USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 665 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 76 ASN :FLIP amide:sc= 0.848 F(o=0.73,f=1.3) USER MOD Set 1.2: A 100 SER OG : rot 13:sc= 0.472 USER MOD Set 2.1: A 58 CYS SG : rot 180:sc= -0.658 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 51 HIS : no HE2:sc= 0.847 K(o=1.9,f=-7.3) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -171:sc= 1.06 (180deg=-0.242) USER MOD Set 4.1: A 37 TYR OH : rot 38:sc= 1.26 USER MOD Set 4.2: A 47 THR OG1 : rot -119:sc= 0.202 USER MOD Set 5.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 35 SER OG : rot 51:sc= 0.913 USER MOD Set 6.1: A 23 CYS SG : rot -171:sc= 2.62 USER MOD Set 6.2: A 26 CYS SG : rot 180:sc= 0.653 USER MOD Set 6.3: A 71 CYS SG : rot -148:sc= 0.393! USER MOD Set 6.4: A 74 CYS SG : rot -56:sc= 0.367! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -11:sc= 0.55 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.332 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.218 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.446 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 62 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.5) USER MOD Single : A 68 LYS NZ :NH3+ -140:sc= 2.08 (180deg=-0.723) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.474 K(o=0.47,f=-3.4!) USER MOD Single : A 84 ASN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.68 K(o=-0.68,f=-2.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 261 N PRO A 18 61.187 52.131 46.994 1.00 0.00 N ATOM 262 CA PRO A 18 60.442 50.896 47.247 1.00 0.00 C ATOM 263 C PRO A 18 61.380 49.713 47.538 1.00 0.00 C ATOM 264 O PRO A 18 62.521 49.681 47.078 1.00 0.00 O ATOM 265 CB PRO A 18 59.591 50.658 45.995 1.00 0.00 C ATOM 266 CG PRO A 18 60.405 51.320 44.885 1.00 0.00 C ATOM 267 CD PRO A 18 61.046 52.512 45.589 1.00 0.00 C ATOM 0 HA PRO A 18 59.817 50.986 48.135 1.00 0.00 H new ATOM 0 HB2 PRO A 18 59.443 49.595 45.806 1.00 0.00 H new ATOM 0 HB3 PRO A 18 58.602 51.106 46.090 1.00 0.00 H new ATOM 0 HG2 PRO A 18 61.155 50.643 44.476 1.00 0.00 H new ATOM 0 HG3 PRO A 18 59.773 51.635 44.055 1.00 0.00 H new ATOM 0 HD2 PRO A 18 62.016 52.747 45.151 1.00 0.00 H new ATOM 0 HD3 PRO A 18 60.426 53.403 45.488 1.00 0.00 H new ATOM 275 N GLY A 19 60.874 48.733 48.294 1.00 0.00 N ATOM 276 CA GLY A 19 61.680 47.717 48.983 1.00 0.00 C ATOM 277 C GLY A 19 62.630 46.876 48.128 1.00 0.00 C ATOM 278 O GLY A 19 62.468 46.727 46.915 1.00 0.00 O ATOM 0 H GLY A 19 59.872 48.621 48.448 1.00 0.00 H new ATOM 0 HA2 GLY A 19 62.271 48.218 49.750 1.00 0.00 H new ATOM 0 HA3 GLY A 19 60.999 47.039 49.498 1.00 0.00 H new ATOM 282 N VAL A 20 63.640 46.330 48.799 1.00 0.00 N ATOM 283 CA VAL A 20 64.867 45.788 48.193 1.00 0.00 C ATOM 284 C VAL A 20 65.263 44.445 48.765 1.00 0.00 C ATOM 285 O VAL A 20 64.617 43.869 49.630 1.00 0.00 O ATOM 286 CB VAL A 20 66.013 46.810 48.339 1.00 0.00 C ATOM 287 CG1 VAL A 20 66.548 46.980 49.766 1.00 0.00 C ATOM 288 CG2 VAL A 20 67.191 46.701 47.355 1.00 0.00 C ATOM 0 H VAL A 20 63.633 46.247 49.816 1.00 0.00 H new ATOM 0 HA VAL A 20 64.662 45.617 47.136 1.00 0.00 H new ATOM 0 HB VAL A 20 65.474 47.713 48.054 1.00 0.00 H new ATOM 0 HG11 VAL A 20 67.350 47.718 49.768 1.00 0.00 H new ATOM 0 HG12 VAL A 20 65.743 47.317 50.419 1.00 0.00 H new ATOM 0 HG13 VAL A 20 66.932 46.026 50.127 1.00 0.00 H new ATOM 0 HG21 VAL A 20 67.921 47.480 47.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 67.662 45.723 47.458 1.00 0.00 H new ATOM 0 HG23 VAL A 20 66.826 46.822 46.335 1.00 0.00 H new ATOM 298 N TYR A 21 66.382 43.977 48.257 1.00 0.00 N ATOM 299 CA TYR A 21 67.001 42.703 48.611 1.00 0.00 C ATOM 300 C TYR A 21 68.283 42.876 49.432 1.00 0.00 C ATOM 301 O TYR A 21 68.983 43.884 49.310 1.00 0.00 O ATOM 302 CB TYR A 21 67.236 41.874 47.349 1.00 0.00 C ATOM 303 CG TYR A 21 65.961 41.382 46.677 1.00 0.00 C ATOM 304 CD1 TYR A 21 65.390 40.152 47.065 1.00 0.00 C ATOM 305 CD2 TYR A 21 65.341 42.151 45.674 1.00 0.00 C ATOM 306 CE1 TYR A 21 64.222 39.677 46.435 1.00 0.00 C ATOM 307 CE2 TYR A 21 64.168 41.686 45.047 1.00 0.00 C ATOM 308 CZ TYR A 21 63.614 40.444 45.418 1.00 0.00 C ATOM 309 OH TYR A 21 62.476 40.017 44.809 1.00 0.00 O ATOM 0 H TYR A 21 66.914 44.491 47.555 1.00 0.00 H new ATOM 0 HA TYR A 21 66.311 42.163 49.260 1.00 0.00 H new ATOM 0 HB2 TYR A 21 67.802 42.473 46.635 1.00 0.00 H new ATOM 0 HB3 TYR A 21 67.854 41.013 47.604 1.00 0.00 H new ATOM 0 HD1 TYR A 21 65.851 39.570 47.850 1.00 0.00 H new ATOM 0 HD2 TYR A 21 65.766 43.101 45.384 1.00 0.00 H new ATOM 0 HE1 TYR A 21 63.794 38.730 46.729 1.00 0.00 H new ATOM 0 HE2 TYR A 21 63.693 42.282 44.282 1.00 0.00 H new ATOM 0 HH TYR A 21 62.200 40.673 44.135 1.00 0.00 H new ATOM 319 N VAL A 22 68.587 41.880 50.268 1.00 0.00 N ATOM 320 CA VAL A 22 69.803 41.805 51.093 1.00 0.00 C ATOM 321 C VAL A 22 70.339 40.374 51.135 1.00 0.00 C ATOM 322 O VAL A 22 69.584 39.423 50.927 1.00 0.00 O ATOM 323 CB VAL A 22 69.605 42.341 52.530 1.00 0.00 C ATOM 324 CG1 VAL A 22 68.703 43.579 52.599 1.00 0.00 C ATOM 325 CG2 VAL A 22 68.978 41.336 53.508 1.00 0.00 C ATOM 0 H VAL A 22 67.975 41.074 50.396 1.00 0.00 H new ATOM 0 HA VAL A 22 70.534 42.457 50.614 1.00 0.00 H new ATOM 0 HB VAL A 22 70.630 42.569 52.822 1.00 0.00 H new ATOM 0 HG11 VAL A 22 68.607 43.902 53.636 1.00 0.00 H new ATOM 0 HG12 VAL A 22 69.142 44.383 52.008 1.00 0.00 H new ATOM 0 HG13 VAL A 22 67.718 43.334 52.203 1.00 0.00 H new ATOM 0 HG21 VAL A 22 68.877 41.798 54.490 1.00 0.00 H new ATOM 0 HG22 VAL A 22 67.994 41.039 53.144 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.617 40.456 53.585 1.00 0.00 H new ATOM 335 N CYS A 23 71.621 40.204 51.461 1.00 0.00 N ATOM 336 CA CYS A 23 72.238 38.880 51.496 1.00 0.00 C ATOM 337 C CYS A 23 71.631 37.972 52.589 1.00 0.00 C ATOM 338 O CYS A 23 71.362 38.416 53.711 1.00 0.00 O ATOM 339 CB CYS A 23 73.758 39.040 51.620 1.00 0.00 C ATOM 340 SG CYS A 23 74.544 37.408 51.483 1.00 0.00 S ATOM 0 H CYS A 23 72.252 40.968 51.705 1.00 0.00 H new ATOM 0 HA CYS A 23 72.023 38.363 50.561 1.00 0.00 H new ATOM 0 HB2 CYS A 23 74.131 39.703 50.839 1.00 0.00 H new ATOM 0 HB3 CYS A 23 74.011 39.499 52.576 1.00 0.00 H new ATOM 0 HG CYS A 23 75.806 37.508 51.777 1.00 0.00 H new ATOM 345 N ALA A 24 71.491 36.680 52.280 1.00 0.00 N ATOM 346 CA ALA A 24 71.078 35.681 53.264 1.00 0.00 C ATOM 347 C ALA A 24 72.100 35.534 54.405 1.00 0.00 C ATOM 348 O ALA A 24 71.702 35.332 55.554 1.00 0.00 O ATOM 349 CB ALA A 24 70.838 34.325 52.599 1.00 0.00 C ATOM 0 H ALA A 24 71.660 36.301 51.348 1.00 0.00 H new ATOM 0 HA ALA A 24 70.143 36.035 53.698 1.00 0.00 H new ATOM 0 HB1 ALA A 24 70.532 33.599 53.353 1.00 0.00 H new ATOM 0 HB2 ALA A 24 70.054 34.422 51.848 1.00 0.00 H new ATOM 0 HB3 ALA A 24 71.757 33.986 52.121 1.00 0.00 H new ATOM 355 N LYS A 25 73.404 35.662 54.119 1.00 0.00 N ATOM 356 CA LYS A 25 74.479 35.580 55.117 1.00 0.00 C ATOM 357 C LYS A 25 74.951 36.949 55.589 1.00 0.00 C ATOM 358 O LYS A 25 75.006 37.194 56.796 1.00 0.00 O ATOM 359 CB LYS A 25 75.607 34.676 54.609 1.00 0.00 C ATOM 360 CG LYS A 25 75.394 33.285 55.240 1.00 0.00 C ATOM 361 CD LYS A 25 76.211 32.187 54.576 1.00 0.00 C ATOM 362 CE LYS A 25 77.697 32.155 54.976 1.00 0.00 C ATOM 363 NZ LYS A 25 77.988 31.236 56.104 1.00 0.00 N ATOM 0 H LYS A 25 73.746 35.828 53.173 1.00 0.00 H new ATOM 0 HA LYS A 25 74.076 35.113 56.015 1.00 0.00 H new ATOM 0 HB2 LYS A 25 75.589 34.612 53.521 1.00 0.00 H new ATOM 0 HB3 LYS A 25 76.580 35.081 54.888 1.00 0.00 H new ATOM 0 HG2 LYS A 25 75.653 33.331 56.298 1.00 0.00 H new ATOM 0 HG3 LYS A 25 74.337 33.026 55.182 1.00 0.00 H new ATOM 0 HD2 LYS A 25 75.763 31.223 54.819 1.00 0.00 H new ATOM 0 HD3 LYS A 25 76.143 32.307 53.495 1.00 0.00 H new ATOM 0 HE2 LYS A 25 78.291 31.856 54.112 1.00 0.00 H new ATOM 0 HE3 LYS A 25 78.013 33.162 55.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 79.005 31.264 56.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 77.447 31.532 56.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 77.716 30.267 55.841 1.00 0.00 H new ATOM 377 N CYS A 26 75.203 37.848 54.648 1.00 0.00 N ATOM 378 CA CYS A 26 75.906 39.094 54.873 1.00 0.00 C ATOM 379 C CYS A 26 74.971 40.262 55.254 1.00 0.00 C ATOM 380 O CYS A 26 75.436 41.268 55.788 1.00 0.00 O ATOM 381 CB CYS A 26 76.758 39.371 53.623 1.00 0.00 C ATOM 382 SG CYS A 26 77.541 37.875 52.938 1.00 0.00 S ATOM 0 H CYS A 26 74.913 37.722 53.678 1.00 0.00 H new ATOM 0 HA CYS A 26 76.555 39.002 55.744 1.00 0.00 H new ATOM 0 HB2 CYS A 26 76.130 39.827 52.858 1.00 0.00 H new ATOM 0 HB3 CYS A 26 77.533 40.096 53.873 1.00 0.00 H new ATOM 0 HG CYS A 26 78.238 38.192 51.887 1.00 0.00 H new ATOM 387 N SER A 27 73.672 40.151 54.944 1.00 0.00 N ATOM 388 CA SER A 27 72.629 41.164 55.204 1.00 0.00 C ATOM 389 C SER A 27 72.915 42.562 54.628 1.00 0.00 C ATOM 390 O SER A 27 72.206 43.525 54.928 1.00 0.00 O ATOM 391 CB SER A 27 72.193 41.184 56.681 1.00 0.00 C ATOM 392 OG SER A 27 73.194 41.664 57.561 1.00 0.00 O ATOM 0 H SER A 27 73.299 39.319 54.486 1.00 0.00 H new ATOM 0 HA SER A 27 71.767 40.831 54.626 1.00 0.00 H new ATOM 0 HB2 SER A 27 71.304 41.807 56.