USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 752 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 126 LYS NZ :NH3+ 166:sc= 0.468 (180deg=0) USER MOD Set 1.2: A 129 GLN : amide:sc= 0.205 K(o=0.67,f=-1.7) USER MOD Set 2.1: A 104 GLN : amide:sc= 0 X(o=-0.0093,f=0.21) USER MOD Set 2.2: A 107 LYS NZ :NH3+ -162:sc=-0.00929 (180deg=0) USER MOD Set 3.1: A 95 GLN : amide:sc= -0.456 X(o=-1.1,f=-0.62) USER MOD Set 3.2: A 99 ASN : amide:sc= -0.661 K(o=-1.1,f=-3.1!) USER MOD Set 4.1: A 40 MET CE :methyl -159:sc= 0 (180deg=-0.859) USER MOD Set 4.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 122 ASN : amide:sc= -3.63! K(o=-3.6!,f=-1.9) USER MOD Set 6.1: A 57 MET CE :methyl 171:sc= -3.59 (180deg=-4.05!) USER MOD Set 6.2: A 96 CYS SG : rot -87:sc= -0.66 USER MOD Set 7.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -158:sc=-8.22e-07 (180deg=-0.588) USER MOD Single : A 28 THR OG1 : rot -87:sc= 0.365 USER MOD Single : A 47 THR OG1 : rot -74:sc= -0.0108 USER MOD Single : A 48 TYR OH : rot 149:sc= 0.818 USER MOD Single : A 49 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.4!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 100:sc= 1.02 USER MOD Single : A 59 MET CE :methyl -154:sc= -4.37! (180deg=-7.28!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.957 K(o=-0.96,f=-7.9!) USER MOD Single : A 73 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -148:sc= -13.2! (180deg=-16.5!) USER MOD Single : A 81 MET CE :methyl -150:sc= -6.09! (180deg=-8.12!) USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.385) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0904 USER MOD Single : A 93 SER OG : rot 180:sc= -0.878 USER MOD Single : A 94 GLN : amide:sc= -1.18 K(o=-1.2,f=-3.9!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -159:sc= -0.0219 (180deg=-0.74) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -118:sc= -0.0269 (180deg=-0.444) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.014 -5.850 -7.144 1.00 0.00 N ATOM 356 CA GLU A 19 128.661 -6.700 -5.965 1.00 0.00 C ATOM 357 C GLU A 19 127.697 -5.958 -5.032 1.00 0.00 C ATOM 358 O GLU A 19 126.552 -6.335 -4.882 1.00 0.00 O ATOM 359 CB GLU A 19 129.985 -7.000 -5.242 1.00 0.00 C ATOM 360 CG GLU A 19 130.925 -5.788 -5.302 1.00 0.00 C ATOM 361 CD GLU A 19 131.348 -5.400 -3.884 1.00 0.00 C ATOM 362 OE1 GLU A 19 131.830 -6.267 -3.174 1.00 0.00 O ATOM 363 OE2 GLU A 19 131.183 -4.244 -3.534 1.00 0.00 O ATOM 0 HA GLU A 19 128.160 -7.617 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.786 -7.261 -4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 19 130.467 -7.863 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 19 131.803 -6.025 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 19 130.424 -4.949 -5.786 1.00 0.00 H new ATOM 370 N ALA A 20 128.152 -4.915 -4.399 1.00 0.00 N ATOM 371 CA ALA A 20 127.267 -4.156 -3.468 1.00 0.00 C ATOM 372 C ALA A 20 126.204 -3.379 -4.248 1.00 0.00 C ATOM 373 O ALA A 20 125.022 -3.518 -4.007 1.00 0.00 O ATOM 374 CB ALA A 20 128.199 -3.192 -2.734 1.00 0.00 C ATOM 0 H ALA A 20 129.101 -4.552 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 20 126.734 -4.816 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.622 -2.595 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 20 128.958 -3.759 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.683 -2.533 -3.455 1.00 0.00 H new ATOM 380 N GLU A 21 126.615 -2.557 -5.176 1.00 0.00 N ATOM 381 CA GLU A 21 125.627 -1.766 -5.966 1.00 0.00 C ATOM 382 C GLU A 21 124.415 -2.631 -6.328 1.00 0.00 C ATOM 383 O GLU A 21 123.320 -2.137 -6.509 1.00 0.00 O ATOM 384 CB GLU A 21 126.379 -1.341 -7.227 1.00 0.00 C ATOM 385 CG GLU A 21 126.692 -2.574 -8.076 1.00 0.00 C ATOM 386 CD GLU A 21 127.524 -2.160 -9.290 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.509 -0.986 -9.623 1.00 0.00 O ATOM 388 OE2 GLU A 21 128.165 -3.023 -9.868 1.00 0.00 O ATOM 0 H GLU A 21 127.592 -2.399 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 21 125.246 -0.910 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.779 -0.635 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 21 127.302 -0.829 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.236 -3.309 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.766 -3.049 -8.401 1.00 0.00 H new ATOM 395 N ILE A 22 124.603 -3.918 -6.432 1.00 0.00 N ATOM 396 CA ILE A 22 123.460 -4.812 -6.779 1.00 0.00 C ATOM 397 C ILE A 22 122.644 -5.142 -5.526 1.00 0.00 C ATOM 398 O ILE A 22 121.457 -4.887 -5.460 1.00 0.00 O ATOM 399 CB ILE A 22 124.107 -6.077 -7.344 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.999 -5.708 -8.531 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.018 -7.045 -7.809 1.00 0.00 C ATOM 402 CD1 ILE A 22 124.127 -5.292 -9.715 1.00 0.00 C ATOM 0 H ILE A 22 125.497 -4.389 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 22 122.775 -4.349 -7.490 1.00 0.00 H new ATOM 0 HB ILE A 22 124.709 -6.552 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.670 -4.894 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.624 -6.557 -8.807 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.480 -7.946 -8.212 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.382 -7.310 -6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.415 -6.570 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.763 -5.029 -10.560 1.00 0.00 H new ATOM 0 HD12 ILE A 22 123.475 -6.119 -9.995 1.00 0.00 H new ATOM 0 HD13 ILE A 22 123.521 -4.430 -9.435 1.00 0.00 H new ATOM 414 N LYS A 23 123.270 -5.711 -4.533 1.00 0.00 N ATOM 415 CA LYS A 23 122.533 -6.063 -3.283 1.00 0.00 C ATOM 416 C LYS A 23 121.806 -4.835 -2.728 1.00 0.00 C ATOM 417 O LYS A 23 120.890 -4.950 -1.937 1.00 0.00 O ATOM 418 CB LYS A 23 123.613 -6.532 -2.308 1.00 0.00 C ATOM 419 CG LYS A 23 124.136 -7.903 -2.742 1.00 0.00 C ATOM 420 CD LYS A 23 125.634 -7.995 -2.448 1.00 0.00 C ATOM 421 CE LYS A 23 126.273 -9.036 -3.372 1.00 0.00 C ATOM 422 NZ LYS A 23 127.742 -8.848 -3.208 1.00 0.00 N ATOM 0 H LYS A 23 124.262 -5.948 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 23 121.775 -6.827 -3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.431 -5.812 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.206 -6.590 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 23 123.602 -8.692 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 23 123.954 -8.053 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 23 126.105 -7.023 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 125.795 -8.271 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 23 125.971 -10.046 -3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 23 125.969 -8.884 -4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 128.236 -9.231 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 127.954 -7.834 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 128.063 -9.348 -2.354 1.00 0.00 H new ATOM 436 N VAL A 24 122.206 -3.661 -3.133 1.00 0.00 N ATOM 437 CA VAL A 24 121.537 -2.429 -2.624 1.00 0.00 C ATOM 438 C VAL A 24 120.355 -2.061 -3.525 1.00 0.00 C ATOM 439 O VAL A 24 119.326 -1.611 -3.063 1.00 0.00 O ATOM 440 CB VAL A 24 122.611 -1.342 -2.680 