.00 0.00 C ATOM 1278 OG1 THR A 85 5.593 17.808 8.531 1.00 0.00 O ATOM 1279 CG2 THR A 85 4.366 15.791 9.034 1.00 0.00 C ATOM 0 H THR A 85 7.829 15.912 6.668 1.00 0.00 H new ATOM 0 HA THR A 85 7.130 15.912 9.526 1.00 0.00 H new ATOM 0 HB THR A 85 5.253 16.297 7.160 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.270 18.222 7.956 1.00 0.00 H new ATOM 0 HG21 THR A 85 3.430 16.306 8.819 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.269 14.737 8.773 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.595 15.882 10.096 1.00 0.00 H new ATOM 1287 N THR A 86 6.079 13.555 9.323 1.00 0.00 N ATOM 1288 CA THR A 86 5.848 12.117 9.272 1.00 0.00 C ATOM 1289 C THR A 86 4.377 11.803 9.025 1.00 0.00 C ATOM 1290 O THR A 86 3.496 12.563 9.425 1.00 0.00 O ATOM 1291 CB THR A 86 6.296 11.429 10.576 1.00 0.00 C ATOM 1292 OG1 THR A 86 7.565 11.946 10.990 1.00 0.00 O ATOM 1293 CG2 THR A 86 6.394 9.923 10.387 1.00 0.00 C ATOM 0 H THR A 86 5.771 14.001 10.187 1.00 0.00 H new ATOM 0 HA THR A 86 6.442 11.732 8.443 1.00 0.00 H new ATOM 0 HB THR A 86 5.551 11.635 11.345 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.843 11.505 11.820 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.712 9.459 11.321 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.420 9.528 10.099 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.121 9.701 9.606 1.00 0.00 H new ATOM 1301 N TYR A 87 4.119 10.680 8.364 1.00 0.00 N ATOM 1302 CA TYR A 87 2.753 10.267 8.063 1.00 0.00 C ATOM 1303 C TYR A 87 2.635 8.746 8.047 1.00 0.00 C ATOM 1304 O TYR A 87 3.531 8.049 7.574 1.00 0.00 O ATOM 1305 CB TYR A 87 2.312 10.838 6.715 1.00 0.00 C ATOM 1306 CG TYR A 87 2.537 12.328 6.585 1.00 0.00 C ATOM 1307 CD1 TYR A 87 3.813 12.843 6.396 1.00 0.00 C ATOM 1308 CD2 TYR A 87 1.473 13.219 6.650 1.00 0.00 C ATOM 1309 CE1 TYR A 87 4.024 14.204 6.278 1.00 0.00 C ATOM 1310 CE2 TYR A 87 1.674 14.581 6.532 1.00 0.00 C ATOM 1311 CZ TYR A 87 2.952 15.069 6.346 1.00 0.00 C ATOM 1312 OH TYR A 87 3.157 16.424 6.227 1.00 0.00 O ATOM 0 H TYR A 87 4.837 10.039 8.026 1.00 0.00 H new ATOM 0 HA TYR A 87 2.101 10.655 8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.853 10.327 5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.253 10.625 6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.655 12.169 6.340 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.472 12.841 6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.023 14.588 6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.836 15.260 6.585 1.00 0.00 H new ATOM 0 HH TYR A 87 3.956 16.587 5.683 1.00 0.00 H new ATOM 1322 N GLU A 88 1.521 8.241 8.568 1.00 0.00 N ATOM 1323 CA GLU A 88 1.285 6.802 8.614 1.00 0.00 C ATOM 1324 C GLU A 88 0.377 6.364 7.469 1.00 0.00 C ATOM 1325 O GLU A 88 -0.753 6.835 7.343 1.00 0.00 O ATOM 1326 CB GLU A 88 0.661 6.408 9.954 1.00 0.00 C ATOM 1327 CG GLU A 88 1.261 7.138 11.144 1.00 0.00 C ATOM 1328 CD GLU A 88 0.313 7.208 12.325 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -0.751 7.848 12.194 1.00 0.00 O ATOM 1330 OE2 GLU A 88 0.635 6.623 13.380 1.00 0.00 O ATOM 0 H GLU A 88 0.769 8.805 8.963 1.00 0.00 H new ATOM 0 HA GLU A 88 2.245 6.298 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.410 6.607 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.781 5.334 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.179 