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 71.910 40.175 56.981 1.00 0.00 H new ATOM 0 HG SER A 27 74.047 41.728 57.083 1.00 0.00 H new ATOM 398 N TYR A 28 73.922 42.666 53.750 1.00 0.00 N ATOM 399 CA TYR A 28 74.246 43.873 53.004 1.00 0.00 C ATOM 400 C TYR A 28 73.224 44.095 51.881 1.00 0.00 C ATOM 401 O TYR A 28 72.769 43.134 51.259 1.00 0.00 O ATOM 402 CB TYR A 28 75.688 43.833 52.508 1.00 0.00 C ATOM 403 CG TYR A 28 76.262 45.199 52.166 1.00 0.00 C ATOM 404 CD1 TYR A 28 75.986 45.799 50.921 1.00 0.00 C ATOM 405 CD2 TYR A 28 77.058 45.881 53.108 1.00 0.00 C ATOM 406 CE1 TYR A 28 76.495 47.079 50.622 1.00 0.00 C ATOM 407 CE2 TYR A 28 77.577 47.156 52.810 1.00 0.00 C ATOM 408 CZ TYR A 28 77.296 47.760 51.567 1.00 0.00 C ATOM 409 OH TYR A 28 77.794 48.994 51.277 1.00 0.00 O ATOM 0 H TYR A 28 74.546 41.887 53.539 1.00 0.00 H new ATOM 0 HA TYR A 28 74.177 44.737 53.665 1.00 0.00 H new ATOM 0 HB2 TYR A 28 76.312 43.369 53.272 1.00 0.00 H new ATOM 0 HB3 TYR A 28 75.740 43.197 51.625 1.00 0.00 H new ATOM 0 HD1 TYR A 28 75.383 45.276 50.194 1.00 0.00 H new ATOM 0 HD2 TYR A 28 77.271 45.424 54.063 1.00 0.00 H new ATOM 0 HE1 TYR A 28 76.273 47.540 49.671 1.00 0.00 H new ATOM 0 HE2 TYR A 28 78.191 47.671 53.534 1.00 0.00 H new ATOM 0 HH TYR A 28 78.322 49.320 52.035 1.00 0.00 H new ATOM 419 N GLU A 29 72.832 45.346 51.644 1.00 0.00 N ATOM 420 CA GLU A 29 71.574 45.677 50.967 1.00 0.00 C ATOM 421 C GLU A 29 71.802 46.155 49.525 1.00 0.00 C ATOM 422 O GLU A 29 72.364 47.234 49.309 1.00 0.00 O ATOM 423 CB GLU A 29 70.810 46.724 51.801 1.00 0.00 C ATOM 424 CG GLU A 29 70.787 46.419 53.309 1.00 0.00 C ATOM 425 CD GLU A 29 69.827 47.352 54.056 1.00 0.00 C ATOM 426 OE1 GLU A 29 70.050 48.583 54.054 1.00 0.00 O ATOM 427 OE2 GLU A 29 68.857 46.867 54.681 1.00 0.00 O ATOM 0 H GLU A 29 73.378 46.163 51.916 1.00 0.00 H new ATOM 0 HA GLU A 29 70.970 44.773 50.891 1.00 0.00 H new ATOM 0 HB2 GLU A 29 71.265 47.702 51.644 1.00 0.00 H new ATOM 0 HB3 GLU A 29 69.785 46.787 51.437 1.00 0.00 H new ATOM 0 HG2 GLU A 29 70.486 45.383 53.467 1.00 0.00 H new ATOM 0 HG3 GLU A 29 71.792 46.525 53.718 1.00 0.00 H new ATOM 434 N LEU A 30 71.378 45.364 48.533 1.00 0.00 N ATOM 435 CA LEU A 30 71.522 45.672 47.113 1.00 0.00 C ATOM 436 C LEU A 30 70.557 44.884 46.204 1.00 0.00 C ATOM 437 O LEU A 30 70.329 43.686 46.336 1.00 0.00 O ATOM 438 CB LEU A 30 72.996 45.557 46.662 1.00 0.00 C ATOM 439 CG LEU A 30 73.808 44.342 47.156 1.00 0.00 C ATOM 440 CD1 LEU A 30 73.253 43.013 46.655 1.00 0.00 C ATOM 441 CD2 LEU A 30 75.248 44.472 46.654 1.00 0.00 C ATOM 0 H LEU A 30 70.915 44.471 48.704 1.00 0.00 H new ATOM 0 HA LEU A 30 71.222 46.713 46.994 1.00 0.00 H new ATOM 0 HB2 LEU A 30 73.013 45.550 45.572 1.00 0.00 H new ATOM 0 HB3 LEU A 30 73.516 46.460 46.983 1.00 0.00 H new ATOM 0 HG LEU A 30 73.752 44.341 48.245 1.00 0.00 H new ATOM 0 HD11 LEU A 30 73.866 42.196 47.036 1.00 0.00 H new ATOM 0 HD12 LEU A 30 72.228 42.891 47.006 1.00 0.00 H new ATOM 0 HD13 LEU A 30 73.268 43.000 45.565 1.00 0.00 H new ATOM 0 HD21 LEU A 30 75.832 43.618 46.998 1.00 0.00 H new ATOM 0 HD22 LEU A 30 75.252 44.500 45.564 1.00 0.00 H new ATOM 0 HD23 LEU A 30 75.687 45.391 47.042 1.00 0.00 H new ATOM 453 N PHE A 31 70.013 45.614 45.240 1.00 0.00 N ATOM 454 CA PHE A 31 69.373 45.159 44.001 1.00 0.00 C ATOM 455 C PHE A 31 69.101 46.357 43.078 1.00 0.00 C ATOM 456 O PHE A 31 68.500 47.341 43.506 1.00 0.00 O ATOM 457 CB PHE A 31 68.055 44.419 44.273 1.00 0.00 C ATOM 458 CG PHE A 31 67.922 43.158 43.442 1.00 0.00 C ATOM 459 CD1 PHE A 31 68.475 41.947 43.902 1.00 0.00 C ATOM 460 CD2 PHE A 31 67.279 43.199 42.192 1.00 0.00 C ATOM 461 CE1 PHE A 31 68.345 40.776 43.139 1.00 0.00 C ATOM 462 CE2 PHE A 31 67.154 42.027 41.423 1.00 0.00 C ATOM 463 CZ PHE A 31 67.677 40.814 41.903 1.00 0.00 C ATOM 0 H PHE A 31 70.005 46.632 45.306 1.00 0.00 H new ATOM 0 HA PHE A 31 70.059 44.463 43.519 1.00 0.00 H new ATOM 0 HB2 PHE A 31 67.996 44.162 45.331 1.00 0.00 H new ATOM 0 HB3 PHE A 31 67.217 45.083 44.059 1.00 0.00 H new ATOM 0 HD1 PHE A 31 69.001 41.919 44.845 1.00 0.00 H new ATOM 0 HD2 PHE A 31 66.880 44.132 41.821 1.00 0.00 H new ATOM 0 HE1 PHE A 31 68.758 39.846 43.502 1.00 0.00 H new ATOM 0 HE2 PHE A 31 66.657 42.060 40.465 1.00 0.00 H new ATOM 0 HZ PHE A 31 67.566 39.911 41.322 1.00 0.00 H new ATOM 473 N SER A 32 69.492 46.265 41.805 1.00 0.00 N ATOM 474 CA SER A 32 69.208 47.305 40.806 1.00 0.00 C ATOM 475 C SER A 32 67.800 47.154 40.228 1.00 0.00 C ATOM 476 O SER A 32 67.325 46.043 39.964 1.00 0.00 O ATOM 477 CB SER A 32 70.293 47.322 39.723 1.00 0.00 C ATOM 478 OG SER A 32 69.944 48.126 38.611 1.00 0.00 O ATOM 0 H SER A 32 70.014 45.470 41.435 1.00 0.00 H new ATOM 0 HA SER A 32 69.232 48.276 41.300 1.00 0.00 H new ATOM 0 HB2 SER A 32 71.224 47.690 40.154 1.00 0.00 H new ATOM 0 HB3 SER A 32 70.479 46.303 39.385 1.00 0.00 H new ATOM 0 HG SER A 32 70.668 48.104 37.951 1.00 0.00 H new ATOM 484 N SER A 33 67.144 48.289 39.999 1.00 0.00 N ATOM 485 CA SER A 33 65.800 48.360 39.416 1.00 0.00 C ATOM 486 C SER A 33 65.810 48.396 37.889 1.00 0.00 C ATOM 487 O SER A 33 64.896 47.864 37.270 1.00 0.00 O ATOM 488 CB SER A 33 65.006 49.518 40.019 1.00 0.00 C ATOM 489 OG SER A 33 64.658 49.171 41.347 1.00 0.00 O ATOM 0 H SER A 33 67.537 49.205 40.217 1.00 0.00 H new ATOM 0 HA SER A 33 65.290 47.433 39.679 1.00 0.00 H new ATOM 0 HB2 SER A 33 65.599 50.432 40.008 1.00 0.00 H new ATOM 0 HB3 SER A 33 64.110 49.712 39.430 1.00 0.00 H new ATOM 0 HG SER A 33 64.148 49.903 41.753 1.00 0.00 H new ATOM 495 N HIS A 34 66.879 48.892 37.257 1.00 0.00 N ATOM 496 CA HIS A 34 67.041 48.804 35.797 1.00 0.00 C ATOM 497 C HIS A 34 67.169 47.367 35.263 1.00 0.00 C ATOM 498 O HIS A 34 66.974 47.141 34.068 1.00 0.00 O ATOM 499 CB HIS A 34 68.231 49.662 35.355 1.00 0.00 C ATOM 500 CG HIS A 34 67.958 51.143 35.437 1.00 0.00 C ATOM 501 ND1 HIS A 34 68.189 51.958 36.522 1.00 0.00 N ATOM 502 CD2 HIS A 34 67.449 51.933 34.441 1.00 0.00 C ATOM 503 CE1 HIS A 34 67.843 53.211 36.185 1.00 0.00 C ATOM 504 NE2 HIS A 34 67.393 53.252 34.916 1.00 0.00 N ATOM 0 H HIS A 34 67.649 49.361 37.734 1.00 0.00 H new ATOM 0 HA HIS A 34 66.120 49.190 35.359 1.00 0.00 H new ATOM 0 HB2 HIS A 34 69.094 49.423 35.977 1.00 0.00 H new ATOM 0 HB3 HIS A 34 68.496 49.404 34.330 1.00 0.00 H new ATOM 0 HD2 HIS A 34 67.144 51.599 33.460 1.00 0.00 H new ATOM 0 HE1 HIS A 34 67.915 54.067 36.840 1.00 0.00 H new ATOM 0 HE2 HIS A 34 67.076 54.075 34.404 1.00 0.00 H new ATOM 512 N SER A 35 67.432 46.401 36.143 1.00 0.00 N ATOM 513 CA SER A 35 67.541 44.982 35.866 1.00 0.00 C ATOM 514 C SER A 35 66.235 44.190 35.956 1.00 0.00 C ATOM 515 O SER A 35 66.119 43.116 35.364 1.00 0.00 O ATOM 516 CB SER A 35 68.599 44.336 36.772 1.00 0.00 C ATOM 517 OG SER A 35 68.873 45.044 37.972 1.00 0.00 O ATOM 0 H SER A 35 67.583 46.610 37.130 1.00 0.00 H new ATOM 0 HA SER A 35 67.840 44.932 34.819 1.00 0.00 H new ATOM 0 HB2 SER A 35 68.270 43.329 37.029 1.00 0.00 H new ATOM 0 HB3 SER A 35 69.526 44.234 36.208 1.00 0.00 H new ATOM 0 HG SER A 35 68.032 45.237 38.437 1.00 0.00 H new ATOM 523 N LYS A 36 65.270 44.682 36.742 1.00 0.00 N ATOM 524 CA LYS A 36 64.077 43.922 37.163 1.00 0.00 C ATOM 525 C LYS A 36 62.788 44.684 36.878 1.00 0.00 C ATOM 526 O LYS A 36 62.610 45.811 37.325 1.00 0.00 O ATOM 527 CB LYS A 36 64.204 43.473 38.634 1.00 0.00 C ATOM 528 CG LYS A 36 64.426 44.591 39.671 1.00 0.00 C ATOM 529 CD LYS A 36 63.182 44.970 40.489 1.00 0.00 C ATOM 530 CE LYS A 36 63.549 46.055 41.511 1.00 0.00 C ATOM 531 NZ LYS A 36 62.394 46.405 42.365 1.00 0.00 N ATOM 0 H LYS A 36 65.292 45.633 37.111 1.00 0.00 H new ATOM 0 HA LYS A 36 64.021 43.015 36.561 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.299 42.929 38.905 1.00 0.00 H new ATOM 0 HB3 LYS A 36 65.033 42.769 38.707 1.00 0.00 H new ATOM 0 HG2 LYS A 36 65.213 44.279 40.357 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.788 45.480 39.154 1.00 0.00 H new ATOM 0 HD2 LYS A 36 62.395 45.331 39.827 1.00 0.00 H new ATOM 0 HD3 LYS A 36 62.790 44.092 41.001 1.00 0.00 H new ATOM 0 HE2 LYS A 36 64.372 45.706 42.135 1.00 0.00 H new ATOM 0 HE3 LYS A 36 63.900 46.945 40.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.675 47.140 43.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 61.618 46.761 41.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 62.075 45.560 42.881 1.00 0.00 H new ATOM 545 N TYR A 37 61.873 44.051 36.151 1.00 0.00 N ATOM 546 CA TYR A 37 60.658 44.685 35.645 1.00 0.00 C ATOM 547 C TYR A 37 59.414 43.968 36.159 1.00 0.00 C ATOM 548 O TYR A 37 59.421 42.763 36.406 1.00 0.00 O ATOM 549 CB TYR A 37 60.670 44.745 34.112 1.00 0.00 C ATOM 550 CG TYR A 37 62.012 45.079 33.482 1.00 0.00 C ATOM 551 CD1 TYR A 37 62.714 46.230 33.891 1.00 0.00 C ATOM 552 CD2 TYR A 37 62.587 44.206 32.536 1.00 0.00 C ATOM 553 CE1 TYR A 37 64.000 46.489 33.382 1.00 0.00 C ATOM 554 CE2 TYR A 37 63.866 44.477 32.010 1.00 0.00 C ATOM 555 CZ TYR A 37 64.589 45.605 32.452 1.00 0.00 C ATOM 556 OH TYR A 37 65.855 45.814 32.004 1.00 0.00 O ATOM 0 H TYR A 37 61.955 43.068 35.892 1.00 0.00 H new ATOM 0 HA TYR A 37 60.630 45.709 36.019 1.00 0.00 H new ATOM 0 HB2 TYR A 37 60.336 43.782 33.725 1.00 0.00 H new ATOM 0 HB3 TYR A 37 59.941 45.488 33.789 1.00 0.00 H new ATOM 0 HD1 TYR A 37 62.265 46.914 34.596 1.00 0.00 H new ATOM 0 HD2 TYR A 37 62.046 43.328 32.214 1.00 0.00 H new ATOM 0 HE1 TYR A 37 64.539 47.368 33.704 1.00 0.00 H new ATOM 0 HE2 TYR A 37 64.294 43.820 31.267 1.00 0.00 H new ATOM 0 HH TYR A 37 66.410 46.154 32.737 1.00 0.00 H new ATOM 566 N ALA A 38 58.338 44.730 36.289 1.00 0.00 N ATOM 567 CA ALA A 38 57.054 44.235 36.765 1.00 0.00 C ATOM 568 C ALA A 38 56.341 43.369 35.710 1.00 0.00 C ATOM 569 O ALA A 38 56.229 43.754 34.542 1.00 0.00 O ATOM 570 CB ALA A 38 56.199 45.425 37.213 1.00 0.00 C ATOM 0 H ALA A 38 58.332 45.725 36.063 1.00 0.00 H new ATOM 0 HA ALA A 38 57.219 43.578 37.619 1.00 0.00 H new ATOM 0 HB1 ALA A 38 55.234 45.066 37.572 1.00 0.00 H new ATOM 0 HB2 ALA A 38 56.709 45.958 38.016 1.00 0.00 H new ATOM 0 HB3 ALA A 38 56.044 46.100 36.371 1.00 0.00 H new ATOM 576 N HIS A 39 55.846 42.211 36.151 1.00 0.00 N ATOM 577 CA HIS A 39 54.906 41.342 35.451 1.00 0.00 C ATOM 578 C HIS A 39 54.171 40.462 36.480 1.00 0.00 C ATOM 579 O HIS A 39 54.712 40.167 37.549 1.00 0.00 O ATOM 580 CB HIS A 39 55.658 40.462 34.435 1.00 0.00 C ATOM 581 CG HIS A 39 55.123 