1.00 0.00 C ATOM 441 CG1 VAL A 24 122.149 -0.126 -1.874 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.914 -1.879 -2.085 1.00 0.00 C ATOM 0 H VAL A 24 122.966 -3.501 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 24 121.142 -2.560 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 24 122.777 -1.051 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.914 0.649 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 24 121.221 0.259 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.982 -0.419 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.679 -1.104 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.747 -2.171 -1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 24 124.245 -2.746 -2.657 1.00 0.00 H new ATOM 452 N ARG A 25 120.496 -2.250 -4.808 1.00 0.00 N ATOM 453 CA ARG A 25 119.381 -1.910 -5.738 1.00 0.00 C ATOM 454 C ARG A 25 118.173 -2.808 -5.466 1.00 0.00 C ATOM 455 O ARG A 25 117.038 -2.382 -5.546 1.00 0.00 O ATOM 456 CB ARG A 25 119.938 -2.170 -7.138 1.00 0.00 C ATOM 457 CG ARG A 25 119.281 -1.212 -8.134 1.00 0.00 C ATOM 458 CD ARG A 25 119.819 -1.488 -9.540 1.00 0.00 C ATOM 459 NE ARG A 25 120.151 -0.146 -10.094 1.00 0.00 N ATOM 460 CZ ARG A 25 119.227 0.772 -10.183 1.00 0.00 C ATOM 461 NH1 ARG A 25 118.453 0.819 -11.233 1.00 0.00 N ATOM 462 NH2 ARG A 25 119.078 1.643 -9.222 1.00 0.00 N ATOM 0 H ARG A 25 121.334 -2.625 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 25 119.044 -0.880 -5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 25 121.019 -2.031 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.748 -3.203 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 25 118.198 -1.338 -8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 25 119.486 -0.180 -7.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 120.699 -2.130 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.076 -1.996 -10.155 1.00 0.00 H new ATOM 0 HE ARG A 25 121.101 0.056 -10.404 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.570 0.139 -11.984 1.00 0.00 H new ATOM 0 HH12 ARG A 25 117.731 1.536 -11.303 1.00 0.00 H new ATOM 0 HH21 ARG A 25 119.683 1.606 -8.402 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.356 2.360 -9.291 1.00 0.00 H new ATOM 476 N GLU A 26 118.409 -4.049 -5.143 1.00 0.00 N ATOM 477 CA GLU A 26 117.277 -4.977 -4.866 1.00 0.00 C ATOM 478 C GLU A 26 116.833 -4.851 -3.405 1.00 0.00 C ATOM 479 O GLU A 26 115.657 -4.865 -3.101 1.00 0.00 O ATOM 480 CB GLU A 26 117.833 -6.374 -5.139 1.00 0.00 C ATOM 481 CG GLU A 26 117.198 -6.936 -6.413 1.00 0.00 C ATOM 482 CD GLU A 26 118.040 -8.101 -6.934 1.00 0.00 C ATOM 483 OE1 GLU A 26 119.182 -7.867 -7.295 1.00 0.00 O ATOM 484 OE2 GLU A 26 117.530 -9.209 -6.963 1.00 0.00 O ATOM 0 H GLU A 26 119.338 -4.461 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 26 116.405 -4.758 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.917 -6.331 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 26 117.624 -7.032 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.182 -7.272 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 26 117.129 -6.156 -7.171 1.00 0.00 H new ATOM 491 N ALA A 27 117.765 -4.729 -2.501 1.00 0.00 N ATOM 492 CA ALA A 27 117.396 -4.604 -1.062 1.00 0.00 C ATOM 493 C ALA A 27 116.320 -3.528 -0.884 1.00 0.00 C ATOM 494 O ALA A 27 115.411 -3.671 -0.091 1.00 0.00 O ATOM 495 CB ALA A 27 118.690 -4.195 -0.357 1.00 0.00 C ATOM 0 H ALA A 27 118.766 -4.710 -2.696 1.00 0.00 H new ATOM 0 HA ALA A 27 116.987 -5.530 -0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.502 -4.082 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.448 -4.963 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.043 -3.248 -0.766 1.00 0.00 H new ATOM 501 N THR A 28 116.416 -2.454 -1.619 1.00 0.00 N ATOM 502 CA THR A 28 115.398 -1.370 -1.493 1.00 0.00 C ATOM 503 C THR A 28 114.295 -1.555 -2.538 1.00 0.00 C ATOM 504 O THR A 28 113.943 -0.638 -3.253 1.00 0.00 O ATOM 505 CB THR A 28 116.166 -0.071 -1.749 1.00 0.00 C ATOM 506 OG1 THR A 28 116.694 -0.080 -3.070 1.00 0.00 O ATOM 507 CG2 THR A 28 117.310 0.054 -0.741 1.00 0.00 C ATOM 0 H THR A 28 117.154 -2.279 -2.301 1.00 0.00 H new ATOM 0 HA THR A 28 114.914 -1.372 -0.516 1.00 0.00 H new ATOM 0 HB THR A 28 115.490 0.776 -1.637 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.573 -0.514 -3.068 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.857 0.979 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.904 0.066 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.986 -0.794 -0.851 1.00 0.00 H new ATOM 644 N LEU A 39 120.924 -10.562 1.943 1.00 0.00 N ATOM 645 CA LEU A 39 120.860 -9.300 1.151 1.00 0.00 C ATOM 646 C LEU A 39 121.112 -8.091 2.056 1.00 0.00 C ATOM 647 O LEU A 39 121.755 -7.137 1.668 1.00 0.00 O ATOM 648 CB LEU A 39 119.438 -9.261 0.589 1.00 0.00 C ATOM 649 CG LEU A 39 119.449 -8.610 -0.796 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.918 -7.159 -0.676 1.00 0.00 C ATOM 651 CD2 LEU A 39 120.403 -9.379 -1.712 1.00 0.00 C ATOM 0 HA LEU A 39 121.613 -9.268 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.035 -10.271 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.787 -8.701 1.260 1.00 0.00 H new ATOM 0 HG LEU A 39 118.443 -8.632 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 39 119.926 -6.696 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 39 119.239 -6.610 -0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 120.924 -7.135 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 39 120.412 -8.916 -2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 39 121.408 -9.356 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 39 120.069 -10.413 -1.799 1.00 0.00 H new ATOM 663 N MET A 40 120.609 -8.125 3.261 1.00 0.00 N ATOM 664 CA MET A 40 120.819 -6.975 4.189 1.00 0.00 C ATOM 665 C MET A 40 122.191 -7.080 4.862 1.00 0.00 C ATOM 666 O MET A 40 123.027 -6.209 4.726 1.00 0.00 O ATOM 667 CB MET A 40 119.702 -7.093 5.226 1.00 0.00 C ATOM 668 CG MET A 40 119.568 -5.772 5.984 1.00 0.00 C ATOM 669 SD MET A 40 119.071 -4.464 4.835 1.00 0.00 S ATOM 670 CE MET A 40 117.282 -4.686 4.999 1.00 0.00 C ATOM 0 H MET A 40 120.063 -8.897 3.643 1.00 0.00 H new ATOM 0 HA MET A 40 120.794 -6.017 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 40 118.761 -7.340 4.735 1.00 0.00 H new ATOM 0 HB3 MET A 40 119.921 -7.903 5.922 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.830 -5.871 6.780 1.00 0.00 H new ATOM 0 HG3 MET A 40 120.515 -5.514 6.457 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.781 -4.259 4.130 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.052 -5.749 5.065 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.934 -4.183 5.901 1.00 0.00 H new ATOM 680 N SER A 41 122.427 -8.139 5.587 1.00 0.00 N ATOM 681 CA SER A 41 123.744 -8.297 6.268 1.00 0.00 C ATOM 682 C SER A 41 124.881 -8.233 5.245 1.00 0.00 C ATOM 683 O SER A 41 126.015 -7.954 5.579 1.00 0.00 O ATOM 684 CB SER A 41 123.689 -9.675 6.922 1.00 0.00 C ATOM 685 OG SER A 41 124.728 -9.780 7.887 1.00 0.00 O ATOM 0 H SER A 41 121.766 -8.901 5.737 1.00 0.00 H new ATOM 0 HA SER A 41 123.929 -7.507 6.996 1.00 0.00 H new ATOM 0 