6.635 11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.537 8.149 10.844 1.00 0.00 H new ATOM 1337 N ILE A 89 0.881 5.458 6.636 1.00 0.00 N ATOM 1338 CA ILE A 89 0.116 4.956 5.501 1.00 0.00 C ATOM 1339 C ILE A 89 -0.106 3.451 5.612 1.00 0.00 C ATOM 1340 O ILE A 89 0.750 2.722 6.114 1.00 0.00 O ATOM 1341 CB ILE A 89 0.821 5.262 4.167 1.00 0.00 C ATOM 1342 CG1 ILE A 89 0.352 4.291 3.082 1.00 0.00 C ATOM 1343 CG2 ILE A 89 2.330 5.187 4.336 1.00 0.00 C ATOM 1344 CD1 ILE A 89 0.832 4.656 1.695 1.00 0.00 C ATOM 0 H ILE A 89 1.815 5.057 6.726 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.847 5.466 5.518 1.00 0.00 H new ATOM 0 HB ILE A 89 0.559 6.274 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.703 3.288 3.327 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.737 4.256 3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.814 5.406 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.649 5.915 5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.610 4.186 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.461 3.924 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.459 5.645 1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.922 4.662 1.677 1.00 0.00 H new ATOM 1356 N ARG A 90 -1.260 2.992 5.138 1.00 0.00 N ATOM 1357 CA ARG A 90 -1.594 1.574 5.183 1.00 0.00 C ATOM 1358 C ARG A 90 -2.303 1.141 3.903 1.00 0.00 C ATOM 1359 O ARG A 90 -3.261 1.778 3.466 1.00 0.00 O ATOM 1360 CB ARG A 90 -2.480 1.275 6.395 1.00 0.00 C ATOM 1361 CG ARG A 90 -3.811 2.008 6.371 1.00 0.00 C ATOM 1362 CD ARG A 90 -4.604 1.766 7.646 1.00 0.00 C ATOM 1363 NE ARG A 90 -6.003 2.157 7.504 1.00 0.00 N ATOM 1364 CZ ARG A 90 -6.918 1.970 8.448 1.00 0.00 C ATOM 1365 NH1 ARG A 90 -6.582 1.402 9.598 1.00 0.00 N ATOM 1366 NH2 ARG A 90 -8.172 2.353 8.244 1.00 0.00 N ATOM 0 H ARG A 90 -1.979 3.582 4.719 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.665 1.011 5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.666 0.202 6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.942 1.546 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.637 3.077 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.394 1.678 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.548 0.711 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.153 2.326 8.465 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.294 2.598 6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.619 1.108 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.287 1.260 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.434 2.792 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.874 2.209 8.970 1.00 0.00 H new ATOM 1380 N VAL A 91 -1.823 0.055 3.306 1.00 0.00 N ATOM 1381 CA VAL A 91 -2.410 -0.462 2.075 1.00 0.00 C ATOM 1382 C VAL A 91 -3.340 -1.636 2.362 1.00 0.00 C ATOM 1383 O VAL A 91 -3.060 -2.468 3.225 1.00 0.00 O ATOM 1384 CB VAL A 91 -1.323 -0.915 1.082 1.00 0.00 C ATOM 1385 CG1 VAL A 91 -1.944 -1.283 -0.257 1.00 0.00 C ATOM 1386 CG2 VAL A 91 -0.272 0.172 0.912 1.00 0.00 C ATOM 0 H VAL A 91 -1.030 -0.484 3.654 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.982 0.352 1.630 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.833 -1.802 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.161 -1.601 -0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.656 -2.096 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.460 -0.416 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.489 -0.164 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.744 1.078 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.193 0.382 1.875 1.00 0.00 H new ATOM 1396 N ALA A 92 -4.451 -1.695 1.633 1.00 0.00 N ATOM 1397 CA ALA A 92 -5.422 -2.769 1.807 1.00 0.00 C ATOM 1398 C ALA A 92 -6.083 -3.131 0.482 1.00 0.00 C ATOM 1399 O ALA A 92 -6.157 -2.309 -0.431 1.00 0.00 O ATOM 1400 CB ALA A 92 -6.474 -2.367 2.830 1.00 0.00 C ATOM 0 H ALA A 92 -4.700 -1.012 0.917 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.892 -3.649 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.193 -3.178 2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.992 -2.164 3.787 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.992 -1.471 2.487 1.00 0.00 H new ATOM 1406 N ALA A 93 -6.560 -4.368 0.382 1.00 0.00 N ATOM 1407 CA ALA A 93 -7.216 -4.838 -0.831 1.00 0.00 C ATOM 1408 C ALA A 93 -8.731 -4.865 -0.662 1.00 0.00 C ATOM 1409 O ALA A 93 -9.251 -5.474 0.274 1.00 0.00 O ATOM 1410 CB ALA A 93 -6.700 -6.218 -1.209 1.00 0.00 C ATOM 0 H ALA A 93 -6.504 -5.062 1.127 1.00 0.00 H new ATOM 0 HA ALA A 93 -6.980 -4.141 -1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.199 -6.557 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.625 -6.170 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.906 -6.918 -0.399 1.00 0.00 H new ATOM 1416 N VAL A 94 -9.437 -4.201 -1.572 1.00 0.00 N ATOM 1417 CA VAL A 94 -10.893 -4.150 -1.523 1.00 0.00 C ATOM 1418 C VAL A 94 -11.509 -4.889 -2.705 1.00 0.00 C ATOM 1419 O VAL A 94 -11.017 -4.803 -3.829 1.00 0.00 O ATOM 1420 CB VAL A 94 -11.404 -2.697 -1.517 1.00 0.00 C ATOM 1421 CG1 VAL A 94 -12.903 -2.656 -1.772 1.00 0.00 C ATOM 1422 CG2 VAL A 94 -11.060 -2.017 -0.201 1.00 0.00 C ATOM 0 H VAL A 94 -9.024 -3.691 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.196 -4.637 -0.596 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.908 -2.153 -2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.245 -1.621 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -13.119 -3.102 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.420 -3.215 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.428 -0.991 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.526 -2.559 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.978 -2.012 -0.066 1.00 0.00 H new ATOM 1432 N ASN A 95 -12.591 -5.616 -2.443 1.00 0.00 N ATOM 1433 CA ASN A 95 -13.274 -6.372 -3.486 1.00 0.00 C ATOM 1434 C ASN A 95 -14.782 -6.382 -3.250 1.00 0.00 C ATOM 1435 O ASN A 95 -15.277 -5.766 -2.308 1.00 0.00 O ATOM 1436 CB ASN A 95 -12.746 -7.807 -3.536 1.00 0.00 C ATOM 1437 CG ASN A 95 -13.224 -8.640 -2.363 1.00 0.00 C ATOM 1438 OD1 ASN A 95 -13.898 -8.138 -1.464 1.00 0.00 O ATOM 1439 ND2 ASN A 95 -12.875 -9.922 -2.368 1.00 0.00 N ATOM 0 H ASN A 95 -13.013 -5.697 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.075 -5.886 -4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.066 -8.277 -4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -11.656 -7.790 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.167 -10.533 -1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -12.315 -10.295 -3.135 1.00 0.00 H new ATOM 1446 N GLY A 96 -15.506 -7.086 -4.115 1.00 0.00 N ATOM 1447 CA GLY A 96 -16.949 -7.165 -3.984 1.00 0.00 C ATOM 1448 C GLY A 96 -17.392 -7.346 -2.545 1.00 0.00 C ATOM 1449 O GLY A 96 -18.283 -6.643 -2.068 1.00 0.00 O ATOM 0 H GLY A 96 -15.119 -7.603 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -17.398 -6.257 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.320 -7.997 -4.582 1.00 0.00 H new ATOM 1453 N LYS A 97 -16.769 -8.294 -1.851 1.00 0.00 N ATOM 1454 CA LYS A 97 -17.103 -8.567 -0.459 1.00 0.00 C ATOM 1455 C LYS A 97 -16.993 -7.301 0.386 1.00 0.00 C ATOM 1456 O LYS A 97 -17.979 -6.837 0.957 1.00 0.00 O ATOM 1457 CB LYS A 97 -16.181 -9.651 0.105 1.00 0.00 C ATOM 1458 CG LYS A 97 -16.716 -11.060 -0.081 1.00 0.00 C ATOM 1459 CD LYS A 97 -17.091 -11.328 -1.528 1.00 0.00 C ATOM 1460 CE LYS A 97 -18.541 -10.962 -1.805 1.00 0.00 C ATOM 1461 NZ LYS A 97 -19.124 -11.792 -2.895 1.00 0.00 N ATOM 0 H LYS A 97 -16.030 -8.886 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 97 -18.134 -8.919 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.206 -9.575 -0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.026 -9.467 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.964 -11.781 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.589 -11.205 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.438 -10.755 -2.186 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.930 -12.381 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.128 -11.092 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.604 -9.908 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.113 -11.512 -3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.579 -11.649 -3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.087 -12.796 -2.625 1.00 0.00 H new ATOM 1475 N GLY A 98 -15.786 -6.748 0.459 1.00 0.00 N ATOM 1476 CA GLY A 98 -15.571 -5.540 1.236 1.00 0.00 C ATOM 1477 C GLY A 98 -14.104 -5.171 1.339 1.00 0.00 C ATOM 1478 O GLY A 98 -13.323 -5.455 0.431 1.00 0.00 O ATOM 0 H GLY A 98 -14.954 -7.114 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.119 -4.716 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -15.979 -5.678 2.237 1.00 0.00 H new ATOM 1482 N GLN A 99 -13.732 -4.535 2.444 1.00 0.00 N ATOM 1483 CA GLN A 99 -12.350 -4.125 2.660 1.00 0.00 C ATOM 1484 C GLN A 99 -11.659 -5.042 3.663 1.00 0.00 C ATOM 1485 O GLN A 99 -11.879 -4.937 4.869 1.00 0.00 O ATOM 1486 CB GLN A 99 -12.296 -2.678 3.153 1.00 0.00 C ATOM 1487 CG GLN A 99 -10.882 -2.154 3.350 1.00 0.00 C ATOM 1488 CD GLN A 99 -10.844 -0.661 3.608 1.00 0.00 C ATOM 1489 OE1 GLN A 99 -11.874 -0.037 3.867 1.00 0.00 O ATOM 1490 NE2 GLN A 99 -9.653 -0.078 3.540 1.00 0.00 N ATOM 0 H GLN A 99 -14.368 -4.292 3.204 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.824 -4.197 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.815 -2.040 2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.837 -2.604 4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.419 -2.676 4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.288 -2.381 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.825 -0.633 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.566 0.925 3.705 1.00 0.00 H new ATOM 1499 N GLY A 100 -10.822 -5.943 3.156 1.00 0.00 N ATOM 1500 CA GLY A 100 -10.113 -6.867 4.021 1.00 0.00 C ATOM 1501 C GLY A 100 -9.321 -6.157 