40.584 33.029 1.00 0.00 C ATOM 582 ND1 HIS A 39 54.154 39.811 32.425 1.00 0.00 N ATOM 583 CD2 HIS A 39 55.526 41.507 32.102 1.00 0.00 C ATOM 584 CE1 HIS A 39 53.987 40.253 31.170 1.00 0.00 C ATOM 585 NE2 HIS A 39 54.801 41.292 30.924 1.00 0.00 N ATOM 0 H HIS A 39 56.108 41.835 37.062 1.00 0.00 H new ATOM 0 HA HIS A 39 54.179 41.948 34.910 1.00 0.00 H new ATOM 0 HB2 HIS A 39 56.713 40.734 34.440 1.00 0.00 H new ATOM 0 HB3 HIS A 39 55.596 39.421 34.751 1.00 0.00 H new ATOM 0 HD2 HIS A 39 56.275 42.270 32.253 1.00 0.00 H new ATOM 0 HE1 HIS A 39 53.294 39.832 30.457 1.00 0.00 H new ATOM 0 HE2 HIS A 39 54.876 41.819 30.054 1.00 0.00 H new ATOM 593 N SER A 40 52.976 39.979 36.137 1.00 0.00 N ATOM 594 CA SER A 40 52.248 38.954 36.881 1.00 0.00 C ATOM 595 C SER A 40 52.205 37.659 36.068 1.00 0.00 C ATOM 596 O SER A 40 51.482 37.567 35.076 1.00 0.00 O ATOM 597 CB SER A 40 50.876 39.471 37.282 1.00 0.00 C ATOM 598 OG SER A 40 50.063 38.434 37.794 1.00 0.00 O ATOM 0 H SER A 40 52.474 40.301 35.309 1.00 0.00 H new ATOM 0 HA SER A 40 52.766 38.720 37.811 1.00 0.00 H new ATOM 0 HB2 SER A 40 50.986 40.254 38.033 1.00 0.00 H new ATOM 0 HB3 SER A 40 50.389 39.924 36.418 1.00 0.00 H new ATOM 0 HG SER A 40 49.188 38.798 38.044 1.00 0.00 H new ATOM 604 N SER A 41 53.059 36.699 36.428 1.00 0.00 N ATOM 605 CA SER A 41 53.224 35.409 35.737 1.00 0.00 C ATOM 606 C SER A 41 54.036 34.425 36.607 1.00 0.00 C ATOM 607 O SER A 41 54.803 34.884 37.463 1.00 0.00 O ATOM 608 CB SER A 41 53.981 35.635 34.414 1.00 0.00 C ATOM 609 OG SER A 41 53.649 34.658 33.446 1.00 0.00 O ATOM 0 H SER A 41 53.677 36.797 37.234 1.00 0.00 H new ATOM 0 HA SER A 41 52.236 34.989 35.547 1.00 0.00 H new ATOM 0 HB2 SER A 41 53.746 36.626 34.026 1.00 0.00 H new ATOM 0 HB3 SER A 41 55.055 35.612 34.601 1.00 0.00 H new ATOM 0 HG SER A 41 54.146 34.834 32.620 1.00 0.00 H new ATOM 615 N PRO A 42 53.948 33.095 36.393 1.00 0.00 N ATOM 616 CA PRO A 42 55.025 32.160 36.746 1.00 0.00 C ATOM 617 C PRO A 42 56.356 32.517 36.051 1.00 0.00 C ATOM 618 O PRO A 42 56.434 33.462 35.265 1.00 0.00 O ATOM 619 CB PRO A 42 54.508 30.780 36.313 1.00 0.00 C ATOM 620 CG PRO A 42 53.571 31.114 35.157 1.00 0.00 C ATOM 621 CD PRO A 42 52.913 32.394 35.649 1.00 0.00 C ATOM 0 HA PRO A 42 55.252 32.194 37.812 1.00 0.00 H new ATOM 0 HB2 PRO A 42 55.320 30.125 35.998 1.00 0.00 H new ATOM 0 HB3 PRO A 42 53.985 30.272 37.123 1.00 0.00 H new ATOM 0 HG2 PRO A 42 54.112 31.265 34.223 1.00 0.00 H new ATOM 0 HG3 PRO A 42 52.843 30.322 34.979 1.00 0.00 H new ATOM 0 HD2 PRO A 42 52.551 32.996 34.815 1.00 0.00 H new ATOM 0 HD3 PRO A 42 52.053 32.176 36.282 1.00 0.00 H new ATOM 629 N TRP A 43 57.418 31.756 36.336 1.00 0.00 N ATOM 630 CA TRP A 43 58.756 31.934 35.763 1.00 0.00 C ATOM 631 C TRP A 43 59.389 33.344 35.930 1.00 0.00 C ATOM 632 O TRP A 43 60.072 33.799 35.008 1.00 0.00 O ATOM 633 CB TRP A 43 58.699 31.451 34.302 1.00 0.00 C ATOM 634 CG TRP A 43 57.888 30.208 34.052 1.00 0.00 C ATOM 635 CD1 TRP A 43 56.782 30.141 33.278 1.00 0.00 C ATOM 636 CD2 TRP A 43 58.051 28.874 34.621 1.00 0.00 C ATOM 637 NE1 TRP A 43 56.246 28.869 33.337 1.00 0.00 N ATOM 638 CE2 TRP A 43 57.008 28.036 34.126 1.00 0.00 C ATOM 639 CE3 TRP A 43 58.963 28.299 35.529 1.00 0.00 C ATOM 640 CZ2 TRP A 43 56.902 26.683 34.483 1.00 0.00 C ATOM 641 CZ3 TRP A 43 58.870 26.941 35.893 1.00 0.00 C ATOM 642 CH2 TRP A 43 57.847 26.133 35.365 1.00 0.00 C ATOM 0 H TRP A 43 57.368 30.976 36.991 1.00 0.00 H new ATOM 0 HA TRP A 43 59.453 31.328 36.342 1.00 0.00 H new ATOM 0 HB2 TRP A 43 58.293 32.256 33.689 1.00 0.00 H new ATOM 0 HB3 TRP A 43 59.718 31.272 33.959 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.378 30.959 32.700 1.00 0.00 H new ATOM 0 HE1 TRP A 43 55.393 28.583 32.857 1.00 0.00 H new ATOM 0 HE3 TRP A 43 59.746 28.910 35.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.105 26.073 34.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 59.588 26.519 36.581 1.00 0.00 H new ATOM 0 HH2 TRP A 43 57.788 25.090 35.638 1.00 0.00 H new ATOM 653 N PRO A 44 59.220 34.062 37.067 1.00 0.00 N ATOM 654 CA PRO A 44 59.783 35.402 37.229 1.00 0.00 C ATOM 655 C PRO A 44 61.316 35.374 37.264 1.00 0.00 C ATOM 656 O PRO A 44 61.933 34.741 38.121 1.00 0.00 O ATOM 657 CB PRO A 44 59.187 35.958 38.523 1.00 0.00 C ATOM 658 CG PRO A 44 58.932 34.703 39.353 1.00 0.00 C ATOM 659 CD PRO A 44 58.535 33.674 38.296 1.00 0.00 C ATOM 0 HA PRO A 44 59.532 36.040 36.382 1.00 0.00 H new ATOM 0 HB2 PRO A 44 59.875 36.640 39.023 1.00 0.00 H new ATOM 0 HB3 PRO A 44 58.267 36.513 38.338 1.00 0.00 H new ATOM 0 HG2 PRO A 44 59.821 34.395 39.904 1.00 0.00 H new ATOM 0 HG3 PRO A 44 58.140 34.857 40.086 1.00 0.00 H new ATOM 0 HD2 PRO A 44 58.827 32.670 38.603 1.00 0.00 H new ATOM 0 HD3 PRO A 44 57.455 33.662 38.152 1.00 0.00 H new ATOM 667 N ALA A 45 61.922 36.092 36.322 1.00 0.00 N ATOM 668 CA ALA A 45 63.365 36.170 36.130 1.00 0.00 C ATOM 669 C ALA A 45 63.754 37.504 35.461 1.00 0.00 C ATOM 670 O ALA A 45 63.015 38.042 34.628 1.00 0.00 O ATOM 671 CB ALA A 45 63.802 34.944 35.318 1.00 0.00 C ATOM 0 H ALA A 45 61.402 36.655 35.648 1.00 0.00 H new ATOM 0 HA ALA A 45 63.886 36.156 37.087 1.00 0.00 H new ATOM 0 HB1 ALA A 45 64.880 34.978 35.160 1.00 0.00 H new ATOM 0 HB2 ALA A 45 63.543 34.036 35.863 1.00 0.00 H new ATOM 0 HB3 ALA A 45 63.294 34.946 34.354 1.00 0.00 H new ATOM 677 N PHE A 46 64.918 38.032 35.831 1.00 0.00 N ATOM 678 CA PHE A 46 65.373 39.399 35.538 1.00 0.00 C ATOM 679 C PHE A 46 66.420 39.367 34.426 1.00 0.00 C ATOM 680 O PHE A 46 67.135 38.379 34.304 1.00 0.00 O ATOM 681 CB PHE A 46 65.882 40.009 36.851 1.00 0.00 C ATOM 682 CG PHE A 46 64.898 39.946 38.013 1.00 0.00 C ATOM 683 CD1 PHE A 46 63.534 40.255 37.829 1.00 0.00 C ATOM 684 CD2 PHE A 46 65.350 39.553 39.286 1.00 0.00 C ATOM 685 CE1 PHE A 46 62.637 40.178 38.912 1.00 0.00 C ATOM 686 CE2 PHE A 46 64.457 39.491 40.371 1.00 0.00 C ATOM 687 CZ PHE A 46 63.100 39.803 40.184 1.00 0.00 C ATOM 0 H PHE A 46 65.604 37.500 36.367 1.00 0.00 H new ATOM 0 HA PHE A 46 64.566 40.030 35.165 1.00 0.00 H new ATOM 0 HB2 PHE A 46 66.798 39.495 37.142 1.00 0.00 H new ATOM 0 HB3 PHE A 46 66.144 41.052 36.672 1.00 0.00 H new ATOM 0 HD1 PHE A 46 63.176 40.552 36.854 1.00 0.00 H new ATOM 0 HD2 PHE A 46 66.389 39.297 39.431 1.00 0.00 H new ATOM 0 HE1 PHE A 46 61.592 40.408 38.764 1.00 0.00 H new ATOM 0 HE2 PHE A 46 64.815 39.203 41.349 1.00 0.00 H new ATOM 0 HZ PHE A 46 62.414 39.755 41.017 1.00 0.00 H new ATOM 697 N THR A 47 66.504 40.385 33.571 1.00 0.00 N ATOM 698 CA THR A 47 67.407 40.339 32.400 1.00 0.00 C ATOM 699 C THR A 47 68.879 40.329 32.799 1.00 0.00 C ATOM 700 O THR A 47 69.688 39.569 32.273 1.00 0.00 O ATOM 701 CB THR A 47 67.170 41.534 31.463 1.00 0.00 C ATOM 702 OG1 THR A 47 66.796 42.677 32.204 1.00 0.00 O ATOM 703 CG2 THR A 47 66.037 41.260 30.476 1.00 0.00 C ATOM 0 H THR A 47 65.967 41.248 33.657 1.00 0.00 H new ATOM 0 HA THR A 47 67.174 39.407 31.885 1.00 0.00 H new ATOM 0 HB THR A 47 68.105 41.696 30.927 1.00 0.00 H new ATOM 0 HG1 THR A 47 65.902 42.968 31.927 1.00 0.00 H new ATOM 0 HG21 THR A 47 65.899 42.127 29.830 1.00 0.00 H new ATOM 0 HG22 THR A 47 66.287 40.391 29.868 1.00 0.00 H new ATOM 0 HG23 THR A 47 65.115 41.066 31.025 1.00 0.00 H new ATOM 711 N GLU A 48 69.207 41.164 33.774 1.00 0.00 N ATOM 712 CA GLU A 48 70.533 41.443 34.272 1.00 0.00 C ATOM 713 C GLU A 48 70.566 41.440 35.804 1.00 0.00 C ATOM 714 O GLU A 48 69.559 41.312 36.499 1.00 0.00 O ATOM 715 CB GLU A 48 71.037 42.778 33.685 1.00 0.00 C ATOM 716 CG GLU A 48 70.012 43.823 33.285 1.00 0.00 C ATOM 717 CD GLU A 48 70.530 45.261 33.412 1.00 0.00 C ATOM 718 OE1 GLU A 48 70.494 45.813 34.537 1.00 0.00 O ATOM 719 OE2 GLU A 48 70.993 45.807 32.387 1.00 0.00 O ATOM 0 H GLU A 48 68.495 41.701 34.270 1.00 0.00 H new ATOM 0 HA GLU A 48 71.208 40.651 33.948 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.705 43.231 34.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.638 42.548 32.805 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.705 43.645 32.255 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.124 43.708 33.907 1.00 0.00 H new ATOM 726 N THR A 49 71.780 41.573 36.318 1.00 0.00 N ATOM 727 CA THR A 49 72.119 41.619 37.747 1.00 0.00 C ATOM 728 C THR A 49 73.044 42.786 38.056 1.00 0.00 C ATOM 729 O THR A 49 73.765 43.287 37.196 1.00 0.00 O ATOM 730 CB THR A 49 72.698 40.280 38.251 1.00 0.00 C ATOM 731 OG1 THR A 49 73.379 40.368 39.486 1.00 0.00 O ATOM 732 CG2 THR A 49 73.629 39.569 37.269 1.00 0.00 C ATOM 0 H THR A 49 72.605 41.657 35.724 1.00 0.00 H new ATOM 0 HA THR A 49 71.190 41.781 38.294 1.00 0.00 H new ATOM 0 HB THR A 49 71.789 39.690 38.372 1.00 0.00 H new ATOM 0 HG1 THR A 49 73.714 39.482 39.739 1.00 0.00 H new ATOM 0 HG21 THR A 49 73.984 38.639 37.713 1.00 0.00 H new ATOM 0 HG22 THR A 49 73.088 39.348 36.349 1.00 0.00 H new ATOM 0 HG23 THR A 49 74.480 40.212 37.044 1.00 0.00 H new ATOM 740 N ILE A 50 73.040 43.184 39.328 1.00 0.00 N ATOM 741 CA ILE A 50 73.987 44.133 39.914 1.00 0.00 C ATOM 742 C ILE A 50 75.437 43.626 39.832 1.00 0.00 C ATOM 743 O ILE A 50 76.362 44.430 39.745 1.00 0.00 O ATOM 744 CB ILE A 50 73.607 44.412 41.387 1.00 0.00 C ATOM 745 CG1 ILE A 50 72.100 44.338 41.705 1.00 0.00 C ATOM 746 CG2 ILE A 50 74.136 45.789 41.819 1.00 0.00 C ATOM 747 CD1 ILE A 50 71.641 42.929 42.129 1.00 0.00 C ATOM 0 H ILE A 50 72.354 42.843 40.002 1.00 0.00 H new ATOM 0 HA ILE A 50 73.930 45.056 39.337 1.00 0.00 H new ATOM 0 HB ILE A 50 74.076 43.605 41.950 1.00 0.00 H new ATOM 0 HG12 ILE A 50 71.868 45.045 42.502 1.00 0.00 H new ATOM 0 HG13 ILE A 50 71.534 44.650 40.827 1.00 0.00 H new ATOM 0 HG21 ILE A 50 73.862 45.974 42.858 1.00 0.00 H new ATOM 0 HG22 ILE A 50 75.221 45.809 41.721 1.00 0.00 H new ATOM 0 HG23 ILE A 50 73.700 46.561 