HB2 SER A 41 122.720 -9.826 7.397 1.00 0.00 H new ATOM 0 HB3 SER A 41 123.799 -10.453 6.167 1.00 0.00 H new ATOM 0 HG SER A 41 124.694 -10.664 8.310 1.00 0.00 H new ATOM 691 N GLU A 42 124.586 -8.490 4.001 1.00 0.00 N ATOM 692 CA GLU A 42 125.649 -8.446 2.957 1.00 0.00 C ATOM 693 C GLU A 42 125.984 -6.995 2.604 1.00 0.00 C ATOM 694 O GLU A 42 127.122 -6.574 2.682 1.00 0.00 O ATOM 695 CB GLU A 42 125.048 -9.169 1.752 1.00 0.00 C ATOM 696 CG GLU A 42 126.144 -9.958 1.032 1.00 0.00 C ATOM 697 CD GLU A 42 125.504 -11.027 0.145 1.00 0.00 C ATOM 698 OE1 GLU A 42 124.449 -10.759 -0.406 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.079 -12.098 0.033 1.00 0.00 O ATOM 0 H GLU A 42 123.654 -8.729 3.662 1.00 0.00 H new ATOM 0 HA GLU A 42 126.577 -8.912 3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.254 -9.842 2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 42 124.596 -8.449 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.753 -9.286 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 42 126.809 -10.424 1.759 1.00 0.00 H new ATOM 706 N ILE A 43 125.004 -6.226 2.212 1.00 0.00 N ATOM 707 CA ILE A 43 125.272 -4.803 1.854 1.00 0.00 C ATOM 708 C ILE A 43 126.099 -4.129 2.953 1.00 0.00 C ATOM 709 O ILE A 43 126.960 -3.315 2.683 1.00 0.00 O ATOM 710 CB ILE A 43 123.893 -4.157 1.738 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.201 -4.671 0.473 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.046 -2.638 1.653 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.685 -4.547 0.630 1.00 0.00 C ATOM 0 H ILE A 43 124.031 -6.521 2.124 1.00 0.00 H new ATOM 0 HA ILE A 43 125.841 -4.708 0.929 1.00 0.00 H new ATOM 0 HB ILE A 43 123.295 -4.412 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.535 -4.100 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.474 -5.711 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.062 -2.177 1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.544 -2.272 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.642 -2.381 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.195 -4.914 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.358 -5.137 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.420 -3.502 0.788 1.00 0.00 H new ATOM 725 N ALA A 44 125.851 -4.466 4.189 1.00 0.00 N ATOM 726 CA ALA A 44 126.633 -3.850 5.300 1.00 0.00 C ATOM 727 C ALA A 44 128.087 -4.328 5.228 1.00 0.00 C ATOM 728 O ALA A 44 129.017 -3.542 5.163 1.00 0.00 O ATOM 729 CB ALA A 44 125.964 -4.349 6.580 1.00 0.00 C ATOM 0 H ALA A 44 125.142 -5.140 4.478 1.00 0.00 H new ATOM 0 HA ALA A 44 126.647 -2.761 5.252 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.483 -3.938 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 44 124.923 -4.028 6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.008 -5.438 6.613 1.00 0.00 H new ATOM 735 N ASP A 45 128.292 -5.616 5.223 1.00 0.00 N ATOM 736 CA ASP A 45 129.680 -6.140 5.138 1.00 0.00 C ATOM 737 C ASP A 45 130.403 -5.457 3.979 1.00 0.00 C ATOM 738 O ASP A 45 131.615 -5.372 3.949 1.00 0.00 O ATOM 739 CB ASP A 45 129.529 -7.639 4.873 1.00 0.00 C ATOM 740 CG ASP A 45 129.388 -8.379 6.203 1.00 0.00 C ATOM 741 OD1 ASP A 45 129.876 -7.869 7.197 1.00 0.00 O ATOM 742 OD2 ASP A 45 128.794 -9.445 6.204 1.00 0.00 O ATOM 0 H ASP A 45 127.560 -6.325 5.274 1.00 0.00 H new ATOM 0 HA ASP A 45 130.258 -5.954 6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.655 -7.823 4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.396 -8.012 4.327 1.00 0.00 H new ATOM 747 N LEU A 46 129.660 -4.963 3.028 1.00 0.00 N ATOM 748 CA LEU A 46 130.289 -4.275 1.869 1.00 0.00 C ATOM 749 C LEU A 46 130.686 -2.853 2.261 1.00 0.00 C ATOM 750 O LEU A 46 131.737 -2.370 1.896 1.00 0.00 O ATOM 751 CB LEU A 46 129.213 -4.258 0.785 1.00 0.00 C ATOM 752 CG LEU A 46 129.257 -5.570 0.000 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.877 -5.860 -0.591 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.280 -5.451 -1.132 1.00 0.00 C ATOM 0 H LEU A 46 128.641 -5.007 3.005 1.00 0.00 H new ATOM 0 HA LEU A 46 131.195 -4.776 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.230 -4.125 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.372 -3.415 0.113 1.00 0.00 H new ATOM 0 HG LEU A 46 129.543 -6.383 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.910 -6.795 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.147 -5.944 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.589 -5.048 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.313 -6.385 -1.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 129.992 -4.638 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.265 -5.245 -0.712 1.00 0.00 H new ATOM 766 N THR A 47 129.858 -2.180 3.010 1.00 0.00 N ATOM 767 CA THR A 47 130.208 -0.792 3.422 1.00 0.00 C ATOM 768 C THR A 47 131.643 -0.770 3.941 1.00 0.00 C ATOM 769 O THR A 47 132.399 0.143 3.673 1.00 0.00 O ATOM 770 CB THR A 47 129.227 -0.425 4.536 1.00 0.00 C ATOM 771 OG1 THR A 47 129.395 -1.314 5.630 1.00 0.00 O ATOM 772 CG2 THR A 47 127.797 -0.517 4.011 1.00 0.00 C ATOM 0 H THR A 47 128.962 -2.527 3.352 1.00 0.00 H new ATOM 0 HA THR A 47 130.141 -0.085 2.595 1.00 0.00 H new ATOM 0 HB THR A 47 129.422 0.595 4.868 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.019 -2.189 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.100 -0.255 4.807 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.671 0.173 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.598 -1.534 3.674 1.00 0.00 H new ATOM 780 N TYR A 48 132.031 -1.777 4.673 1.00 0.00 N ATOM 781 CA TYR A 48 133.430 -1.809 5.192 1.00 0.00 C ATOM 782 C TYR A 48 134.395 -1.449 4.064 1.00 0.00 C ATOM 783 O TYR A 48 135.253 -0.601 4.205 1.00 0.00 O ATOM 784 CB TYR A 48 133.666 -3.251 5.635 1.00 0.00 C ATOM 785 CG TYR A 48 132.962 -3.504 6.942 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.543 -3.091 8.146 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.729 -4.159 6.946 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.887 -3.336 9.358 1.00 0.00 C ATOM 789 CE2 TYR A 48 131.070 -4.404 8.157 1.00 0.00 C ATOM 790 CZ TYR A 48 131.651 -3.991 9.364 1.00 0.00 C ATOM 791 OH TYR A 48 131.006 -4.235 10.559 1.00 0.00 O ATOM 0 H TYR A 48 131.448 -2.572 4.933 1.00 0.00 H new ATOM 0 HA TYR A 48 133.585 -1.104 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.299 -3.940 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.734 -3.437 5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.496 -2.584 8.140 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.283 -4.477 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.335 -3.019 10.288 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.116 -4.910 8.161 1.00 0.00 H new ATOM 0 HH TYR A 48 130.037 -4.224 10.416 1.00 0.00 H new ATOM 801 N ASN A 49 134.251 -2.100 2.944 1.00 0.00 N ATOM 802 CA ASN A 49 135.150 -1.814 1.786 1.00 0.00 C ATOM 803 C ASN A 49 134.885 -0.424 1.228 1.00 0.00 C ATOM 804 O ASN A 49 134.074 -0.238 0.345 1.00 0.00 O ATOM 805 CB ASN A 49 134.821 -2.888 0.748 1.00 0.00 C ATOM 806 CG ASN A 49 134.907 -4.271 1.398 1.00 0.00 C ATOM 807 OD1 ASN A 49 135.428 -4.413 2.486 1.00 