5.101 1.00 0.00 C ATOM 1502 O GLY A 100 -9.525 -4.969 5.351 1.00 0.00 O ATOM 0 H GLY A 100 -10.623 -6.049 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.828 -7.546 4.486 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.438 -7.477 3.421 1.00 0.00 H new ATOM 1506 N ASP A 101 -8.414 -6.886 5.744 1.00 0.00 N ATOM 1507 CA ASP A 101 -7.588 -6.319 6.804 1.00 0.00 C ATOM 1508 C ASP A 101 -6.489 -5.437 6.221 1.00 0.00 C ATOM 1509 O ASP A 101 -6.071 -5.621 5.078 1.00 0.00 O ATOM 1510 CB ASP A 101 -6.971 -7.434 7.650 1.00 0.00 C ATOM 1511 CG ASP A 101 -7.889 -7.887 8.768 1.00 0.00 C ATOM 1512 OD1 ASP A 101 -8.028 -7.142 9.760 1.00 0.00 O ATOM 1513 OD2 ASP A 101 -8.468 -8.988 8.652 1.00 0.00 O ATOM 0 H ASP A 101 -8.233 -7.871 5.549 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.225 -5.703 7.439 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.736 -8.284 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.030 -7.085 8.075 1.00 0.00 H new ATOM 1518 N TYR A 102 -6.023 -4.479 7.016 1.00 0.00 N ATOM 1519 CA TYR A 102 -4.975 -3.565 6.578 1.00 0.00 C ATOM 1520 C TYR A 102 -3.594 -4.181 6.787 1.00 0.00 C ATOM 1521 O TYR A 102 -3.417 -5.064 7.627 1.00 0.00 O ATOM 1522 CB TYR A 102 -5.074 -2.240 7.337 1.00 0.00 C ATOM 1523 CG TYR A 102 -6.267 -1.403 6.937 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -6.304 -0.751 5.710 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -7.357 -1.262 7.787 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -7.392 0.016 5.342 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -8.450 -0.497 7.425 1.00 0.00 C ATOM 1528 CZ TYR A 102 -8.462 0.140 6.202 1.00 0.00 C ATOM 1529 OH TYR A 102 -9.548 0.903 5.838 1.00 0.00 O ATOM 0 H TYR A 102 -6.355 -4.316 7.967 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.113 -3.377 5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -5.127 -2.446 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.164 -1.665 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.468 -0.846 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.350 -1.758 8.746 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.404 0.516 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.290 -0.399 8.096 1.00 0.00 H new ATOM 0 HH TYR A 102 -10.215 0.886 6.555 1.00 0.00 H new ATOM 1539 N SER A 103 -2.620 -3.709 6.016 1.00 0.00 N ATOM 1540 CA SER A 103 -1.256 -4.214 6.113 1.00 0.00 C ATOM 1541 C SER A 103 -0.474 -3.464 7.187 1.00 0.00 C ATOM 1542 O SER A 103 -0.818 -2.340 7.552 1.00 0.00 O ATOM 1543 CB SER A 103 -0.545 -4.084 4.764 1.00 0.00 C ATOM 1544 OG SER A 103 -0.438 -2.727 4.373 1.00 0.00 O ATOM 0 H SER A 103 -2.750 -2.978 5.317 1.00 0.00 H new ATOM 0 HA SER A 103 -1.303 -5.267 6.391 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.449 -4.526 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 103 -1.093 -4.642 4.005 1.00 0.00 H new ATOM 0 HG SER A 103 -1.271 -2.444 3.942 1.00 0.00 H new ATOM 1550 N LYS A 104 0.582 -4.096 7.690 1.00 0.00 N ATOM 1551 CA LYS A 104 1.415 -3.490 8.722 1.00 0.00 C ATOM 1552 C LYS A 104 1.536 -1.985 8.511 1.00 0.00 C ATOM 1553 O LYS A 104 2.154 -1.532 7.547 1.00 0.00 O ATOM 1554 CB LYS A 104 2.807 -4.129 8.722 1.00 0.00 C ATOM 1555 CG LYS A 104 3.518 -4.036 10.061 1.00 0.00 C ATOM 1556 CD LYS A 104 2.979 -5.055 11.050 1.00 0.00 C ATOM 1557 CE LYS A 104 3.978 -5.335 12.163 1.00 0.00 C ATOM 1558 NZ LYS A 104 3.837 -6.717 12.700 1.00 0.00 N ATOM 0 H LYS A 104 0.881 -5.027 7.400 1.00 0.00 H new ATOM 0 HA LYS A 104 0.940 -3.666 9.687 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.716 -5.178 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.419 -3.646 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.587 -4.196 9.918 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.398 -3.032 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.047 -4.688 11.480 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.746 -5.983 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.991 -5.193 11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.835 -4.616 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.535 -6.869 13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.879 -6.845 13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.999 -7.404 11.936 1.00 0.00 H new ATOM 1572 N ILE A 105 0.942 -1.216 9.417 1.00 0.00 N ATOM 1573 CA ILE A 105 0.986 0.238 9.331 1.00 0.00 C ATOM 1574 C ILE A 105 2.383 0.726 8.959 1.00 0.00 C ATOM 1575 O ILE A 105 3.360 0.414 9.639 1.00 0.00 O ATOM 1576 CB ILE A 105 0.561 0.895 10.658 1.00 0.00 C ATOM 1577 CG1 ILE A 105 -0.896 0.557 10.977 1.00 0.00 C ATOM 1578 CG2 ILE A 105 0.759 2.401 10.591 1.00 0.00 C ATOM 1579 CD1 ILE A 105 -1.878 1.097 9.960 1.00 0.00 C ATOM 0 H ILE A 105 0.425 -1.576 10.219 1.00 0.00 H new ATOM 0 HA ILE A 105 0.283 0.528 8.550 1.00 0.00 H new ATOM 0 HB ILE A 105 1.188 0.501 11.458 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -1.005 -0.526 11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.146 0.956 11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.454 2.850 11.536 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.810 2.622 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.155 2.812 9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.891 0.820 10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -1.797 2.183 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.654 0.678 8.979 1.00 0.00 H new ATOM 1591 N GLU A 106 2.467 1.494 7.878 1.00 0.00 N ATOM 1592 CA GLU A 106 3.744 2.026 7.417 1.00 0.00 C ATOM 1593 C GLU A 106 3.908 3.485 7.832 1.00 0.00 C ATOM 1594 O GLU A 106 2.937 4.242 7.875 1.00 0.00 O ATOM 1595 CB GLU A 106 3.856 1.901 5.897 1.00 0.00 C ATOM 1596 CG GLU A 106 4.040 0.471 5.416 1.00 0.00 C ATOM 1597 CD GLU A 106 5.417 -0.078 5.735 1.00 0.00 C ATOM 1598 OE1 GLU A 106 6.385 0.317 5.052 1.00 0.00 O ATOM 1599 OE2 GLU A 106 5.525 -0.902 6.667 1.00 0.00 O ATOM 0 H GLU A 106 1.667 1.762 7.305 1.00 0.00 H new ATOM 0 HA GLU A 106 4.539 1.443 7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.958 2.317 5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.697 2.503 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.284 -0.164 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.877 0.430 4.339 1.00 0.00 H new ATOM 1606 N ILE A 107 5.142 3.873 8.137 1.00 0.00 N ATOM 1607 CA ILE A 107 5.433 5.241 8.548 1.00 0.00 C ATOM 1608 C ILE A 107 6.569 5.833 7.721 1.00 0.00 C ATOM 1609 O ILE A 107 7.713 5.390 7.813 1.00 0.00 O ATOM 1610 CB ILE A 107 5.807 5.314 10.040 1.00 0.00 C ATOM 1611 CG1 ILE A 107 4.739 4.623 10.891 1.00 0.00 C ATOM 1612 CG2 ILE A 107 5.981 6.761 10.473 1.00 0.00 C ATOM 1613 CD1 ILE A 107 5.270 