41.186 1.00 0.00 H new ATOM 0 HD11 ILE A 50 70.572 42.943 42.339 1.00 0.00 H new ATOM 0 HD12 ILE A 50 71.844 42.223 41.324 1.00 0.00 H new ATOM 0 HD13 ILE A 50 72.183 42.624 43.024 1.00 0.00 H new ATOM 759 N HIS A 51 75.604 42.299 39.894 1.00 0.00 N ATOM 760 CA HIS A 51 76.864 41.535 39.957 1.00 0.00 C ATOM 761 C HIS A 51 78.092 42.327 40.486 1.00 0.00 C ATOM 762 O HIS A 51 79.009 42.635 39.716 1.00 0.00 O ATOM 763 CB HIS A 51 77.133 40.825 38.616 1.00 0.00 C ATOM 764 CG HIS A 51 78.164 39.717 38.716 1.00 0.00 C ATOM 765 ND1 HIS A 51 79.425 39.827 39.259 1.00 0.00 N ATOM 766 CD2 HIS A 51 78.025 38.413 38.312 1.00 0.00 C ATOM 767 CE1 HIS A 51 80.022 38.630 39.202 1.00 0.00 C ATOM 768 NE2 HIS A 51 79.208 37.726 38.625 1.00 0.00 N ATOM 0 H HIS A 51 74.796 41.677 39.902 1.00 0.00 H new ATOM 0 HA HIS A 51 76.716 40.775 40.724 1.00 0.00 H new ATOM 0 HB2 HIS A 51 76.198 40.408 38.240 1.00 0.00 H new ATOM 0 HB3 HIS A 51 77.471 41.560 37.886 1.00 0.00 H new ATOM 0 HD1 HIS A 51 79.836 40.679 39.641 1.00 0.00 H new ATOM 0 HD2 HIS A 51 77.154 37.988 37.835 1.00 0.00 H new ATOM 0 HE1 HIS A 51 81.016 38.419 39.567 1.00 0.00 H new ATOM 776 N PRO A 52 78.163 42.662 41.789 1.00 0.00 N ATOM 777 CA PRO A 52 79.403 43.156 42.390 1.00 0.00 C ATOM 778 C PRO A 52 80.515 42.093 42.334 1.00 0.00 C ATOM 779 O PRO A 52 80.257 40.895 42.269 1.00 0.00 O ATOM 780 CB PRO A 52 79.033 43.529 43.829 1.00 0.00 C ATOM 781 CG PRO A 52 77.882 42.574 44.146 1.00 0.00 C ATOM 782 CD PRO A 52 77.143 42.481 42.811 1.00 0.00 C ATOM 0 HA PRO A 52 79.804 44.015 41.851 1.00 0.00 H new ATOM 0 HB2 PRO A 52 79.872 43.390 44.511 1.00 0.00 H new ATOM 0 HB3 PRO A 52 78.726 44.572 43.910 1.00 0.00 H new ATOM 0 HG2 PRO A 52 78.243 41.600 44.477 1.00 0.00 H new ATOM 0 HG3 PRO A 52 77.241 42.962 44.937 1.00 0.00 H new ATOM 0 HD2 PRO A 52 76.647 41.517 42.704 1.00 0.00 H new ATOM 0 HD3 PRO A 52 76.371 43.247 42.735 1.00 0.00 H new ATOM 790 N ASP A 53 81.770 42.510 42.453 1.00 0.00 N ATOM 791 CA ASP A 53 82.963 41.654 42.499 1.00 0.00 C ATOM 792 C ASP A 53 83.115 40.880 43.828 1.00 0.00 C ATOM 793 O ASP A 53 84.102 40.174 44.055 1.00 0.00 O ATOM 794 CB ASP A 53 84.196 42.503 42.147 1.00 0.00 C ATOM 795 CG ASP A 53 84.378 43.755 43.013 1.00 0.00 C ATOM 796 OD1 ASP A 53 83.773 43.860 44.104 1.00 0.00 O ATOM 797 OD2 ASP A 53 85.082 44.698 42.583 1.00 0.00 O ATOM 0 H ASP A 53 82.001 43.501 42.524 1.00 0.00 H new ATOM 0 HA ASP A 53 82.854 40.866 41.754 1.00 0.00 H new ATOM 0 HB2 ASP A 53 85.087 41.881 42.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 84.125 42.807 41.103 1.00 0.00 H new ATOM 802 N SER A 54 82.119 41.005 44.709 1.00 0.00 N ATOM 803 CA SER A 54 81.900 40.149 45.884 1.00 0.00 C ATOM 804 C SER A 54 81.207 38.819 45.581 1.00 0.00 C ATOM 805 O SER A 54 81.263 37.881 46.373 1.00 0.00 O ATOM 806 CB SER A 54 81.049 40.906 46.901 1.00 0.00 C ATOM 807 OG SER A 54 81.866 41.693 47.746 1.00 0.00 O ATOM 0 H SER A 54 81.412 41.735 44.622 1.00 0.00 H new ATOM 0 HA SER A 54 82.892 39.909 46.266 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.333 41.543 46.382 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.472 40.200 47.498 1.00 0.00 H new ATOM 0 HG SER A 54 81.304 42.172 48.390 1.00 0.00 H new ATOM 813 N VAL A 55 80.549 38.755 44.433 1.00 0.00 N ATOM 814 CA VAL A 55 79.819 37.578 43.938 1.00 0.00 C ATOM 815 C VAL A 55 80.424 37.047 42.638 1.00 0.00 C ATOM 816 O VAL A 55 81.267 37.682 41.994 1.00 0.00 O ATOM 817 CB VAL A 55 78.291 37.806 43.844 1.00 0.00 C ATOM 818 CG1 VAL A 55 77.722 38.386 45.146 1.00 0.00 C ATOM 819 CG2 VAL A 55 77.835 38.695 42.683 1.00 0.00 C ATOM 0 H VAL A 55 80.502 39.546 43.791 1.00 0.00 H new ATOM 0 HA VAL A 55 79.943 36.796 44.687 1.00 0.00 H new ATOM 0 HB VAL A 55 77.898 36.806 43.658 1.00 0.00 H new ATOM 0 HG11 VAL A 55 76.647 38.532 45.040 1.00 0.00 H new ATOM 0 HG12 VAL A 55 77.916 37.696 45.967 1.00 0.00 H new ATOM 0 HG13 VAL A 55 78.199 39.343 45.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 76.750 38.793 42.704 1.00 0.00 H new ATOM 0 HG22 VAL A 55 78.290 39.681 42.779 1.00 0.00 H new ATOM 0 HG23 VAL A 55 78.140 38.245 41.738 1.00 0.00 H new ATOM 829 N THR A 56 80.019 35.838 42.268 1.00 0.00 N ATOM 830 CA THR A 56 80.397 35.202 41.003 1.00 0.00 C ATOM 831 C THR A 56 79.349 34.212 40.517 1.00 0.00 C ATOM 832 O THR A 56 78.351 33.942 41.174 1.00 0.00 O ATOM 833 CB THR A 56 81.782 34.572 41.104 1.00 0.00 C ATOM 834 OG1 THR A 56 82.281 34.375 39.801 1.00 0.00 O ATOM 835 CG2 THR A 56 81.855 33.258 41.883 1.00 0.00 C ATOM 0 H THR A 56 79.409 35.259 42.845 1.00 0.00 H new ATOM 0 HA THR A 56 80.445 35.984 40.245 1.00 0.00 H new ATOM 0 HB THR A 56 82.387 35.272 41.680 1.00 0.00 H new ATOM 0 HG1 THR A 56 83.173 33.972 39.850 1.00 0.00 H new ATOM 0 HG21 THR A 56 82.884 32.898 41.893 1.00 0.00 H new ATOM 0 HG22 THR A 56 81.518 33.423 42.906 1.00 0.00 H new ATOM 0 HG23 THR A 56 81.215 32.516 41.405 1.00 0.00 H new ATOM 843 N LYS A 57 79.558 33.679 39.324 1.00 0.00 N ATOM 844 CA LYS A 57 78.725 32.686 38.683 1.00 0.00 C ATOM 845 C LYS A 57 79.498 31.553 38.038 1.00 0.00 C ATOM 846 O LYS A 57 80.662 31.710 37.676 1.00 0.00 O ATOM 847 CB LYS A 57 77.793 33.361 37.712 1.00 0.00 C ATOM 848 CG LYS A 57 78.275 34.525 36.876 1.00 0.00 C ATOM 849 CD LYS A 57 79.491 34.278 35.974 1.00 0.00 C ATOM 850 CE LYS A 57 80.850 34.748 36.527 1.00 0.00 C ATOM 851 NZ LYS A 57 80.883 36.213 36.779 1.00 0.00 N ATOM 0 H LYS A 57 80.358 33.945 38.750 1.00 0.00 H new ATOM 0 HA LYS A 57 78.142 32.202 39.466 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.435 32.596 37.024 1.00 0.00 H new ATOM 0 HB3 LYS A 57 76.930 33.708 38.281 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.448 34.856 36.247 1.00 0.00 H new ATOM 0 HG3 LYS A 57 78.514 35.349 37.548 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.555 33.209 35.769 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.318 34.776 35.020 1.00 0.00 H new ATOM 0 HE2 LYS A 57 81.065 34.218 37.455 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.637 34.486 35.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 81.856 36.505 37.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.556 36.719 35.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.260 36.442 37.580 1.00 0.00 H new ATOM 865 N CYS A 58 78.821 30.419 37.925 1.00 0.00 N ATOM 866 CA CYS A 58 79.454 29.144 37.596 1.00 0.00 C ATOM 867 C CYS A 58 78.536 28.106 36.912 1.00 0.00 C ATOM 868 O CYS A 58 77.329 28.093 37.134 1.00 0.00 O ATOM 869 CB CYS A 58 80.082 28.612 38.885 1.00 0.00 C ATOM 870 SG CYS A 58 78.940 28.576 40.301 1.00 0.00 S ATOM 0 H CYS A 58 77.812 30.354 38.059 1.00 0.00 H new ATOM 0 HA CYS A 58 80.209 29.324 36.830 1.00 0.00 H new ATOM 0 HB2 CYS A 58 80.456 27.604 38.706 1.00 0.00 H new ATOM 0 HB3 CYS A 58 80.943 29.230 39.140 1.00 0.00 H new ATOM 0 HG CYS A 58 79.558 28.110 41.345 1.00 0.00 H new ATOM 876 N PRO A 59 79.074 27.209 36.068 1.00 0.00 N ATOM 877 CA PRO A 59 78.259 26.303 35.260 1.00 0.00 C ATOM 878 C PRO A 59 77.542 25.207 36.049 1.00 0.00 C ATOM 879 O PRO A 59 78.002 24.734 37.090 1.00 0.00 O ATOM 880 CB PRO A 59 79.203 25.727 34.201 1.00 0.00 C ATOM 881 CG PRO A 59 80.583 25.830 34.854 1.00 0.00 C ATOM 882 CD PRO A 59 80.477 27.099 35.701 1.00 0.00 C ATOM 0 HA PRO A 59 77.432 26.858 34.818 1.00 0.00 H new ATOM 0 HB2 PRO A 59 78.951 24.695 33.958 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.156 26.294 33.271 1.00 0.00 H new ATOM 0 HG2 PRO A 59 80.805 24.955 35.466 1.00 0.00 H new ATOM 0 HG3 PRO A 59 81.376 25.908 34.110 1.00 0.00 H new ATOM 0 HD2 PRO A 59 81.110 27.033 36.586 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.805 27.974 35.139 1.00 0.00 H new ATOM 890 N GLU A 60 76.408 24.761 35.512 1.00 0.00 N ATOM 891 CA GLU A 60 75.754 23.528 35.913 1.00 0.00 C ATOM 892 C GLU A 60 76.472 22.295 35.379 1.00 0.00 C ATOM 893 O GLU A 60 77.115 22.320 34.332 1.00 0.00 O ATOM 894 CB GLU A 60 74.312 23.471 35.436 1.00 0.00 C ATOM 895 CG GLU A 60 73.415 24.621 35.893 1.00 0.00 C ATOM 896 CD GLU A 60 73.096 24.449 37.376 1.00 0.00 C ATOM 897 OE1 GLU A 60 74.017 24.635 38.201 1.00 0.00 O ATOM 898 OE2 GLU A 60 71.954 24.039 37.679 1.00 0.00 O ATOM 0 H GLU A 60 75.913 25.260 34.773 1.00 0.00 H new ATOM 0 HA GLU A 60 75.785 23.525 37.003 1.00 0.00 H new ATOM 0 HB2 GLU A 60 74.310 23.445 34.346 1.00 0.00 H new ATOM 0 HB3 GLU A 60 73.873 22.534 35.778 1.00 0.00 H new ATOM 0 HG2 GLU A 60 73.913 25.576 35.724 1.00 0.00 H new ATOM 0 HG3 GLU A 60 72.494 24.634 35.310 1.00 0.00 H new ATOM 905 N LYS A 61 76.312 21.190 36.102 1.00 0.00 N ATOM 906 CA LYS A 61 77.098 19.964 35.925 1.00 0.00 C ATOM 907 C LYS A 61 76.335 18.769 35.394 1.00 0.00 C ATOM 908 O LYS A 61 76.895 17.854 34.801 1.00 0.00 O ATOM 909 CB LYS A 61 77.777 19.669 37.251 1.00 0.00 C ATOM 910 CG LYS A 61 79.044 18.821 37.207 1.00 0.00 C ATOM 911 CD LYS A 61 80.170 19.636 36.568 1.00 0.00 C ATOM 912 CE LYS A 61 81.550 18.994 36.769 1.00 0.00 C ATOM 913 NZ LYS A 61 81.627 17.634 36.189 1.00 0.00 N ATOM 0 H LYS A 61 75.617 21.116 36.845 1.00 0.00 H new ATOM 0 HA LYS A 61 77.826 20.146 35.135 1.00 0.00 H new ATOM 0 HB2 LYS A 61 78.022 20.620 37.725 1.00 0.00 H new ATOM 0 HB3 LYS A 61 77.056 19.167 37.897 1.00 0.00 H new ATOM 0 HG2 LYS A 61 79.327 18.515 38.214 1.00 0.00 H new ATOM 0 HG3 LYS A 61 78.867 17.910 36.635 1.00 0.00 H new ATOM 0 HD2 LYS A 61 79.975 19.744 35.501 1.00 0.00 H new ATOM 0 HD3 LYS A 61 80.174 20.639 36.994 1.00 0.00 H new ATOM 0 HE2 LYS A 61 82.312 19.625 36.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 81.774 18.945 37.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 82.595 17.268 36.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 80.966 17.006 36.