0.00 O ATOM 808 ND2 ASN A 49 134.414 -5.304 0.771 1.00 0.00 N ATOM 0 H ASN A 49 133.548 -2.820 2.778 1.00 0.00 H new ATOM 0 HA ASN A 49 136.201 -1.835 2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.821 -2.725 0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 49 135.516 -2.824 -0.089 1.00 0.00 H new ATOM 0 HD21 ASN A 49 134.466 -6.230 1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 49 133.976 -5.185 -0.143 1.00 0.00 H new ATOM 815 N VAL A 50 135.612 0.529 1.744 1.00 0.00 N ATOM 816 CA VAL A 50 135.523 1.952 1.295 1.00 0.00 C ATOM 817 C VAL A 50 134.704 2.117 0.008 1.00 0.00 C ATOM 818 O VAL A 50 133.730 2.844 -0.026 1.00 0.00 O ATOM 819 CB VAL A 50 136.988 2.356 1.054 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.595 2.855 2.365 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.814 1.153 0.543 1.00 0.00 C ATOM 0 H VAL A 50 136.292 0.374 2.489 1.00 0.00 H new ATOM 0 HA VAL A 50 135.015 2.571 2.034 1.00 0.00 H new ATOM 0 HB VAL A 50 137.011 3.143 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.633 3.142 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.032 3.718 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.553 2.061 3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.846 1.463 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.788 0.353 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.391 0.793 -0.395 1.00 0.00 H new ATOM 831 N VAL A 51 135.085 1.456 -1.051 1.00 0.00 N ATOM 832 CA VAL A 51 134.319 1.589 -2.324 1.00 0.00 C ATOM 833 C VAL A 51 132.914 1.028 -2.156 1.00 0.00 C ATOM 834 O VAL A 51 131.930 1.735 -2.251 1.00 0.00 O ATOM 835 CB VAL A 51 135.088 0.746 -3.351 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.143 0.289 -4.480 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.221 1.585 -3.944 1.00 0.00 C ATOM 0 H VAL A 51 135.891 0.832 -1.091 1.00 0.00 H new ATOM 0 HA VAL A 51 134.224 2.631 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 51 135.498 -0.134 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.700 -0.308 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.336 -0.311 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.723 1.162 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.770 0.991 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.804 2.466 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.897 1.898 -3.148 1.00 0.00 H new ATOM 847 N ALA A 52 132.828 -0.254 -1.955 1.00 0.00 N ATOM 848 CA ALA A 52 131.505 -0.911 -1.828 1.00 0.00 C ATOM 849 C ALA A 52 130.526 -0.016 -1.066 1.00 0.00 C ATOM 850 O ALA A 52 129.368 0.084 -1.412 1.00 0.00 O ATOM 851 CB ALA A 52 131.774 -2.194 -1.049 1.00 0.00 C ATOM 0 H ALA A 52 133.629 -0.881 -1.873 1.00 0.00 H new ATOM 0 HA ALA A 52 131.053 -1.108 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.840 -2.740 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.479 -2.814 -1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.195 -1.946 -0.075 1.00 0.00 H new ATOM 857 N PHE A 53 130.984 0.636 -0.034 1.00 0.00 N ATOM 858 CA PHE A 53 130.081 1.527 0.745 1.00 0.00 C ATOM 859 C PHE A 53 129.506 2.616 -0.166 1.00 0.00 C ATOM 860 O PHE A 53 128.308 2.796 -0.256 1.00 0.00 O ATOM 861 CB PHE A 53 130.976 2.141 1.824 1.00 0.00 C ATOM 862 CG PHE A 53 130.307 3.364 2.396 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.073 3.247 3.041 1.00 0.00 C ATOM 864 CD2 PHE A 53 130.922 4.614 2.279 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.450 4.382 3.570 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.301 5.752 2.808 1.00 0.00 C ATOM 867 CZ PHE A 53 129.064 5.635 3.454 1.00 0.00 C ATOM 0 H PHE A 53 131.945 0.590 0.304 1.00 0.00 H new ATOM 0 HA PHE A 53 129.233 0.993 1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.163 1.413 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.944 2.408 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.600 2.280 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 53 131.876 4.702 1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.496 4.292 4.068 1.00 0.00 H new ATOM 0 HE2 PHE A 53 130.775 6.718 2.718 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.583 6.512 3.863 1.00 0.00 H new ATOM 877 N SER A 54 130.352 3.343 -0.845 1.00 0.00 N ATOM 878 CA SER A 54 129.853 4.417 -1.751 1.00 0.00 C ATOM 879 C SER A 54 128.871 3.827 -2.765 1.00 0.00 C ATOM 880 O SER A 54 127.924 4.469 -3.175 1.00 0.00 O ATOM 881 CB SER A 54 131.099 4.951 -2.456 1.00 0.00 C ATOM 882 OG SER A 54 130.768 6.145 -3.152 1.00 0.00 O ATOM 0 H SER A 54 131.366 3.240 -0.811 1.00 0.00 H new ATOM 0 HA SER A 54 129.324 5.204 -1.214 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.887 5.147 -1.729 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.485 4.206 -3.152 1.00 0.00 H new ATOM 0 HG SER A 54 131.565 6.492 -3.604 1.00 0.00 H new ATOM 888 N GLU A 55 129.087 2.605 -3.167 1.00 0.00 N ATOM 889 CA GLU A 55 128.166 1.968 -4.149 1.00 0.00 C ATOM 890 C GLU A 55 126.862 1.565 -3.455 1.00 0.00 C ATOM 891 O GLU A 55 125.814 1.491 -4.068 1.00 0.00 O ATOM 892 CB GLU A 55 128.915 0.729 -4.647 1.00 0.00 C ATOM 893 CG GLU A 55 130.350 1.113 -5.024 1.00 0.00 C ATOM 894 CD GLU A 55 130.544 0.941 -6.531 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.327 -0.158 -7.015 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.907 1.911 -7.176 1.00 0.00 O ATOM 0 H GLU A 55 129.863 2.020 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 55 127.900 2.638 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.925 -0.038 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.403 0.304 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.549 2.145 -4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.060 0.488 -4.481 1.00 0.00 H new ATOM 903 N ILE A 56 126.922 1.306 -2.176 1.00 0.00 N ATOM 904 CA ILE A 56 125.694 0.908 -1.431 1.00 0.00 C ATOM 905 C ILE A 56 124.858 2.147 -1.098 1.00 0.00 C ATOM 906 O ILE A 56 123.798 2.358 -1.654 1.00 0.00 O ATOM 907 CB ILE A 56 126.210 0.246 -0.154 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.754 -1.145 -0.487 1.00 0.00 C ATOM 909 CG2 ILE A 56 125.069 0.116 0.855 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.955 -1.453 0.408 1.00 0.00 C ATOM 0 H ILE A 56 127.772 1.353 -1.614 1.00 0.00 H new ATOM 0 HA ILE A 56 125.054 0.239 -2.006 1.00 0.00 H new ATOM 0 HB ILE A 56 127.004 0.857 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.977 -1.895 -0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.048 -1.190 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.440 -0.356 1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.679 1.106 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.273 -0.494 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.342 -2.444 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.734 -0.710 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.647 -1.425 1.453 1.00 0.00 H new ATOM 922 N MET A 57 125.330 2.972 -0.204 1.00 0.00 N ATOM 923 CA MET A 57 124.560 4.198 0.149 1.00 0.00 C ATOM 924 C MET A 57 124.090 4.893 -1.129 1.00 0.00 C ATOM 925 O MET A 57 123.009 5.440 -1.188 1.00 0.00 O ATOM 926 CB MET A 57 125.546 5.084 0.907 1.00 