4.069 12.194 1.00 0.00 C ATOM 0 H ILE A 107 5.956 3.259 8.107 1.00 0.00 H new ATOM 0 HA ILE A 107 4.525 5.820 8.381 1.00 0.00 H new ATOM 0 HB ILE A 107 6.754 4.795 10.187 1.00 0.00 H new ATOM 0 HG12 ILE A 107 3.941 5.334 11.106 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.296 3.811 10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.245 6.795 11.530 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.774 7.224 9.886 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.049 7.303 10.314 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.458 3.594 12.745 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.047 3.334 11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.688 4.880 12.791 1.00 0.00 H new ATOM 1625 N PHE A 108 6.245 6.839 6.915 1.00 0.00 N ATOM 1626 CA PHE A 108 7.239 7.493 6.072 1.00 0.00 C ATOM 1627 C PHE A 108 7.342 8.979 6.407 1.00 0.00 C ATOM 1628 O PHE A 108 6.331 9.652 6.606 1.00 0.00 O ATOM 1629 CB PHE A 108 6.881 7.316 4.595 1.00 0.00 C ATOM 1630 CG PHE A 108 5.620 8.026 4.193 1.00 0.00 C ATOM 1631 CD1 PHE A 108 5.579 9.409 4.127 1.00 0.00 C ATOM 1632 CD2 PHE A 108 4.475 7.310 3.882 1.00 0.00 C ATOM 1633 CE1 PHE A 108 4.420 10.066 3.758 1.00 0.00 C ATOM 1634 CE2 PHE A 108 3.314 7.961 3.512 1.00 0.00 C ATOM 1635 CZ PHE A 108 3.285 9.341 3.450 1.00 0.00 C ATOM 0 H PHE A 108 5.302 7.219 6.828 1.00 0.00 H new ATOM 0 HA PHE A 108 8.206 7.027 6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.705 7.683 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.774 6.253 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.463 9.981 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.490 6.231 3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.402 11.145 3.711 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.429 7.391 3.271 1.00 0.00 H new ATOM 0 HZ PHE A 108 2.378 9.851 3.162 1.00 0.00 H new ATOM 1645 N GLN A 109 8.571 9.480 6.467 1.00 0.00 N ATOM 1646 CA GLN A 109 8.807 10.886 6.779 1.00 0.00 C ATOM 1647 C GLN A 109 9.224 11.658 5.531 1.00 0.00 C ATOM 1648 O GLN A 109 10.280 11.401 4.952 1.00 0.00 O ATOM 1649 CB GLN A 109 9.884 11.016 7.857 1.00 0.00 C ATOM 1650 CG GLN A 109 10.222 12.457 8.207 1.00 0.00 C ATOM 1651 CD GLN A 109 11.533 12.581 8.958 1.00 0.00 C ATOM 1652 OE1 GLN A 109 11.783 11.856 9.921 1.00 0.00 O ATOM 1653 NE2 GLN A 109 12.380 13.506 8.521 1.00 0.00 N ATOM 0 H GLN A 109 9.418 8.935 6.304 1.00 0.00 H new ATOM 0 HA GLN A 109 7.875 11.311 7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 109 9.550 10.501 8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 109 10.789 10.511 7.518 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.274 13.047 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.419 12.878 8.812 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.133 14.086 7.719 1.00 0.00 H new ATOM 0 HE22 GLN A 109 13.278 13.637 8.987 1.00 0.00 H new ATOM 1662 N THR A 110 8.387 12.605 5.120 1.00 0.00 N ATOM 1663 CA THR A 110 8.666 13.413 3.941 1.00 0.00 C ATOM 1664 C THR A 110 10.086 13.966 3.977 1.00 0.00 C ATOM 1665 O THR A 110 10.786 13.845 4.984 1.00 0.00 O ATOM 1666 CB THR A 110 7.676 14.587 3.816 1.00 0.00 C ATOM 1667 OG1 THR A 110 7.535 15.247 5.078 1.00 0.00 O ATOM 1668 CG2 THR A 110 6.316 14.097 3.339 1.00 0.00 C ATOM 0 H THR A 110 7.509 12.831 5.588 1.00 0.00 H new ATOM 