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 81.374 17.672 35.181 1.00 0.00 H new ATOM 927 N ASN A 62 75.037 18.804 35.626 1.00 0.00 N ATOM 928 CA ASN A 62 74.026 17.871 35.166 1.00 0.00 C ATOM 929 C ASN A 62 72.909 18.624 34.429 1.00 0.00 C ATOM 930 O ASN A 62 71.925 18.002 34.029 1.00 0.00 O ATOM 931 CB ASN A 62 73.566 17.020 36.372 1.00 0.00 C ATOM 932 CG ASN A 62 73.598 17.780 37.673 1.00 0.00 C ATOM 933 OD1 ASN A 62 72.918 18.771 37.872 1.00 0.00 O ATOM 934 ND2 ASN A 62 74.508 17.378 38.518 1.00 0.00 N ATOM 0 H ASN A 62 74.628 19.550 36.189 1.00 0.00 H new ATOM 0 HA ASN A 62 74.419 17.173 34.427 1.00 0.00 H new ATOM 0 HB2 ASN A 62 72.553 16.661 36.192 1.00 0.00 H new ATOM 0 HB3 ASN A 62 74.205 16.141 36.455 1.00 0.00 H new ATOM 0 HD21 ASN A 62 74.669 17.899 39.380 1.00 0.00 H new ATOM 0 HD22 ASN A 62 75.058 16.543 38.316 1.00 0.00 H new ATOM 941 N ARG A 63 73.088 19.944 34.218 1.00 0.00 N ATOM 942 CA ARG A 63 72.169 20.804 33.464 1.00 0.00 C ATOM 943 C ARG A 63 72.870 21.754 32.470 1.00 0.00 C ATOM 944 O ARG A 63 72.746 22.968 32.613 1.00 0.00 O ATOM 945 CB ARG A 63 71.222 21.554 34.419 1.00 0.00 C ATOM 946 CG ARG A 63 70.593 20.689 35.515 1.00 0.00 C ATOM 947 CD ARG A 63 69.358 21.348 36.135 1.00 0.00 C ATOM 948 NE ARG A 63 69.686 22.589 36.860 1.00 0.00 N ATOM 949 CZ ARG A 63 68.842 23.462 37.371 1.00 0.00 C ATOM 950 NH1 ARG A 63 67.553 23.400 37.213 1.00 0.00 N ATOM 951 NH2 ARG A 63 69.319 24.437 38.076 1.00 0.00 N ATOM 0 H ARG A 63 73.898 20.449 34.579 1.00 0.00 H new ATOM 0 HA ARG A 63 71.572 20.142 32.836 1.00 0.00 H new ATOM 0 HB2 ARG A 63 71.774 22.367 34.890 1.00 0.00 H new ATOM 0 HB3 ARG A 63 70.424 22.009 33.833 1.00 0.00 H new ATOM 0 HG2 ARG A 63 70.315 19.721 35.097 1.00 0.00 H new ATOM 0 HG3 ARG A 63 71.331 20.499 36.294 1.00 0.00 H new ATOM 0 HD2 ARG A 63 68.635 21.570 35.350 1.00 0.00 H new ATOM 0 HD3 ARG A 63 68.880 20.647 36.819 1.00 0.00 H new ATOM 0 HE ARG A 63 70.678 22.795 36.979 1.00 0.00 H new ATOM 0 HH11 ARG A 63 67.142 22.643 36.667 1.00 0.00 H new ATOM 0 HH12 ARG A 63 66.953 24.108 37.635 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.325 24.515 38.224 1.00 0.00 H new ATOM 0 HH22 ARG A 63 68.689 25.128 38.484 1.00 0.00 H new ATOM 965 N PRO A 64 73.627 21.246 31.476 1.00 0.00 N ATOM 966 CA PRO A 64 74.643 22.005 30.728 1.00 0.00 C ATOM 967 C PRO A 64 74.095 22.977 29.659 1.00 0.00 C ATOM 968 O PRO A 64 74.675 23.141 28.586 1.00 0.00 O ATOM 969 CB PRO A 64 75.594 20.929 30.183 1.00 0.00 C ATOM 970 CG PRO A 64 74.649 19.761 29.912 1.00 0.00 C ATOM 971 CD PRO A 64 73.663 19.844 31.077 1.00 0.00 C ATOM 0 HA PRO A 64 75.157 22.713 31.378 1.00 0.00 H new ATOM 0 HB2 PRO A 64 76.103 21.258 29.277 1.00 0.00 H new ATOM 0 HB3 PRO A 64 76.367 20.667 30.905 1.00 0.00 H new ATOM 0 HG2 PRO A 64 74.147 19.862 28.950 1.00 0.00 H new ATOM 0 HG3 PRO A 64 75.178 18.808 29.897 1.00 0.00 H new ATOM 0 HD2 PRO A 64 72.674 19.499 30.776 1.00 0.00 H new ATOM 0 HD3 PRO A 64 73.983 19.211 31.905 1.00 0.00 H new ATOM 979 N GLU A 65 72.972 23.628 29.958 1.00 0.00 N ATOM 980 CA GLU A 65 72.266 24.645 29.181 1.00 0.00 C ATOM 981 C GLU A 65 72.060 25.961 29.959 1.00 0.00 C ATOM 982 O GLU A 65 71.340 26.851 29.521 1.00 0.00 O ATOM 983 CB GLU A 65 70.918 24.099 28.667 1.00 0.00 C ATOM 984 CG GLU A 65 70.954 22.650 28.222 1.00 0.00 C ATOM 985 CD GLU A 65 69.771 22.265 27.323 1.00 0.00 C ATOM 986 OE1 GLU A 65 69.733 22.699 26.146 1.00 0.00 O ATOM 987 OE2 GLU A 65 68.893 21.487 27.766 1.00 0.00 O ATOM 0 H GLU A 65 72.487 23.438 30.835 1.00 0.00 H new ATOM 0 HA GLU A 65 72.902 24.884 28.329 1.00 0.00 H new ATOM 0 HB2 GLU A 65 70.173 24.205 29.456 1.00 0.00 H new ATOM 0 HB3 GLU A 65 70.586 24.714 27.831 1.00 0.00 H new ATOM 0 HG2 GLU A 65 71.885 22.464 27.686 1.00 0.00 H new ATOM 0 HG3 GLU A 65 70.958 22.006 29.102 1.00 0.00 H new ATOM 994 N ALA A 66 72.663 26.063 31.145 1.00 0.00 N ATOM 995 CA ALA A 66 72.537 27.164 32.086 1.00 0.00 C ATOM 996 C ALA A 66 73.772 27.255 32.998 1.00 0.00 C ATOM 997 O ALA A 66 74.564 26.315 33.129 1.00 0.00 O ATOM 998 CB ALA A 66 71.266 26.944 32.922 1.00 0.00 C ATOM 0 H ALA A 66 73.288 25.334 31.489 1.00 0.00 H new ATOM 0 HA ALA A 66 72.467 28.104 31.539 1.00 0.00 H new ATOM 0 HB1 ALA A 66 71.154 27.761 33.635 1.00 0.00 H new ATOM 0 HB2 ALA A 66 70.398 26.915 32.264 1.00 0.00 H new ATOM 0 HB3 ALA A 66 71.344 26.000 33.461 1.00 0.00 H new ATOM 1004 N LEU A 67 73.893 28.400 33.661 1.00 0.00 N ATOM 1005 CA LEU A 67 74.816 28.642 34.773 1.00 0.00 C ATOM 1006 C LEU A 67 74.010 28.803 36.079 1.00 0.00 C ATOM 1007 O LEU A 67 72.901 29.343 36.060 1.00 0.00 O ATOM 1008 CB LEU A 67 75.686 29.900 34.526 1.00 0.00 C ATOM 1009 CG LEU A 67 76.539 30.054 33.244 1.00 0.00 C ATOM 1010 CD1 LEU A 67 77.497 28.891 33.008 1.00 0.00 C ATOM 1011 CD2 LEU A 67 75.749 30.278 31.951 1.00 0.00 C ATOM 0 H LEU A 67 73.330 29.219 33.432 1.00 0.00 H new ATOM 0 HA LEU A 67 75.488 27.788 34.855 1.00 0.00 H new ATOM 0 HB2 LEU A 67 75.018 30.760 34.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 76.368 29.985 35.372 1.00 0.00 H new ATOM 0 HG LEU A 67 77.097 30.965 33.461 1.00 0.00 H new ATOM 0 HD11 LEU A 67 78.063 29.065 32.093 1.00 0.00 H new ATOM 0 HD12 LEU A 67 78.185 28.810 33.850 1.00 0.00 H new ATOM 0 HD13 LEU A 67 76.929 27.965 32.913 1.00 0.00 H new ATOM 0 HD21 LEU A 67 76.441 30.373 31.114 1.00 0.00 H new ATOM 0 HD22 LEU A 67 75.085 29.431 31.779 1.00 0.00 H new ATOM 0 HD23 LEU A 67 75.158 31.190 32.039 1.00 0.00 H new ATOM 1023 N LYS A 68 74.575 28.425 37.230 1.00 0.00 N ATOM 1024 CA LYS A 68 74.211 28.990 38.536 1.00 0.00 C ATOM 1025 C LYS A 68 75.103 30.184 38.885 1.00 0.00 C ATOM 1026 O LYS A 68 76.118 30.446 38.260 1.00 0.00 O ATOM 1027 CB LYS A 68 74.234 27.911 39.619 1.00 0.00 C ATOM 1028 CG LYS A 68 75.542 27.136 39.615 1.00 0.00 C ATOM 1029 CD LYS A 68 75.423 26.081 40.687 1.00 0.00 C ATOM 1030 CE LYS A 68 76.572 25.083 40.600 1.00 0.00 C ATOM 1031 NZ LYS A 68 76.445 24.273 39.370 1.00 0.00 N ATOM 0 H LYS A 68 75.303 27.713 37.283 1.00 0.00 H new ATOM 0 HA LYS A 68 73.189 29.365 38.479 1.00 0.00 H new ATOM 0 HB2 LYS A 68 74.088 28.373 40.595 1.00 0.00 H new ATOM 0 HB3 LYS A 68 73.403 27.223 39.464 1.00 0.00 H new ATOM 0 HG2 LYS A 68 75.719 26.680 38.641 1.00 0.00 H new ATOM 0 HG3 LYS A 68 76.385 27.798 39.815 1.00 0.00 H new ATOM 0 HD2 LYS A 68 75.421 26.554 41.669 1.00 0.00 H new ATOM 0 HD3 LYS A 68 74.473 25.557 40.583 1.00 0.00 H new ATOM 0 HE2 LYS A 68 77.525 25.612 40.600 1.00 0.00 H new ATOM 0 HE3 LYS A 68 76.568 24.433 41.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 76.697 23.285 39.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 75.465 24.316 39.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 77.085 24.647 38.640 1.00 0.00 H new ATOM 1045 N VAL A 69 74.693 30.972 39.860 1.00 0.00 N ATOM 1046 CA VAL A 69 75.322 32.206 40.302 1.00 0.00 C ATOM 1047 C VAL A 69 75.238 32.346 41.806 1.00 0.00 C ATOM 1048 O VAL A 69 74.155 32.384 42.395 1.00 0.00 O ATOM 1049 CB VAL A 69 74.712 33.340 39.512 1.00 0.00 C ATOM 1050 CG1 VAL A 69 73.239 33.266 39.271 1.00 0.00 C ATOM 1051 CG2 VAL A 69 75.170 34.730 39.939 1.00 0.00 C ATOM 0 H VAL A 69 73.856 30.754 40.401 1.00 0.00 H new ATOM 0 HA VAL A 69 76.393 32.213 40.101 1.00 0.00 H new ATOM 0 HB VAL A 69 75.144 33.169 38.526 1.00 0.00 H new ATOM 0 HG11 VAL A 69 72.921 34.135 38.695 1.00 0.00 H new ATOM 0 HG12 VAL A 69 73.006 32.357 38.716 1.00 0.00 H new ATOM 0 HG13 VAL A 69 72.714 33.252 40.226 1.00 0.00 H new ATOM 0 HG21 VAL A 69 74.681 35.481 39.318 1.00 0.00 H new ATOM 0 HG22 VAL A 69 74.906 34.895 40.983 1.00 0.00 H new ATOM 0 HG23 VAL A 69 76.251 34.809 39.821 1.00 0.00 H new ATOM 1061 N SER A 70 76.415 32.367 42.414 1.00 0.00 N ATOM 1062 CA SER A 70 76.578 32.280 43.866 1.00 0.00 C ATOM 1063 C SER A 70 77.175 33.530 44.508 1.00 0.00 C ATOM 1064 O SER A 70 78.026 34.233 43.957 1.00 0.00 O ATOM 1065 CB SER A 70 77.347 31.020 44.297 1.00 0.00 C ATOM 1066 OG SER A 70 78.515 30.768 43.540 1.00 0.00 O ATOM 0 H SER A 70 77.298 32.446 41.910 1.00 0.00 H new ATOM 0 HA SER A 70 75.559 32.203 44.246 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.622 31.117 45.347 1.00 0.00 H new ATOM 0 HB3 SER A 70 76.684 30.158 44.219 1.00 0.00 H new ATOM 0 HG SER A 70 78.950 29.955 43.871 1.00 0.00 H new ATOM 1072 N CYS A 71 76.766 33.762 45.754 1.00 0.00 N ATOM 1073 CA CYS A 71 77.415 34.743 46.600 1.00 0.00 C ATOM 1074 C CYS A 71 78.717 34.119 47.117 1.00 0.00 C ATOM 1075 O CYS A 71 78.766 33.534 48.193 1.00 0.00 O ATOM 1076 CB CYS A 71 76.450 35.197 47.698 1.00 0.00 C ATOM 1077 SG CYS A 71 77.323 36.461 48.654 1.00 0.00 S ATOM 0 H CYS A 71 75.984 33.278 46.195 1.00 0.00 H new ATOM 0 HA CYS A 71 77.679 35.651 46.058 1.00 0.00 H new ATOM 0 HB2 CYS A 71 75.533 35.600 47.267 1.00 0.00 H new ATOM 0 HB3 CYS A 71 76.162 34.359 48.333 1.00 0.00 H new ATOM 0 HG CYS A 71 76.940 36.408 49.895 1.00 0.00 H new ATOM 1082 N GLY A 72 79.751 34.113 46.283 1.00 0.00 N ATOM 1083 CA GLY A 72 80.984 33.386 46.586 1.00 0.00 C ATOM 1084 C GLY A 72 81.776 33.942 47.777 1.00 0.00 C ATOM 1085 O GLY A 72 82.627 33.228 48.303 1.00 0.00 O ATOM 0 H GLY A 72 79.762 34.604 45.389 1.00 0.00 H new ATOM 0 HA2 GLY A 72 80.736 32.344 46.786 1.00 0.00 H new ATOM 0 HA3 GLY A 72 81.624 33.398 45.704 1.00 0.00 H new ATOM 1089 N LYS A 73 81.477 35.156 48.249 1.00 0.00 N ATOM 1090 CA LYS A 73 82.029 35.747 49.481 1.00 0.00 C ATOM 1091 C LYS A 73 81.744 34.908 50.729 1.00 0.00 C ATOM 1092 O LYS A 73 82.668 34.547 51.459 1.00 0.00 O ATOM 1093 CB LYS A 73 81.466 37.164 49.637 1.00 0.00 C ATOM 1094 CG LYS A 73 82.515 38.253 49.355 1.00 0.00 C ATOM 1095 CD LYS A 73 83.445 38.459 50.557 1.00 0.00 C ATOM 1096 CE LYS A 73 84.641 39.347 50.195 1.00 0.00 C ATOM 1097 NZ LYS A 73 85.286 39.871 51.420 1.00 0.00 N ATOM 0 H LYS A 73 80.824 35.778 47.772 1.00 0.00 H new ATOM 0 HA LYS A 73 83.114 35.776 49.386 1.00 0.00 H new ATOM 0 HB2 LYS A 73 80.623 37.293 48.958 1.00 0.00 H new ATOM 0 HB3 LYS A 73 81.082 37.289 50.649 1.00 0.00 H new ATOM 0 HG2 LYS A 73 83.104 37.975 48.481 1.00 0.00 H new ATOM 0 HG3 LYS A 73 82.013 39.191 49.116 1.00 0.00 H new ATOM 0 HD2 LYS A 73 82.888 38.913 51.376 1.00 0.00 H new ATOM 0 HD3 LYS A 73 83.802 37.492 50.912 1.00 0.00 H new ATOM 0 HE2 LYS A 73 85.363 38.775 49.613 1.00 0.00 H new ATOM 0 HE3 LYS A 73 84.310 40.175 49.