0.00 C ATOM 927 CG MET A 57 125.682 4.584 2.346 1.00 0.00 C ATOM 928 SD MET A 57 124.069 4.656 3.165 1.00 0.00 S ATOM 929 CE MET A 57 124.097 6.422 3.560 1.00 0.00 C ATOM 0 H MET A 57 126.211 2.851 0.295 1.00 0.00 H new ATOM 0 HA MET A 57 123.675 3.978 0.746 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.517 5.070 0.413 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.200 6.118 0.901 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.060 3.562 2.353 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.404 5.195 2.888 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.119 6.727 3.934 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.852 6.612 4.322 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.336 6.992 2.662 1.00 0.00 H new ATOM 939 N SER A 58 124.896 4.869 -2.155 1.00 0.00 N ATOM 940 CA SER A 58 124.495 5.522 -3.434 1.00 0.00 C ATOM 941 C SER A 58 123.149 4.965 -3.905 1.00 0.00 C ATOM 942 O SER A 58 122.171 5.679 -4.002 1.00 0.00 O ATOM 943 CB SER A 58 125.600 5.162 -4.427 1.00 0.00 C ATOM 944 OG SER A 58 126.636 6.132 -4.351 1.00 0.00 O ATOM 0 H SER A 58 125.815 4.426 -2.163 1.00 0.00 H new ATOM 0 HA SER A 58 124.378 6.601 -3.331 1.00 0.00 H new ATOM 0 HB2 SER A 58 125.997 4.172 -4.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.197 5.123 -5.439 1.00 0.00 H new ATOM 0 HG SER A 58 127.374 5.781 -3.810 1.00 0.00 H new ATOM 950 N MET A 59 123.088 3.693 -4.190 1.00 0.00 N ATOM 951 CA MET A 59 121.799 3.094 -4.646 1.00 0.00 C ATOM 952 C MET A 59 120.726 3.293 -3.572 1.00 0.00 C ATOM 953 O MET A 59 119.543 3.251 -3.845 1.00 0.00 O ATOM 954 CB MET A 59 122.097 1.607 -4.837 1.00 0.00 C ATOM 955 CG MET A 59 121.925 1.237 -6.311 1.00 0.00 C ATOM 956 SD MET A 59 123.554 1.049 -7.079 1.00 0.00 S ATOM 957 CE MET A 59 124.203 2.678 -6.633 1.00 0.00 C ATOM 0 H MET A 59 123.872 3.043 -4.127 1.00 0.00 H new ATOM 0 HA MET A 59 121.427 3.553 -5.562 1.00 0.00 H new ATOM 0 HB2 MET A 59 123.113 1.384 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.426 1.009 -4.220 1.00 0.00 H new ATOM 0 HG2 MET A 59 121.359 0.310 -6.401 1.00 0.00 H new ATOM 0 HG3 MET A 59 121.355 2.009 -6.827 1.00 0.00 H new ATOM 0 HE1 MET A 59 124.967 2.974 -7.351 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.393 3.408 -6.643 1.00 0.00 H new ATOM 0 HE3 MET A 59 124.640 2.635 -5.635 1.00 0.00 H new ATOM 967 N ILE A 60 121.135 3.513 -2.353 1.00 0.00 N ATOM 968 CA ILE A 60 120.149 3.719 -1.255 1.00 0.00 C ATOM 969 C ILE A 60 119.553 5.131 -1.351 1.00 0.00 C ATOM 970 O ILE A 60 118.420 5.366 -0.978 1.00 0.00 O ATOM 971 CB ILE A 60 120.969 3.533 0.034 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.850 2.079 0.501 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.459 4.461 1.142 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.155 1.645 1.173 1.00 0.00 C ATOM 0 H ILE A 60 122.114 3.559 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 60 119.306 3.029 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 60 122.010 3.779 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.019 1.978 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.634 1.431 -0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.053 4.312 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.546 5.498 0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.414 4.234 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 60 122.067 0.610 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.976 1.730 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.352 2.286 2.033 1.00 0.00 H new ATOM 986 N TRP A 61 120.311 6.069 -1.850 1.00 0.00 N ATOM 987 CA TRP A 61 119.797 7.464 -1.975 1.00 0.00 C ATOM 988 C TRP A 61 118.834 7.572 -3.159 1.00 0.00 C ATOM 989 O TRP A 61 117.765 8.139 -3.053 1.00 0.00 O ATOM 990 CB TRP A 61 121.041 8.319 -2.219 1.00 0.00 C ATOM 991 CG TRP A 61 121.867 8.367 -0.974 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.197 8.129 -0.913 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.441 8.667 0.386 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.615 8.266 0.399 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.569 8.596 1.237 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.198 8.991 0.958 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.468 8.838 2.608 1.00 0.00 C ATOM 998 CZ3 TRP A 61 120.091 9.234 2.336 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.223 9.157 3.160 1.00 0.00 C ATOM 0 H TRP A 61 121.267 5.930 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 61 119.246 7.782 -1.090 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.625 7.903 -3.040 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.750 9.327 -2.514 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.829 7.874 -1.751 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.578 8.139 0.709 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.320 9.053 0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.344 8.779 3.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.131 9.482 2.764 1.00 0.00 H new ATOM 0 HH2 TRP A 61 121.134 9.344 4.220 1.00 0.00 H new ATOM 1010 N LYS A 62 119.207 7.036 -4.289 1.00 0.00 N ATOM 1011 CA LYS A 62 118.315 7.111 -5.482 1.00 0.00 C ATOM 1012 C LYS A 62 116.939 6.519 -5.158 1.00 0.00 C ATOM 1013 O LYS A 62 115.917 7.106 -5.453 1.00 0.00 O ATOM 1014 CB LYS A 62 119.019 6.277 -6.552 1.00 0.00 C ATOM 1015 CG LYS A 62 119.774 7.201 -7.510 1.00 0.00 C ATOM 1016 CD LYS A 62 121.270 7.158 -7.191 1.00 0.00 C ATOM 1017 CE LYS A 62 121.915 8.493 -7.573 1.00 0.00 C ATOM 1018 NZ LYS A 62 123.107 8.611 -6.688 1.00 0.00 N ATOM 0 H LYS A 62 120.091 6.549 -4.438 1.00 0.00 H new ATOM 0 HA LYS A 62 118.147 8.138 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.712 5.577 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.289 5.683 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.603 6.891 -8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.401 8.221 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.420 6.960 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.745 6.343 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.201 8.507 -8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.225 9.323 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.603 9.503 -6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 122.803 8.602 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.749 7.811 -6.861 1.00 0.00 H new ATOM 1032 N ARG A 63 116.907 5.361 -4.556 1.00 0.00 N ATOM 1033 CA ARG A 63 115.595 4.733 -4.217 1.00 0.00 C ATOM 1034 C ARG A 63 114.972 5.425 -3.001 1.00 0.00 C ATOM 1035 O ARG A 63 113.823 5.206 -2.671 1.00 0.00 O ATOM 1036 CB ARG A 63 115.925 3.277 -3.894 1.00 0.00 C ATOM 1037 CG ARG A 63 116.470 2.584 -5.145 1.00 0.00 C ATOM 1038 CD ARG A 63 115.306 2.171 -6.049 1.00 0.00 C ATOM 1039 NE ARG A 63 115.506 2.940 -7.308 1.00 0.00 N ATOM 1040 CZ ARG A 63 115.940 2.337 -8.381 1.00 0.00 C ATOM 1041 NH1 ARG A 63 116.692 1.276 -8.275 1.00 0.00 N ATOM 1042 NH2 ARG A 63 115.620 2.795 -9.561 1.00 0.00 N ATOM 0 H ARG A 63 117.730 4.823 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 63 114.876 4.818 