0 HA THR A 110 8.554 12.758 3.077 1.00 0.00 H new ATOM 0 HB THR A 110 8.071 15.290 3.082 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.822 15.916 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.633 14.942 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.422 13.621 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.918 13.376 4.053 1.00 0.00 H new ATOM 1676 N LEU A 111 10.509 14.571 2.873 1.00 0.00 N ATOM 1677 CA LEU A 111 11.848 15.143 2.779 1.00 0.00 C ATOM 1678 C LEU A 111 11.820 16.643 3.053 1.00 0.00 C ATOM 1679 O LEU A 111 10.882 17.350 2.682 1.00 0.00 O ATOM 1680 CB LEU A 111 12.441 14.878 1.394 1.00 0.00 C ATOM 1681 CG LEU A 111 12.657 13.409 1.026 1.00 0.00 C ATOM 1682 CD1 LEU A 111 12.917 13.264 -0.465 1.00 0.00 C ATOM 1683 CD2 LEU A 111 13.808 12.821 1.831 1.00 0.00 C ATOM 0 H LEU A 111 9.945 14.678 2.030 1.00 0.00 H new ATOM 0 HA LEU A 111 12.474 14.666 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.785 15.326 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 111 13.399 15.393 1.326 1.00 0.00 H new ATOM 0 HG LEU A 111 11.750 12.856 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.068 12.212 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.061 13.645 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.808 13.830 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.947 11.775 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 111 14.721 13.377 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.580 12.889 2.895 1.00 0.00 H new ATOM 1695 N PRO A 112 12.874 17.144 3.716 1.00 0.00 N ATOM 1696 CA PRO A 112 12.995 18.566 4.052 1.00 0.00 C ATOM 1697 C PRO A 112 13.232 19.434 2.822 1.00 0.00 C ATOM 1698 O PRO A 112 14.231 19.273 2.120 1.00 0.00 O ATOM 1699 CB PRO A 112 14.211 18.609 4.980 1.00 0.00 C ATOM 1700 CG PRO A 112 15.016 17.413 4.603 1.00 0.00 C ATOM 1701 CD PRO A 112 14.027 16.361 4.188 1.00 0.00 C ATOM 0 HA PRO A 112 12.083 18.957 4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 112 14.780 19.529 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.912 18.571 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 112 15.702 17.646 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 112 15.621 17.070 5.442 1.00 0.00 H new ATOM 0 HD2 PRO A 112 14.427 15.721 3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 112 13.758 15.712 5.021 1.00 0.00 H new ATOM 1709 N VAL A 113 12.309 20.355 2.565 1.00 0.00 N ATOM 1710 CA VAL A 113 12.419 21.250 1.419 1.00 0.00 C ATOM 1711 C VAL A 113 13.879 21.538 1.086 1.00 0.00 C ATOM 1712 O VAL A 113 14.534 22.335 1.757 1.00 0.00 O ATOM 1713 CB VAL A 113 11.690 22.583 1.676 1.00 0.00 C ATOM 1714 CG1 VAL A 113 10.212 22.456 1.342 1.00 0.00 C ATOM 1715 CG2 VAL A 113 11.883 23.026 3.118 1.00 0.00 C ATOM 0 H VAL A 113 11.476 20.501 3.135 1.00 0.00 H new ATOM 0 HA VAL A 113 11.949 20.744 0.575 1.00 0.00 H new ATOM 0 HB VAL A 113 12.121 23.344 1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.714 23.407 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 113 10.098 22.188 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.763 21.682 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.362 23.969 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.480 22.267 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.946 23.160 3.318 1.00 0.00 H new