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 86.094 40.471 51.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 84.599 40.434 51.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 85.619 39.077 52.004 1.00 0.00 H new ATOM 1111 N CYS A 74 80.474 34.579 50.932 1.00 0.00 N ATOM 1112 CA CYS A 74 79.948 33.788 52.023 1.00 0.00 C ATOM 1113 C CYS A 74 79.690 32.320 51.593 1.00 0.00 C ATOM 1114 O CYS A 74 79.569 31.419 52.429 1.00 0.00 O ATOM 1115 CB CYS A 74 78.733 34.581 52.508 1.00 0.00 C ATOM 1116 SG CYS A 74 77.496 34.850 51.204 1.00 0.00 S ATOM 0 H CYS A 74 79.740 34.881 50.292 1.00 0.00 H new ATOM 0 HA CYS A 74 80.641 33.650 52.853 1.00 0.00 H new ATOM 0 HB2 CYS A 74 78.268 34.051 53.339 1.00 0.00 H new ATOM 0 HB3 CYS A 74 79.065 35.546 52.891 1.00 0.00 H new ATOM 0 HG CYS A 74 78.056 35.439 50.189 1.00 0.00 H new ATOM 1121 N GLY A 75 79.692 32.072 50.288 1.00 0.00 N ATOM 1122 CA GLY A 75 79.504 30.768 49.663 1.00 0.00 C ATOM 1123 C GLY A 75 78.031 30.361 49.537 1.00 0.00 C ATOM 1124 O GLY A 75 77.670 29.231 49.883 1.00 0.00 O ATOM 0 H GLY A 75 79.832 32.814 49.602 1.00 0.00 H new ATOM 0 HA2 GLY A 75 79.956 30.780 48.671 1.00 0.00 H new ATOM 0 HA3 GLY A 75 80.033 30.014 50.246 1.00 0.00 H new ATOM 1128 N ASN A 76 77.155 31.286 49.131 1.00 0.00 N ATOM 1129 CA ASN A 76 75.737 31.014 48.918 1.00 0.00 C ATOM 1130 C ASN A 76 75.502 30.488 47.492 1.00 0.00 C ATOM 1131 O ASN A 76 76.288 29.707 46.962 1.00 0.00 O ATOM 1132 CB ASN A 76 74.900 32.192 49.443 1.00 0.00 C ATOM 1133 CG ASN A 76 73.738 31.731 50.326 1.00 0.00 C ATOM 1134 OD1 ASN A 76 72.495 31.714 49.895 1.00 0.00 O flip ATOM 1135 ND2 ASN A 76 73.958 31.308 51.446 1.00 0.00 N flip ATOM 0 H ASN A 76 77.417 32.253 48.940 1.00 0.00 H new ATOM 0 HA ASN A 76 75.364 30.183 49.517 1.00 0.00 H new ATOM 0 HB2 ASN A 76 75.541 32.865 50.012 1.00 0.00 H new ATOM 0 HB3 ASN A 76 74.509 32.761 48.600 1.00 0.00 H new ATOM 0 HD21 ASN A 76 74.910 31.306 51.813 1.00 0.00 H new ATOM 0 HD22 ASN A 76 73.191 30.955 52.018 1.00 0.00 H new ATOM 1142 N GLY A 77 74.415 30.898 46.862 1.00 0.00 N ATOM 1143 CA GLY A 77 73.952 30.421 45.571 1.00 0.00 C ATOM 1144 C GLY A 77 72.651 31.090 45.206 1.00 0.00 C ATOM 1145 O GLY A 77 71.582 30.490 45.270 1.00 0.00 O ATOM 0 H GLY A 77 73.800 31.609 47.258 1.00 0.00 H new ATOM 0 HA2 GLY A 77 74.702 30.628 44.808 1.00 0.00 H new ATOM 0 HA3 GLY A 77 73.818 29.340 45.601 1.00 0.00 H new ATOM 1149 N LEU A 78 72.758 32.399 44.987 1.00 0.00 N ATOM 1150 CA LEU A 78 71.656 33.341 44.797 1.00 0.00 C ATOM 1151 C LEU A 78 70.676 32.812 43.759 1.00 0.00 C ATOM 1152 O LEU A 78 69.467 32.824 43.989 1.00 0.00 O ATOM 1153 CB LEU A 78 72.223 34.704 44.349 1.00 0.00 C ATOM 1154 CG LEU A 78 73.240 35.323 45.323 1.00 0.00 C ATOM 1155 CD1 LEU A 78 73.842 36.588 44.716 1.00 0.00 C ATOM 1156 CD2 LEU A 78 72.602 35.678 46.666 1.00 0.00 C ATOM 0 H LEU A 78 73.668 32.857 44.934 1.00 0.00 H new ATOM 0 HA LEU A 78 71.122 33.462 45.739 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.698 34.583 43.376 1.00 0.00 H new ATOM 0 HB3 LEU A 78 71.396 35.401 44.216 1.00 0.00 H new ATOM 0 HG LEU A 78 74.016 34.577 45.496 1.00 0.00 H new ATOM 0 HD11 LEU A 78 74.561 37.019 45.413 1.00 0.00 H new ATOM 0 HD12 LEU A 78 74.346 36.339 43.782 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.049 37.310 44.519 1.00 0.00 H new ATOM 0 HD21 LEU A 78 73.355 36.112 47.323 1.00 0.00 H new ATOM 0 HD22 LEU A 78 71.799 36.398 46.508 1.00 0.00 H new ATOM 0 HD23 LEU A 78 72.196 34.777 47.125 1.00 0.00 H new ATOM 1168 N GLY A 79 71.196 32.315 42.635 1.00 0.00 N ATOM 1169 CA GLY A 79 70.302 31.900 41.557 1.00 0.00 C ATOM 1170 C GLY A 79 70.951 31.218 40.368 1.00 0.00 C ATOM 1171 O GLY A 79 71.971 30.542 40.475 1.00 0.00 O ATOM 0 H GLY A 79 72.192 32.194 42.452 1.00 0.00 H new ATOM 0 HA2 GLY A 79 69.556 31.224 41.973 1.00 0.00 H new ATOM 0 HA3 GLY A 79 69.769 32.780 41.197 1.00 0.00 H new ATOM 1175 N HIS A 80 70.349 31.458 39.213 1.00 0.00 N ATOM 1176 CA HIS A 80 70.737 30.976 37.908 1.00 0.00 C ATOM 1177 C HIS A 80 70.986 32.153 36.965 1.00 0.00 C ATOM 1178 O HIS A 80 70.350 33.195 37.102 1.00 0.00 O ATOM 1179 CB HIS A 80 69.612 30.111 37.371 1.00 0.00 C ATOM 1180 CG HIS A 80 69.129 29.016 38.290 1.00 0.00 C ATOM 1181 ND1 HIS A 80 68.046 29.103 39.133 1.00 0.00 N ATOM 1182 CD2 HIS A 80 69.653 27.758 38.430 1.00 0.00 C ATOM 1183 CE1 HIS A 80 67.898 27.919 39.748 1.00 0.00 C ATOM 1184 NE2 HIS A 80 68.860 27.062 39.357 1.00 0.00 N ATOM 0 H HIS A 80 69.513 32.040 39.167 1.00 0.00 H new ATOM 0 HA HIS A 80 71.657 30.396 37.981 1.00 0.00 H new ATOM 0 HB2 HIS A 80 68.767 30.756 37.130 1.00 0.00 H new ATOM 0 HB3 HIS A 80 69.943 29.656 36.437 1.00 0.00 H new ATOM 0 HD1 HIS A 80 67.457 29.925 39.268 1.00 0.00 H new ATOM 0 HD2 HIS A 80 70.522 27.370 37.918 1.00 0.00 H new ATOM 0 HE1 HIS A 80 67.117 27.687 40.457 1.00 0.00 H new ATOM 1192 N GLU A 81 71.836 31.965 35.965 1.00 0.00 N ATOM 1193 CA GLU A 81 72.025 32.824 34.810 1.00 0.00 C ATOM 1194 C GLU A 81 71.974 31.929 33.568 1.00 0.00 C ATOM 1195 O GLU A 81 72.783 31.024 33.384 1.00 0.00 O ATOM 1196 CB GLU A 81 73.365 33.555 34.933 1.00 0.00 C ATOM 1197 CG GLU A 81 73.561 34.591 33.812 1.00 0.00 C ATOM 1198 CD GLU A 81 74.919 35.312 33.871 1.00 0.00 C ATOM 1199 OE1 GLU A 81 75.127 36.154 34.772 1.00 0.00 O ATOM 1200 OE2 GLU A 81 75.759 35.127 32.954 1.00 0.00 O ATOM 0 H GLU A 81 72.452 31.153 35.940 1.00 0.00 H new ATOM 0 HA GLU A 81 71.249 33.586 34.739 1.00 0.00 H new ATOM 0 HB2 GLU A 81 73.419 34.053 35.901 1.00 0.00 H new ATOM 0 HB3 GLU A 81 74.178 32.830 34.903 1.00 0.00 H new ATOM 0 HG2 GLU A 81 73.465 34.093 32.847 1.00 0.00 H new ATOM 0 HG3 GLU A 81 72.763 35.331 33.869 1.00 0.00 H new ATOM 1207 N PHE A 82 70.977 32.132 32.724 1.00 0.00 N ATOM 1208 CA PHE A 82 70.765 31.337 31.520 1.00 0.00 C ATOM 1209 C PHE A 82 71.506 31.972 30.332 1.00 0.00 C ATOM 1210 O PHE A 82 71.101 33.018 29.816 1.00 0.00 O ATOM 1211 CB PHE A 82 69.250 31.227 31.297 1.00 0.00 C ATOM 1212 CG PHE A 82 68.834 30.408 30.094 1.00 0.00 C ATOM 1213 CD1 PHE A 82 68.887 29.003 30.151 1.00 0.00 C ATOM 1214 CD2 PHE A 82 68.366 31.043 28.927 1.00 0.00 C ATOM 1215 CE1 PHE A 82 68.467 28.235 29.053 1.00 0.00 C ATOM 1216 CE2 PHE A 82 67.930 30.271 27.835 1.00 0.00 C ATOM 1217 CZ PHE A 82 67.980 28.869 27.898 1.00 0.00 C ATOM 0 H PHE A 82 70.279 32.865 32.855 1.00 0.00 H new ATOM 0 HA PHE A 82 71.173 30.332 31.625 1.00 0.00 H new ATOM 0 HB2 PHE A 82 68.798 30.790 32.188 1.00 0.00 H new ATOM 0 HB3 PHE A 82 68.840 32.232 31.192 1.00 0.00 H new ATOM 0 HD1 PHE A 82 69.252 28.514 31.042 1.00 0.00 H new ATOM 0 HD2 PHE A 82 68.342 32.121 28.871 1.00 0.00 H new ATOM 0 HE1 PHE A 82 68.518 27.157 29.097 1.00 0.00 H new ATOM 0 HE2 PHE A 82 67.556 30.757 26.946 1.00 0.00 H new ATOM 0 HZ PHE A 82 67.644 28.278 27.059 1.00 0.00 H new ATOM 1227 N LEU A 83 72.607 31.343 29.909 1.00 0.00 N ATOM 1228 CA LEU A 83 73.489 31.801 28.833 1.00 0.00 C ATOM 1229 C LEU A 83 73.996 30.615 27.993 1.00 0.00 C ATOM 1230 O LEU A 83 73.743 29.458 28.314 1.00 0.00 O ATOM 1231 CB LEU A 83 74.654 32.618 29.433 1.00 0.00 C ATOM 1232 CG LEU A 83 75.027 33.845 28.581 1.00 0.00 C ATOM 1233 CD1 LEU A 83 73.996 34.964 28.724 1.00 0.00 C ATOM 1234 CD2 LEU A 83 76.396 34.373 29.000 1.00 0.00 C ATOM 0 H LEU A 83 72.920 30.465 30.324 1.00 0.00 H new ATOM 0 HA LEU A 83 72.927 32.448 28.159 1.00 0.00 H new ATOM 0 HB2 LEU A 83 74.381 32.948 30.436 1.00 0.00 H new ATOM 0 HB3 LEU A 83 75.528 31.974 29.536 1.00 0.00 H new ATOM 0 HG LEU A 83 75.049 33.527 27.539 1.00 0.00 H new ATOM 0 HD11 LEU A 83 74.293 35.813 28.108 1.00 0.00 H new ATOM 0 HD12 LEU A 83 73.020 34.603 28.399 1.00 0.00 H new ATOM 0 HD13 LEU A 83 73.939 35.275 29.767 1.00 0.00 H new ATOM 0 HD21 LEU A 83 76.653 35.241 28.393 1.00 0.00 H new ATOM 0 HD22 LEU A 83 76.369 34.661 30.051 1.00 0.00 H new ATOM 0 HD23 LEU A 83 77.146 33.595 28.856 1.00 0.00 H new ATOM 1246 N ASN A 84 74.727 30.899 26.910 1.00 0.00 N ATOM 1247 CA ASN A 84 75.002 30.004 25.777 1.00 0.00 C ATOM 1248 C ASN A 84 73.775 29.673 24.900 1.00 0.00 C ATOM 1249 O ASN A 84 73.884 28.896 23.955 1.00 0.00 O ATOM 1250 CB ASN A 84 75.805 28.761 26.175 1.00 0.00 C ATOM 1251 CG ASN A 84 76.961 28.961 27.096 1.00 0.00 C ATOM 1252 OD1 ASN A 84 78.120 29.038 26.712 1.00 0.00 O ATOM 1253 ND2 ASN A 84 76.652 28.895 28.360 1.00 0.00 N ATOM 0 H ASN A 84 75.168 31.811 26.792 1.00 0.00 H new ATOM 0 HA ASN A 84 75.648 30.592 25.124 1.00 0.00 H new ATOM 0 HB2 ASN A 84 75.121 28.052 26.641 1.00 0.00 H new ATOM 0 HB3 ASN A 84 76.177 28.293 25.263 1.00 0.00 H new ATOM 0 HD21 ASN A 84 77.388 28.907 29.066 1.00 0.00 H new ATOM 0 HD22 ASN A 84 75.674 28.832 28.643 1.00 0.00 H new ATOM 1260 N ASP A 85 72.620 30.290 25.168 1.00 0.00 N ATOM 1261 CA ASP A 85 71.384 30.121 24.393 1.00 0.00 C ATOM 1262 C ASP A 85 70.934 31.369 23.619 1.00 0.00 C ATOM 1263 O ASP A 85 70.110 31.284 22.713 1.00 0.00 O ATOM 1264 CB ASP A 85 70.275 29.610 25.310 1.00 0.00 C ATOM 1265 CG ASP A 85 69.259 28.783 24.515 1.00 0.00 C ATOM 1266 OD1 ASP A 85 69.707 27.822 23.842 1.00 0.00 O ATOM 1267 OD2 ASP A 85 68.055 29.113 24.541 1.00 0.00 O ATOM 0 H ASP A 85 72.515 30.937 25.949 1.00 0.00 H new ATOM 0 HA ASP A 85 71.604 29.386 23.619 1.00 0.00 H new ATOM 0 HB2 ASP A 85 70.705 29.002 26.106 1.00 