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.660 3.230 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.032 2.761 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.141 3.255 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.054 1.708 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 63 115.313 1.097 -6.237 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.346 2.408 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 63 115.304 3.939 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 63 116.941 0.917 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 63 117.031 0.805 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 63 115.031 3.624 -9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 63 115.959 2.324 -10.400 1.00 0.00 H new ATOM 1056 N LEU A 64 115.721 6.256 -2.330 1.00 0.00 N ATOM 1057 CA LEU A 64 115.171 6.959 -1.134 1.00 0.00 C ATOM 1058 C LEU A 64 114.393 8.203 -1.560 1.00 0.00 C ATOM 1059 O LEU A 64 113.612 8.747 -0.805 1.00 0.00 O ATOM 1060 CB LEU A 64 116.394 7.364 -0.316 1.00 0.00 C ATOM 1061 CG LEU A 64 116.614 6.352 0.808 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.908 6.684 1.552 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.434 6.410 1.780 1.00 0.00 C ATOM 0 H LEU A 64 116.690 6.479 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 64 114.485 6.327 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.275 7.409 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.252 8.361 0.101 1.00 0.00 H new ATOM 0 HG LEU A 64 116.689 5.350 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.063 5.961 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.748 6.642 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.837 7.686 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.588 5.689 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.359 7.412 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.513 6.170 1.249 1.00 0.00 H new ATOM 1075 N ASN A 65 114.606 8.662 -2.760 1.00 0.00 N ATOM 1076 CA ASN A 65 113.886 9.873 -3.225 1.00 0.00 C ATOM 1077 C ASN A 65 112.882 9.500 -4.316 1.00 0.00 C ATOM 1078 O ASN A 65 112.747 10.186 -5.311 1.00 0.00 O ATOM 1079 CB ASN A 65 114.974 10.791 -3.786 1.00 0.00 C ATOM 1080 CG ASN A 65 115.437 11.758 -2.696 1.00 0.00 C ATOM 1081 OD1 ASN A 65 114.880 11.787 -1.617 1.00 0.00 O ATOM 1082 ND2 ASN A 65 116.441 12.558 -2.933 1.00 0.00 N ATOM 0 H ASN A 65 115.248 8.250 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 65 113.323 10.353 -2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.816 10.198 -4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.590 11.347 -4.641 1.00 0.00 H new ATOM 0 HD21 ASN A 65 116.757 13.207 -2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 65 116.909 12.534 -3.839 1.00 0.00 H new ATOM 1161 N TRP A 71 106.572 5.075 -3.006 1.00 0.00 N ATOM 1162 CA TRP A 71 107.243 5.210 -1.680 1.00 0.00 C ATOM 1163 C TRP A 71 107.661 3.835 -1.153 1.00 0.00 C ATOM 1164 O TRP A 71 108.504 3.723 -0.286 1.00 0.00 O ATOM 1165 CB TRP A 71 106.187 5.836 -0.767 1.00 0.00 C ATOM 1166 CG TRP A 71 104.992 4.940 -0.702 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.806 5.182 -1.307 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.846 3.668 -0.006 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.941 4.139 -1.027 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.536 3.181 -0.228 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.713 2.898 0.787 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.101 1.973 0.318 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.280 1.680 1.339 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.977 1.219 1.104 1.00 0.00 C ATOM 0 HA TRP A 71 108.148 5.815 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.597 5.987 0.232 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.899 6.817 -1.145 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.573 6.047 -1.910 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.981 4.084 -1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.719 3.244 0.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.096 1.623 0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 105.955 1.096 1.947 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.650 0.282 1.530 1.00 0.00 H new ATOM 1185 N ARG A 72 107.079 2.787 -1.670 1.00 0.00 N ATOM 1186 CA ARG A 72 107.443 1.420 -1.195 1.00 0.00 C ATOM 1187 C ARG A 72 108.966 1.254 -1.175 1.00 0.00 C ATOM 1188 O ARG A 72 109.524 0.677 -0.264 1.00 0.00 O ATOM 1189 CB ARG A 72 106.812 0.466 -2.210 1.00 0.00 C ATOM 1190 CG ARG A 72 105.305 0.722 -2.281 1.00 0.00 C ATOM 1191 CD ARG A 72 104.554 -0.608 -2.178 1.00 0.00 C ATOM 1192 NE ARG A 72 104.860 -1.323 -3.449 1.00 0.00 N ATOM 1193 CZ ARG A 72 104.125 -1.115 -4.507 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.071 -1.853 -4.723 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.443 -0.169 -5.347 1.00 0.00 N ATOM 0 H ARG A 72 106.368 2.818 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 72 107.090 1.228 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.263 0.612 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.003 -0.568 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.000 1.387 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 72 105.054 1.222 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.885 -1.182 -1.313 1.00 0.00 H new ATOM 0 HD3 ARG A 72 103.482 -0.448 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 72 105.644 -1.975 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.822 -2.592 -4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 72 102.496 -1.691 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.266 0.408 -5.177 1.00 0.00 H new ATOM 0 HH22 ARG A 72 103.868 -0.007 -6.174 1.00 0.00 H new ATOM 1209 N HIS A 73 109.641 1.756 -2.172 1.00 0.00 N ATOM 1210 CA HIS A 73 111.126 1.625 -2.206 1.00 0.00 C ATOM 1211 C HIS A 73 111.754 2.466 -1.091 1.00 0.00 C ATOM 1212 O HIS A 73 112.602 2.004 -0.356 1.00 0.00 O ATOM 1213 CB HIS A 73 111.539 2.156 -3.579 1.00 0.00 C ATOM 1214 CG HIS A 73 111.227 1.125 -4.628 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.896 1.076 -5.840 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.319 0.095 -4.660 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.387 0.049 -6.545 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.421 -0.582 -5.872 1.00 0.00 N ATOM 0 H HIS A 73 109.230 2.251 -2.964 1.00 0.00 H new ATOM 0 HA HIS A 73 111.456 0.597 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.010 3.084 -3.797 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.604 2.387 -3.586 1.00 0.00 H new ATOM 0 HD2 HIS A 73 109.630 -0.152 -3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.719 -0.231 -7.534 1.00 0.00 H new ATOM 0 HE2 HIS A 73 109.875 -1.387 -6.180 1.00 0.00 H new ATOM 1226 N VAL A 74 111.339 3.697 -0.960 1.00 0.00 N ATOM 1227 CA VAL A 74 111.908 4.568 0.109 1.00 0.00 C ATOM 1228 C VAL A 74 111.951 3.811 1.440 1.00 0.00 C ATOM 1229 O VAL A 74 112.973 3.744 2.093 1.00 0.00 O ATOM 1230 CB VAL A 74 110.949 5.759 0.194 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.105 