0.00 H new ATOM 0 HB3 ASP A 85 69.773 30.452 25.788 1.00 0.00 H new ATOM 1272 N GLY A 86 71.529 32.521 23.918 1.00 0.00 N ATOM 1273 CA GLY A 86 71.485 33.741 23.122 1.00 0.00 C ATOM 1274 C GLY A 86 72.767 33.967 22.307 1.00 0.00 C ATOM 1275 O GLY A 86 73.605 34.750 22.747 1.00 0.00 O ATOM 0 H GLY A 86 72.083 32.633 24.767 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.632 33.697 22.444 1.00 0.00 H new ATOM 0 HA3 GLY A 86 71.324 34.594 23.781 1.00 0.00 H new ATOM 1279 N PRO A 87 72.964 33.306 21.144 1.00 0.00 N ATOM 1280 CA PRO A 87 74.130 33.536 20.287 1.00 0.00 C ATOM 1281 C PRO A 87 73.977 34.778 19.396 1.00 0.00 C ATOM 1282 O PRO A 87 74.947 35.488 19.149 1.00 0.00 O ATOM 1283 CB PRO A 87 74.277 32.245 19.475 1.00 0.00 C ATOM 1284 CG PRO A 87 72.840 31.746 19.333 1.00 0.00 C ATOM 1285 CD PRO A 87 72.195 32.172 20.650 1.00 0.00 C ATOM 0 HA PRO A 87 75.023 33.750 20.874 1.00 0.00 H new ATOM 0 HB2 PRO A 87 74.735 32.432 18.504 1.00 0.00 H new ATOM 0 HB3 PRO A 87 74.905 31.517 19.989 1.00 0.00 H new ATOM 0 HG2 PRO A 87 72.340 32.195 18.475 1.00 0.00 H new ATOM 0 HG3 PRO A 87 72.800 30.665 19.195 1.00 0.00 H new ATOM 0 HD2 PRO A 87 71.152 32.448 20.499 1.00 0.00 H new ATOM 0 HD3 PRO A 87 72.207 31.353 21.370 1.00 0.00 H new ATOM 1293 N LYS A 88 72.755 35.037 18.924 1.00 0.00 N ATOM 1294 CA LYS A 88 72.355 36.145 18.063 1.00 0.00 C ATOM 1295 C LYS A 88 71.324 37.096 18.685 1.00 0.00 C ATOM 1296 O LYS A 88 71.232 38.256 18.292 1.00 0.00 O ATOM 1297 CB LYS A 88 71.868 35.555 16.729 1.00 0.00 C ATOM 1298 CG LYS A 88 70.560 34.760 16.817 1.00 0.00 C ATOM 1299 CD LYS A 88 70.115 34.163 15.477 1.00 0.00 C ATOM 1300 CE LYS A 88 69.818 35.238 14.421 1.00 0.00 C ATOM 1301 NZ LYS A 88 69.072 34.670 13.277 1.00 0.00 N ATOM 0 H LYS A 88 71.965 34.433 19.152 1.00 0.00 H new ATOM 0 HA LYS A 88 73.225 36.782 17.907 1.00 0.00 H new ATOM 0 HB2 LYS A 88 71.735 36.368 16.015 1.00 0.00 H new ATOM 0 HB3 LYS A 88 72.646 34.904 16.330 1.00 0.00 H new ATOM 0 HG2 LYS A 88 70.682 33.955 17.542 1.00 0.00 H new ATOM 0 HG3 LYS A 88 69.772 35.412 17.194 1.00 0.00 H new ATOM 0 HD2 LYS A 88 70.893 33.497 15.104 1.00 0.00 H new ATOM 0 HD3 LYS A 88 69.223 33.555 15.632 1.00 0.00 H new ATOM 0 HE2 LYS A 88 69.240 36.045 14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 88 70.753 35.674 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 68.885 35.418 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 69.636 33.917 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 68.170 34.276 13.612 1.00 0.00 H new ATOM 1315 N ARG A 89 70.507 36.589 19.616 1.00 0.00 N ATOM 1316 CA ARG A 89 69.399 37.281 20.253 1.00 0.00 C ATOM 1317 C ARG A 89 69.789 38.159 21.430 1.00 0.00 C ATOM 1318 O ARG A 89 70.762 37.927 22.138 1.00 0.00 O ATOM 1319 CB ARG A 89 68.292 36.295 20.650 1.00 0.00 C ATOM 1320 CG ARG A 89 67.169 36.274 19.622 1.00 0.00 C ATOM 1321 CD ARG A 89 65.874 36.952 20.067 1.00 0.00 C ATOM 1322 NE ARG A 89 64.948 36.039 20.760 1.00 0.00 N ATOM 1323 CZ ARG A 89 63.675 36.292 21.022 1.00 0.00 C ATOM 1324 NH1 ARG A 89 63.093 37.396 20.662 1.00 0.00 N ATOM 1325 NH2 ARG A 89 62.937 35.439 21.670 1.00 0.00 N ATOM 0 H ARG A 89 70.613 35.634 19.958 1.00 0.00 H new ATOM 0 HA ARG A 89 69.020 37.968 19.496 1.00 0.00 H new ATOM 0 HB2 ARG A 89 68.713 35.295 20.751 1.00 0.00 H new ATOM 0 HB3 ARG A 89 67.890 36.571 21.625 1.00 0.00 H new ATOM 0 HG2 ARG A 89 67.521 36.759 18.711 1.00 0.00 H new ATOM 0 HG3 ARG A 89 66.950 35.237 19.367 1.00 0.00 H new ATOM 0 HD2 ARG A 89 66.116 37.784 20.728 1.00 0.00 H new ATOM 0 HD3 ARG A 89 65.374 37.373 19.195 1.00 0.00 H new ATOM 0 HE ARG A 89 65.318 35.138 21.063 1.00 0.00 H new ATOM 0 HH11 ARG A 89 63.619 38.109 20.157 1.00 0.00 H new ATOM 0 HH12 ARG A 89 62.110 37.550 20.884 1.00 0.00 H new ATOM 0 HH21 ARG A 89 63.337 34.556 21.987 1.00 0.00 H new ATOM 0 HH22 ARG A 89 61.958 35.653 21.862 1.00 0.00 H new ATOM 1339 N GLY A 90 68.871 39.074 21.689 1.00 0.00 N ATOM 1340 CA GLY A 90 68.908 40.036 22.789 1.00 0.00 C ATOM 1341 C GLY A 90 68.587 39.445 24.163 1.00 0.00 C ATOM 1342 O GLY A 90 68.665 40.121 25.188 1.00 0.00 O ATOM 0 H GLY A 90 68.036 39.175 21.112 1.00 0.00 H new ATOM 0 HA2 GLY A 90 69.899 40.489 22.825 1.00 0.00 H new ATOM 0 HA3 GLY A 90 68.199 40.837 22.578 1.00 0.00 H new ATOM 1346 N GLN A 91 68.192 38.172 24.176 1.00 0.00 N ATOM 1347 CA GLN A 91 67.855 37.404 25.351 1.00 0.00 C ATOM 1348 C GLN A 91 69.076 37.160 26.242 1.00 0.00 C ATOM 1349 O GLN A 91 70.150 36.775 25.785 1.00 0.00 O ATOM 1350 CB GLN A 91 67.287 36.046 24.952 1.00 0.00 C ATOM 1351 CG GLN A 91 66.040 36.094 24.070 1.00 0.00 C ATOM 1352 CD GLN A 91 65.675 34.729 23.493 1.00 0.00 C ATOM 1353 OE1 GLN A 91 64.562 34.245 23.636 1.00 0.00 O ATOM 1354 NE2 GLN A 91 66.545 34.102 22.734 1.00 0.00 N ATOM 0 H GLN A 91 68.097 37.630 23.317 1.00 0.00 H new ATOM 0 HA GLN A 91 67.117 37.984 25.904 1.00 0.00 H new ATOM 0 HB2 GLN A 91 68.062 35.486 24.428 1.00 0.00 H new ATOM 0 HB3 GLN A 91 67.050 35.489 25.858 1.00 0.00 H new ATOM 0 HG2 GLN A 91 65.201 36.473 24.654 1.00 0.00 H new ATOM 0 HG3 GLN A 91 66.204 36.797 23.253 1.00 0.00 H new ATOM 0 HE21 GLN A 91 67.479 34.490 22.602 1.00 0.00 H new ATOM 0 HE22 GLN A 91 66.286 33.228 22.277 1.00 0.00 H new ATOM 1363 N SER A 92 68.828 37.308 27.528 1.00 0.00 N ATOM 1364 CA SER A 92 69.699 37.120 28.671 1.00 0.00 C ATOM 1365 C SER A 92 68.764 37.205 29.875 1.00 0.00 C ATOM 1366 O SER A 92 67.907 38.092 29.940 1.00 0.00 O ATOM 1367 CB SER A 92 70.784 38.203 28.733 1.00 0.00 C ATOM 1368 OG SER A 92 70.293 39.504 28.473 1.00 0.00 O ATOM 0 H SER A 92 67.899 37.598 27.832 1.00 0.00 H new ATOM 0 HA SER A 92 70.237 36.173 28.628 1.00 0.00 H new ATOM 0 HB2 SER A 92 71.247 38.188 29.720 1.00 0.00 H new ATOM 0 HB3 SER A 92 71.565 37.966 28.011 1.00 0.00 H new ATOM 0 HG SER A 92 71.029 40.149 28.529 1.00 0.00 H new ATOM 1374 N ARG A 93 68.813 36.209 30.760 1.00 0.00 N ATOM 1375 CA ARG A 93 68.023 36.203 31.999 1.00 0.00 C ATOM 1376 C ARG A 93 68.693 35.463 33.147 1.00 0.00 C ATOM 1377 O ARG A 93 69.321 34.423 32.964 1.00 0.00 O ATOM 1378 CB ARG A 93 66.606 35.635 31.779 1.00 0.00 C ATOM 1379 CG ARG A 93 65.569 36.735 31.498 1.00 0.00 C ATOM 1380 CD ARG A 93 64.158 36.229 31.805 1.00 0.00 C ATOM 1381 NE ARG A 93 63.165 37.316 31.786 1.00 0.00 N ATOM 1382 CZ ARG A 93 62.583 37.814 30.713 1.00 0.00 C ATOM 1383 NH1 ARG A 93 62.870 37.427 29.508 1.00 0.00 N ATOM 1384 NH2 ARG A 93 61.663 38.726 30.797 1.00 0.00 N ATOM 0 H ARG A 93 69.400 35.383 30.642 1.00 0.00 H new ATOM 0 HA ARG A 93 67.950 37.252 32.284 1.00 0.00 H new ATOM 0 HB2 ARG A 93 66.624 34.935 30.944 1.00 0.00 H new ATOM 0 HB3 ARG A 93 66.303 35.071 32.661 1.00 0.00 H new ATOM 0 HG2 ARG A 93 65.787 37.613 32.106 1.00 0.00 H new ATOM 0 HG3 ARG A 93 65.632 37.045 30.455 1.00 0.00 H new ATOM 0 HD2 ARG A 93 63.878 35.470 31.074 1.00 0.00 H new ATOM 0 HD3 ARG A 93 64.150 35.748 32.783 1.00 0.00 H new ATOM 0 HE ARG A 93 62.904 37.721 32.685 1.00 0.00 H new ATOM 0 HH11 ARG A 93 63.575 36.705 29.358 1.00 0.00 H new ATOM 0 HH12 ARG A 93 62.390 37.844 28.710 1.00 0.00 H new ATOM 0 HH21 ARG A 93 61.373 39.075 31.710 1.00 0.00 H new ATOM 0 HH22 ARG A 93 61.230 39.093 29.950 1.00 0.00 H new ATOM 1398 N PHE A 94 68.443 35.967 34.347 1.00 0.00 N ATOM 1399 CA PHE A 94 68.858 35.422 35.622 1.00 0.00 C ATOM 1400 C PHE A 94 67.646 35.160 36.536 1.00 0.00 C ATOM 1401 O PHE A 94 66.743 35.987 36.663 1.00 0.00 O ATOM 1402 CB PHE A 94 69.964 36.334 36.174 1.00 0.00 C ATOM 1403 CG PHE A 94 69.793 36.977 37.533 1.00 0.00 C ATOM 1404 CD1 PHE A 94 70.270 36.333 38.690 1.00 0.00 C ATOM 1405 CD2 PHE A 94 69.287 38.285 37.621 1.00 0.00 C ATOM 1406 CE1 PHE A 94 70.260 37.006 39.925 1.00 0.00 C ATOM 1407 CE2 PHE A 94 69.267 38.957 38.854 1.00 0.00 C ATOM 1408 CZ PHE A 94 69.767 38.323 40.005 1.00 0.00 C ATOM 0 H PHE A 94 67.907 36.828 34.458 1.00 0.00 H new ATOM 0 HA PHE A 94 69.297 34.428 35.533 1.00 0.00 H new ATOM 0 HB2 PHE A 94 70.884 35.750 36.203 1.00 0.00 H new ATOM 0 HB3 PHE A 94 70.117 37.135 35.451 1.00 0.00 H new ATOM 0 HD1 PHE A 94 70.644 35.322 38.629 1.00 0.00 H new ATOM 0 HD2 PHE A 94 68.911 38.776 36.736 1.00 0.00 H new ATOM 0 HE1 PHE A 94 70.630 36.513 40.812 1.00 0.00 H new ATOM 0 HE2 PHE A 94 68.868 39.959 38.918 1.00 0.00 H new ATOM 0 HZ PHE A 94 69.773 38.846 40.950 1.00 0.00 H new ATOM 1418 N CYS A 95 67.587 33.952 37.104 1.00 0.00 N ATOM 1419 CA CYS A 95 66.411 33.382 37.775 1.00 0.00 C ATOM 1420 C CYS A 95 66.747 32.926 39.207 1.00 0.00 C ATOM 1421 O CYS A 95 67.668 32.129 39.387 1.00 0.00 O ATOM 1422 CB CYS A 95 65.883 32.224 36.912 1.00 0.00 C ATOM 1423 SG CYS A 95 64.389 31.507 37.654 1.00 0.00 S ATOM 0 H CYS A 95 68.387 33.319 37.110 1.00 0.00 H new ATOM 0 HA CYS A 95 65.635 34.141 37.876 1.00 0.00 H new ATOM 0 HB2 CYS A 95 65.660 32.584 35.907 1.00 0.00 H new ATOM 0 HB3 CYS A 95 66.651 31.457 36.813 1.00 0.00 H new ATOM 0 HG CYS A 95 63.959 30.533 36.908 1.00 0.00 H new ATOM 1429 N ILE A 96 66.046 33.428 40.230 1.00 0.00 N ATOM 1430 CA ILE A 96 66.615 33.556 41.587 1.00 0.00 C ATOM 1431 C ILE A 96 65.821 32.868 42.709 1.00 0.00 C ATOM 1432 O ILE A 96 64.589 32.777 42.682 1.00 0.00 O ATOM 1433 CB ILE A 96 66.865 35.053 41.871 1.00 0.00 C ATOM 1434 CG1 ILE A 96 67.922 35.274 42.962 1.00 0.00 C ATOM 1435 CG2 ILE A 96 65.564 35.835 42.134 1.00 0.00 C ATOM 1436 CD1 ILE A 96 68.360 36.728 43.109 1.00 0.00 C ATOM 0 H ILE A 96 65.083 33.754 40.149 1.00 0.00 H new ATOM 0 HA ILE A 96 67.554 33.003 41.593 1.00 0.00 H new ATOM 0 HB ILE A 96 67.282 35.471 40.955 1.00 0.00 H new ATOM 0 HG12 ILE A 96 67.525 34.926 43.915 1.00 0.00 H new ATOM 0 HG13 ILE A 96 68.796 34.662 42.738 1.00 0.00 H new ATOM 0 HG21 ILE A 96 65.801 36.881 42.328 1.00 0.00 H new ATOM 0 HG22 ILE A 96 64.915 35.765 41.261 1.00 0.00 H new ATOM 0 HG23 ILE A 96 65.054 35.412 43.000 1.00 0.00 H new ATOM 0 HD11 ILE A 96 69.108 36.805 43.899 1.00 0.00 H new ATOM 0 HD12 ILE A 96 68.788 37.076 42.169 1.00 0.00 H new ATOM 0 HD13 ILE A 96 67.498 37.344 43.365 1.00 0.00 H new ATOM 1448 N PHE A 97 66.552 32.417 43.730 1.00 0.00 N ATOM 1449 CA PHE A 97 66.036 31.715 44.903 1.00 0.00 C ATOM 1450 C PHE A 97 65.679 32.670 46.048 1.00 0.00 C ATOM 1451 O PHE A 97 66.560 33.252 46.683 1.00 0.00 O ATOM 1452 CB PHE A 97 67.074 30.706 45.393 1.00 0.00 C ATOM 1453 CG PHE A 97 67.264 29.475 44.538 1.00 0.00 C ATOM 1454 CD1 PHE A 97 66.284 28.465 44.537 1.00 0.00 C ATOM 1455 CD2 PHE A 97 68.448 29.305 43.798 1.00 0.00 C ATOM 1456 CE1 PHE A 97 66.486 27.292 43.791 1.00 0.00 C ATOM 1457 CE2 PHE A 97 68.641 28.140 43.038 1.00 0.00 C ATOM 1458 CZ PHE A 97 67.661 27.131 43.038 1.00 0.00 C ATOM 0 H PHE A 97 67.564 32.537 43.762 1.00 0.00 H new ATOM 0 HA PHE A 97 65.120 31.207 44.600 1.00 0.00 H new ATOM 0 HB2 PHE A 97 68.034 31.216 45.478 1.00 0.00 H new ATOM 0 HB3 PHE A 97 66.794 30.386 46.397 1.00 0.00 H new ATOM 0 HD1 PHE A 97 65.377 28.592 45.110 1.00 0.00 H new ATOM 0 HD2 PHE A 97 69.209 30.071 43.814 1.00 0.00 H new ATOM 0 HE1 PHE A 97 65.738 26.513 43.796 1.00 0.00 H new ATOM 0 HE2 PHE A 97 69.541 28.019 42.454 1.00 0.00 H new ATOM 0 HZ PHE A 97 67.812 26.232 42.459 1.00 0.00 H new ATOM 1468 N SER A 98 64.395 32.724 46.400 1.00 0.00 N ATOM 1469 CA SER A 98 63.872 33.412 47.592 1.00 0.00 C ATOM 1470 C SER A 98 64.462 32.933 48.925 1.00 0.00 C ATOM 1471 O SER A 98 64.441 33.663 49.911 1.00 0.00 O ATOM 1472 CB SER A 98 62.363 33.217 47.641 1.00 0.00 C ATOM 1473 OG SER A 98 62.018 31.839 47.657 1.00 0.00 O ATOM 0 H SER A 98 63.662 32.277 45.849 1.00 0.00 H new ATOM 0 HA SER A 98 64.162 34.458 47.487 1.00 0.00 H new ATOM 0 HB2 SER A 98 61.960 33.705 48.529 1.00 0.00 H new ATOM 0 HB3 SER A 98 61.904 33.698 46.777 1.00 0.00 H new ATOM 0 HG SER A 98 61.043 31.746 47.690 1.00 0.00 H new ATOM 1479 N SER A 99 64.986 31.706 48.966 1.00 0.00 N ATOM 1480 CA SER A 99 65.645 31.121 50.141 1.00 0.00 C ATOM 1481 C SER A 99 67.109 31.578 50.313 1.00 0.00 C ATOM 1482 O SER A 99 67.630 31.580 51.427 1.00 0.00 O ATOM 1483 CB SER A 99 65.527 29.599 50.047 1.00 0.00 C ATOM 1484 OG SER A 99 65.927 28.957 51.244 1.00 0.00 O ATOM 0 H SER A 99 64.965 31.075 48.165 1.00 0.00 H new ATOM 0 HA SER A 99 65.140 31.480 51.037 1.00 0.00 H new ATOM 0 HB2 SER A 99 64.496 29.330 49.819 1.00 0.00 H new ATOM 0 HB3 SER A 99 66.140 29.239 49.221 1.00 0.00 H new ATOM 0 HG SER A 99 65.835 27.987 51.141 1.00 0.00 H new ATOM 1490 N SER A 100 67.772 31.982 49.223 1.00 0.00 N ATOM 1491 CA SER A 100 69.203 32.254 49.101 1.00 0.00 C ATOM 1492 C SER A 100 69.594 33.722 49.312 1.00 0.00 C ATOM 1493 O SER A 100 70.760 34.035 49.535 1.00 0.00 O ATOM 1494 CB SER A 100 69.574 31.834 47.697 1.00 0.00 C ATOM 1495 OG SER A 100 70.960 31.710 47.531 1.00 0.00 O ATOM 0 H SER A 100 67.284 32.138 48.341 1.00 0.00 H new ATOM 0 HA SER A 100 69.732 31.709 49.883 1.00 0.00 H new ATOM 0 HB2 SER A 100 69.095 30.882 47.466 1.00 0.00 H new ATOM 0 HB3 SER A 100 69.189 32.566 46.987 1.00 0.00 H new ATOM 0 HG SER A 100 71.397 31.724 48.408 1.00 0.00 H new ATOM 1501 N LEU A 101 68.620 34.628 49.244 1.00 0.00 N ATOM 1502 CA LEU A 101 68.711 35.995 49.747 1.00 0.00 C ATOM 1503 C LEU A 101 67.376 36.477 50.340 1.00 0.00 C ATOM 1504 O LEU A 101 66.341 35.842 50.142 1.00 0.00 O ATOM 1505 CB LEU A 101 69.280 36.906 48.653 1.00 0.00 C ATOM 1506 CG LEU A 101 68.293 37.522 47.643 1.00 0.00 C ATOM 1507 CD1 LEU A 101 69.049 38.439 46.681 1.00 0.00 C ATOM 1508 CD2 LEU A 101 67.545 36.482 46.807 1.00 0.00 C ATOM 0 H LEU A 101 67.715 34.422 48.822 1.00 0.00 H new ATOM 0 HA LEU A 101 69.407 36.031 50.585 1.00 0.00 H new ATOM 0 HB2 LEU A 101 69.812 37.722 49.141 1.00 0.00 H new ATOM 0 HB3 LEU A 101 70.019 36.334 48.092 1.00 0.00 H new ATOM 0 HG LEU A 101 67.558 38.068 48.235 1.00 0.00 H new ATOM 0 HD11 LEU A 101 68.349 38.874 45.967 1.00 0.00 H new ATOM 0 HD12 LEU A 101 69.535 39.236 47.244 1.00 0.00 H new ATOM 0 HD13 LEU A 101 69.802 37.862 46.145 1.00 0.00 H new ATOM 0 HD21 LEU A 101 66.868 36.987 46.118 1.00 0.00 H new ATOM 0 HD22 LEU A 101 68.261 35.887 46.241 1.00 0.00 H new ATOM 0 HD23 LEU A 101 66.972 35.830 47.466 1.00 0.00 H new ATOM 1520 N LYS A 102 67.388 37.590 51.080 1.00 0.00 N ATOM 1521 CA LYS A 102 66.228 38.143 51.788 1.00 0.00 C ATOM 1522 C LYS A 102 65.701 39.420 51.136 1.00 0.00 C ATOM 1523 O LYS A 102 66.397 40.056 50.351 1.00 0.00 O ATOM 1524 CB LYS A 102 66.506 38.342 53.291 1.00 0.00 C ATOM 1525 CG LYS A 102 67.862 37.851 53.836 1.00 0.00 C ATOM 1526 CD LYS A 102 68.051 38.160 55.329 1.00 0.00 C ATOM 1527 CE LYS A 102 67.063 37.352 56.174 1.00 0.00 C ATOM 1528 NZ LYS A 102 67.108 37.710 57.609 1.00 0.00 N ATOM 0 H LYS A 102 68.232 38.149 51.207 1.00 0.00 H new ATOM 0 HA LYS A 102 65.436 37.399 51.705 1.00 0.00 H new ATOM 0 HB2 LYS A 102 66.421 39.406 53.511 1.00 0.00 H new ATOM 0 HB3 LYS A 102 65.717 37.837 53.849 1.00 0.00 H new ATOM 0 HG2 LYS A 102 67.943 36.775 53.679 1.00 0.00 H new ATOM 0 HG3 LYS A 102 68.667 38.318 53.268 1.00 0.00 H new ATOM 0 HD2 LYS A 102 69.072 37.924 55.629 1.00 0.00 H new ATOM 0 HD3 LYS A 102 67.904 39.225 55.507 1.00 0.00 H new ATOM 0 HE2 LYS A 102 66.053 37.512 55.796 1.00 0.00 H new ATOM 0 HE3 LYS A 102 67.281 36.290 56.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 66.419 37.133 58.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 68.063 37.533 57.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 66.873 38.717 57.723 1.00 0.00 H new ATOM 1542 N PHE A 103 64.487 39.815 51.507 1.00 0.00 N ATOM 1543 CA PHE A 103 63.820 41.047 51.136 1.00 0.00 C ATOM 1544 C PHE A 103 63.610 41.915 52.386 1.00 0.00 C ATOM 1545 O PHE A 103 63.276 41.424 53.469 1.00 0.00 O ATOM 1546 CB PHE A 103 62.497 40.704 50.442 1.00 0.00 C ATOM 1547 CG PHE A 103 61.797 41.882 49.785 1.00 0.00 C ATOM 1548 CD1 PHE A 103 62.258 42.376 48.549 1.00 0.00 C ATOM 1549 CD2 PHE A 103 60.696 42.496 50.414 1.00 0.00 C ATOM 1550 CE1 PHE A 103 61.629 43.482 47.950 1.00 0.00 C ATOM 1551 CE2 PHE A 103 60.050 43.585 49.804 1.00 0.00 C ATOM 1552 CZ PHE A 103 60.515 44.076 48.571 1.00 0.00 C ATOM 0 H PHE A 103 63.908 39.239 52.117 1.00 0.00 H new ATOM 0 HA PHE A 103 64.430 41.622 50.439 1.00 0.00 H new ATOM 0 HB2 PHE A 103 62.687 39.944 49.684 1.00 0.00 H new ATOM 0 HB3 PHE A 103 61.823 40.262 51.175 1.00 0.00 H new ATOM 0 HD1 PHE A 103 63.097 41.904 48.060 1.00 0.00 H new ATOM 0 HD2 PHE A 103 60.347 42.129 51.368 1.00 0.00 H new ATOM 0 HE1 PHE A 103 62.000 43.875 47.015 1.00 0.00 H new ATOM 0 HE2 PHE A 103 59.197 44.044 50.282 1.00 0.00 H new ATOM 0 HZ PHE A 103 60.016 44.910 48.100 1.00 0.00 H new ATOM 1562 N VAL A 104 63.818 43.211 52.218 1.00 0.00 N ATOM 1563 CA VAL A 104 63.578 44.271 53.197 1.00 0.00 C ATOM 1564 C VAL A 104 62.830 45.456 52.555 1.00 0.00 C ATOM 1565 O VAL A 104 63.337 46.091 51.625 1.00 0.00 O ATOM 1566 CB VAL A 104 64.888 44.678 53.896 1.00 0.00 C ATOM 1567 CG1 VAL A 104 65.872 45.489 53.046 1.00 0.00 C ATOM 1568 CG2 VAL A 104 64.608 45.447 55.192 1.00 0.00 C ATOM 0 H VAL A 104 64.182 43.579 51.339 1.00 0.00 H new ATOM 0 HA VAL A 104 62.922 43.889 53.979 1.00 0.00 H new ATOM 0 HB VAL A 104 65.375 43.724 54.099 1.00 0.00 H new ATOM 0 HG11 VAL A 104 66.758 45.721 53.637 1.00 0.00 H new ATOM 0 HG12 VAL A 104 66.162 44.908 52.171 1.00 0.00 H new ATOM 0 HG13 VAL A 104 65.397 46.416 52.725 1.00 0.00 H new ATOM 0 HG21 VAL A 104 65.552 45.721 55.664 1.00 0.00 H new ATOM 0 HG22 VAL A 104 64.040 46.349 54.964 1.00 0.00 H new ATOM 0 HG23 VAL A 104 64.032 44.818 55.871 1.00 0.00 H new ATOM 1578 N PRO A 105 61.608 45.783 53.007 1.00 0.00 N ATOM 1579 CA PRO A 105 60.876 46.935 52.506 1.00 0.00 C ATOM 1580 C PRO A 105 61.357 48.250 53.135 1.00 0.00 C ATOM 1581 O PRO A 105 62.055 48.266 54.151 1.00 0.00 O ATOM 1582 CB PRO A 105 59.405 46.628 52.803 1.00 0.00 C ATOM 1583 CG PRO A 105 59.489 45.826 54.100 1.00 0.00 C ATOM 1584 CD PRO A 105 60.775 45.017 53.918 1.00 0.00 C ATOM 0 HA PRO A 105 61.037 47.088 51.439 1.00 0.00 H new ATOM 0 HB2 PRO A 105 58.818 47.538 52.926 1.00 0.00 H new ATOM 0 HB3 PRO A 105 58.940 46.055 52.001 1.00 0.00 H new ATOM 0 HG2 PRO A 105 59.540 46.475 54.974 1.00 0.00 H new ATOM 0 HG3 PRO A 105 58.621 45.180 54.233 1.00 0.00 H new ATOM 0 HD2 PRO A 105 61.279 44.866 54.873 1.00 0.00 H new ATOM 0 HD3 PRO A 105 60.559 44.029 53.511 1.00 0.00 H new ATOM 1592 N LYS A 106 60.937 49.383 52.554 1.00 0.00 N ATOM 1593 CA LYS A 106 60.848 50.642 53.291 1.00 0.00 C ATOM 1594 C LYS A 106 59.836 50.561 54.444 1.00 0.00 C ATOM 1595 O LYS A 106 59.163 49.559 54.643 1.00 0.00 O ATOM 1596 CB LYS A 106 60.616 51.840 52.371 1.00 0.00 C ATOM 1597 CG LYS A 106 61.428 53.104 52.712 1.00 0.00 C ATOM 1598 CD LYS A 106 62.935 53.042 52.387 1.00 0.00 C ATOM 1599 CE LYS A 106 63.824 52.333 53.423 1.00 0.00 C ATOM 1600 NZ LYS A 106 65.258 52.655 53.216 1.00 0.00 N ATOM 0 H LYS A 106 60.655 49.449 51.576 1.00 0.00 H new ATOM 0 HA LYS A 106 61.821 50.811 53.753 1.00 0.00 H new ATOM 0 HB2 LYS A 106 60.852 51.542 51.349 1.00 0.00 H new ATOM 0 HB3 LYS A 106 59.556 52.093 52.393 1.00 0.00 H new ATOM 0 HG2 LYS A 106 60.994 53.947 52.175 1.00 0.00 H new ATOM 0 HG3 LYS A 106 61.313 53.311 53.776 1.00 0.00 H new ATOM 0 HD2 LYS A 106 63.058 52.539 51.428 1.00 0.00 H new ATOM 0 HD3 LYS A 106 63.301 54.061 52.262 1.00 0.00 H new ATOM 0 HE2 LYS A 106 63.524 52.631 54.427 1.00 0.00 H new ATOM 0 HE3 LYS A 106 63.678 51.255 53.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 65.831 52.162 53.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 65.549 52.348 52.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 65.400 53.681 53.307 1.00 0.00 H new