6.453 1.550 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.269 6.750 -0.927 1.00 0.00 C ATOM 0 H VAL A 74 110.631 4.137 -1.547 1.00 0.00 H new ATOM 0 HA VAL A 74 112.929 4.881 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 74 109.923 5.405 0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.421 7.300 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.875 5.747 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.130 6.807 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.587 7.598 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.295 7.101 -0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.153 6.257 -1.892 1.00 0.00 H new ATOM 1242 N TYR A 75 110.847 3.251 1.849 1.00 0.00 N ATOM 1243 CA TYR A 75 110.823 2.504 3.139 1.00 0.00 C ATOM 1244 C TYR A 75 111.905 1.422 3.147 1.00 0.00 C ATOM 1245 O TYR A 75 112.672 1.303 4.082 1.00 0.00 O ATOM 1246 CB TYR A 75 109.432 1.875 3.206 1.00 0.00 C ATOM 1247 CG TYR A 75 109.147 1.434 4.621 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.117 2.377 5.657 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.913 0.082 4.897 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.852 1.966 6.969 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.648 -0.328 6.210 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.617 0.614 7.245 1.00 0.00 C ATOM 1253 OH TYR A 75 108.355 0.210 8.538 1.00 0.00 O ATOM 0 H TYR A 75 109.960 3.278 1.346 1.00 0.00 H new ATOM 0 HA TYR A 75 111.019 3.151 3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.680 2.593 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.374 1.023 2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.298 3.420 5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.937 -0.645 4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.829 2.692 7.768 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.468 -1.371 6.424 1.00 0.00 H new ATOM 0 HH TYR A 75 108.214 -0.760 8.556 1.00 0.00 H new ATOM 1263 N LYS A 76 111.974 0.633 2.111 1.00 0.00 N ATOM 1264 CA LYS A 76 113.008 -0.439 2.061 1.00 0.00 C ATOM 1265 C LYS A 76 114.408 0.179 2.092 1.00 0.00 C ATOM 1266 O LYS A 76 115.371 -0.460 2.470 1.00 0.00 O ATOM 1267 CB LYS A 76 112.766 -1.164 0.737 1.00 0.00 C ATOM 1268 CG LYS A 76 111.413 -1.876 0.787 1.00 0.00 C ATOM 1269 CD LYS A 76 110.869 -2.039 -0.633 1.00 0.00 C ATOM 1270 CE LYS A 76 109.348 -2.207 -0.581 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.111 -3.652 -0.856 1.00 0.00 N ATOM 0 H LYS A 76 111.360 0.684 1.298 1.00 0.00 H new ATOM 0 HA LYS A 76 112.943 -1.118 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.785 -0.452 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.562 -1.885 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.521 -2.852 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.711 -1.303 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 76 111.129 -1.169 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 76 111.325 -2.906 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 76 108.952 -1.920 0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 76 108.856 -1.578 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 108.089 -3.846 -0.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 109.492 -3.894 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.586 -4.226 -0.130 1.00 0.00 H new ATOM 1285 N ALA A 77 114.529 1.419 1.702 1.00 0.00 N ATOM 1286 CA ALA A 77 115.868 2.071 1.716 1.00 0.00 C ATOM 1287 C ALA A 77 116.210 2.529 3.134 1.00 0.00 C ATOM 1288 O ALA A 77 117.362 2.678 3.489 1.00 0.00 O ATOM 1289 CB ALA A 77 115.732 3.272 0.781 1.00 0.00 C ATOM 0 H ALA A 77 113.761 2.006 1.376 1.00 0.00 H new ATOM 0 HA ALA A 77 116.663 1.397 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.680 3.808 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.463 2.927 -0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.956 3.939 1.156 1.00 0.00 H new ATOM 1295 N MET A 78 115.215 2.746 3.950 1.00 0.00 N ATOM 1296 CA MET A 78 115.481 3.188 5.349 1.00 0.00 C ATOM 1297 C MET A 78 116.015 2.017 6.175 1.00 0.00 C ATOM 1298 O MET A 78 116.891 2.175 7.001 1.00 0.00 O ATOM 1299 CB MET A 78 114.126 3.648 5.886 1.00 0.00 C ATOM 1300 CG MET A 78 113.452 4.556 4.857 1.00 0.00 C ATOM 1301 SD MET A 78 113.057 6.146 5.626 1.00 0.00 S ATOM 1302 CE MET A 78 111.353 6.266 5.030 1.00 0.00 C ATOM 0 H MET A 78 114.230 2.637 3.709 1.00 0.00 H new ATOM 0 HA MET A 78 116.227 3.981 5.398 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.494 2.785 6.095 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.258 4.182 6.827 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.111 4.707 4.002 1.00 0.00 H new ATOM 0 HG3 MET A 78 112.544 4.086 4.480 1.00 0.00 H new ATOM 0 HE1 MET A 78 111.095 7.313 4.873 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.258 5.724 4.089 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.678 5.833 5.768 1.00 0.00 H new ATOM 1312 N THR A 79 115.495 0.839 5.957 1.00 0.00 N ATOM 1313 CA THR A 79 115.977 -0.338 6.733 1.00 0.00 C ATOM 1314 C THR A 79 117.377 -0.734 6.268 1.00 0.00 C ATOM 1315 O THR A 79 118.199 -1.164 7.049 1.00 0.00 O ATOM 1316 CB THR A 79 114.972 -1.453 6.444 1.00 0.00 C ATOM 1317 OG1 THR A 79 115.314 -2.604 7.205 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.002 -1.795 4.954 1.00 0.00 C ATOM 0 H THR A 79 114.760 0.642 5.278 1.00 0.00 H new ATOM 0 HA THR A 79 116.045 -0.129 7.801 1.00 0.00 H new ATOM 0 HB THR A 79 113.970 -1.121 6.717 1.00 0.00 H new ATOM 0 HG1 THR A 79 114.670 -3.320 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.285 -2.590 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 79 114.740 -0.911 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 79 116.002 -2.128 4.677 1.00 0.00 H new ATOM 1326 N LEU A 80 117.661 -0.578 5.006 1.00 0.00 N ATOM 1327 CA LEU A 80 119.020 -0.927 4.509 1.00 0.00 C ATOM 1328 C LEU A 80 120.029 0.066 5.082 1.00 0.00 C ATOM 1329 O LEU A 80 120.918 -0.300 5.820 1.00 0.00 O ATOM 1330 CB LEU A 80 118.939 -0.801 2.987 1.00 0.00 C ATOM 1331 CG LEU A 80 120.351 -0.721 2.406 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.179 -1.903 2.912 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.278 -0.768 0.878 1.00 0.00 C ATOM 0 H LEU A 80 117.014 -0.226 4.300 1.00 0.00 H new ATOM 0 HA LEU A 80 119.336 -1.927 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.410 -1.657 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.371 0.089 2.715 1.00 0.00 H new ATOM 0 HG LEU A 80 120.819 0.212 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.186 -1.846 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.232 -1.871 4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.710 -2.836 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.285 -0.711 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.809 -1.701 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 80 119.688 0.074 0.516 1.00 0.00 H new ATOM 1345 N MET A 81 119.886 1.322 4.761 1.00 0.00 N ATOM 1346 CA MET A 81 120.830 2.338 5.301 1.00 0.00 C ATOM 1347 C MET A 81 120.887 2.237 6.828 1.00 0.00 C ATOM 1348 O MET A 81 121.910 2.479 7.437 1.00 0.00 O ATOM 1349 CB MET A 81 120.258 3.688 4.868 1.00 0.00 C ATOM 1350 CG MET A 81 121.269 4.793 5.180 1.00 0.00 C ATOM 1351 SD MET A 81 120.447 6.121 6.095 1.00 0.00 S ATOM 1352 CE MET A 81 119.590 6.868 4.686 1.00 0.00 C ATOM 0 H MET A 81 119.157 1.688 4.149 1.00 0.00 H new ATOM 0 HA MET A 81 121.847 2.197 4.934 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.035 3.675 3.801 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.320 3.881 5.388 1.00 0.00 H new ATOM 0 HG2 MET A 81 122.095 4.390 5.766 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.695 5.183 4.255 1.00 0.00 H new ATOM 0 HE1 MET A 81 119.467 7.937 4.860 1.00 0.00 H new ATOM 0 HE2 MET A 81 120.176 6.713 3.780 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.610 6.404 4.569 1.00 0.00 H new ATOM 1362 N GLU A 82 119.799 1.871 7.450 1.00 0.00 N ATOM 1363 CA GLU A 82 119.801 1.746 8.935 1.00 0.00 C ATOM 1364 C GLU A 82 120.592 0.503 9.345 1.00 0.00 C ATOM 1365 O GLU A 82 121.228 0.465 10.379 1.00 0.00 O ATOM 1366 CB GLU A 82 118.332 1.589 9.321 1.00 0.00 C ATOM 1367 CG GLU A 82 118.207 1.554 10.846 1.00 0.00 C ATOM 1368 CD GLU A 82 117.240 0.441 11.253 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.670 -0.175 10.367 1.00 0.00 O ATOM 1370 OE2 GLU A 82 117.087 0.221 12.443 1.00 0.00 O ATOM 0 H GLU A 82 118.912 1.654 6.996 1.00 0.00 H new ATOM 0 HA GLU A 82 120.261 2.604 9.425 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.748 2.416 8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.928 0.673 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.184 1.384 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 82 117.848 2.515 11.214 1.00 0.00 H new ATOM 1377 N TYR A 83 120.548 -0.517 8.533 1.00 0.00 N ATOM 1378 CA TYR A 83 121.284 -1.767 8.852 1.00 0.00 C ATOM 1379 C TYR A 83 122.793 -1.550 8.715 1.00 0.00 C ATOM 1380 O TYR A 83 123.574 -2.051 9.498 1.00 0.00 O ATOM 1381 CB TYR A 83 120.790 -2.774 7.816 1.00 0.00 C ATOM 1382 CG TYR A 83 121.221 -4.156 8.222 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.546 -4.557 8.032 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.295 -5.035 8.789 1.00 0.00 C ATOM 1385 CE1 TYR A 83 122.949 -5.843 8.411 1.00 0.00 C ATOM 1386 CE2 TYR A 83 120.695 -6.322 9.170 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.022 -6.726 8.980 1.00 0.00 C ATOM 1388 OH TYR A 83 122.418 -7.994 9.354 1.00 0.00 O ATOM 0 H TYR A 83 120.029 -0.536 7.655 1.00 0.00 H new ATOM 0 HA TYR A 83 121.111 -2.104 9.874 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.704 -2.728 7.736 1.00 0.00 H new ATOM 0 HB3 TYR A 83 121.192 -2.529 6.833 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.259 -3.875 7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.271 -4.722 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 83 123.973 -6.154 8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 83 119.981 -7.002 9.610 1.00 0.00 H new ATOM 0 HH TYR A 83 121.654 -8.477 9.732 1.00 0.00 H new ATOM 1398 N LEU A 84 123.212 -0.806 7.727 1.00 0.00 N ATOM 1399 CA LEU A 84 124.673 -0.565 7.553 1.00 0.00 C ATOM 1400 C LEU A 84 125.179 0.349 8.672 1.00 0.00 C ATOM 1401 O LEU A 84 126.303 0.235 9.123 1.00 0.00 O ATOM 1402 CB LEU A 84 124.830 0.120 6.186 1.00 0.00 C ATOM 1403 CG LEU A 84 123.838 -0.461 5.166 1.00 0.00 C ATOM 1404 CD1 LEU A 84 124.343 -0.190 3.748 1.00 0.00 C ATOM 1405 CD2 LEU A 84 123.695 -1.974 5.368 1.00 0.00 C ATOM 0 H LEU A 84 122.610 -0.357 7.037 1.00 0.00 H new ATOM 0 HA LEU A 84 125.248 -1.490 7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 84 124.664 1.192 6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.850 -0.011 5.824 1.00 0.00 H new ATOM 0 HG LEU A 84 122.868 0.014 5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.639 -0.603 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 84 124.433 0.885 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 84 125.318 -0.659 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 84 122.990 -2.373 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 84 124.665 -2.452 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.328 -2.174 6.375 1.00 0.00 H new ATOM 1417 N ILE A 85 124.356 1.253 9.129 1.00 0.00 N ATOM 1418 CA ILE A 85 124.786 2.169 10.224 1.00 0.00 C ATOM 1419 C ILE A 85 125.117 1.364 11.483 1.00 0.00 C ATOM 1420 O ILE A 85 125.900 1.782 12.312 1.00 0.00 O ATOM 1421 CB ILE A 85 123.584 3.083 10.473 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.407 4.031 9.284 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.817 3.903 11.743 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.010 4.658 9.331 1.00 0.00 C ATOM 0 H ILE A 85 123.404 1.397 8.792 1.00 0.00 H new ATOM 0 HA ILE A 85 125.680 2.735 9.963 1.00 0.00 H new ATOM 0 HB ILE A 85 122.688 2.474 10.592 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.168 4.811 9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.541 3.487 8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 85 122.960 4.553 11.919 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.943 3.231 12.592 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.715 4.510 11.625 1.00 0.00 H new ATOM 0 HD11 ILE A 85 121.885 5.333 8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.257 3.872 9.283 1.00 0.00 H new ATOM 0 HD13 ILE A 85 121.893 5.216 10.260 1.00 0.00 H new ATOM 1436 N LYS A 86 124.522 0.212 11.633 1.00 0.00 N ATOM 1437 CA LYS A 86 124.798 -0.620 12.840 1.00 0.00 C ATOM 1438 C LYS A 86 126.006 -1.530 12.596 1.00 0.00 C ATOM 1439 O LYS A 86 127.063 -1.338 13.161 1.00 0.00 O ATOM 1440 CB LYS A 86 123.532 -1.453 13.041 1.00 0.00 C ATOM 1441 CG LYS A 86 122.934 -1.150 14.417 1.00 0.00 C ATOM 1442 CD LYS A 86 121.488 -0.678 14.250 1.00 0.00 C ATOM 1443 CE LYS A 86 121.208 0.467 15.225 1.00 0.00 C ATOM 1444 NZ LYS A 86 121.400 -0.125 16.577 1.00 0.00 N ATOM 0 H LYS A 86 123.857 -0.189 10.972 1.00 0.00 H new ATOM 0 HA LYS A 86 125.033 -0.013 13.714 1.00 0.00 H new ATOM 0 HB2 LYS A 86 122.807 -1.226 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.766 -2.515 12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 86 122.967 -2.041 15.044 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.523 -0.383 14.921 1.00 0.00 H new ATOM 0 HD2 LYS A 86 121.319 -0.347 13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 86 120.801 -1.504 14.436 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.888 1.302 15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 86 120.195 0.852 15.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.900 0.453 17.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 121.019 -1.093 16.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.415 -0.149 16.805 1.00 0.00 H new ATOM 1458 N THR A 87 125.855 -2.522 11.762 1.00 0.00 N ATOM 1459 CA THR A 87 126.995 -3.445 11.488 1.00 0.00 C ATOM 1460 C THR A 87 127.766 -2.987 10.248 1.00 0.00 C ATOM 1461 O THR A 87 128.923 -3.311 10.072 1.00 0.00 O ATOM 1462 CB THR A 87 126.349 -4.811 11.244 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.365 -5.795 11.110 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.514 -4.760 9.963 1.00 0.00 C ATOM 0 H THR A 87 124.993 -2.734 11.259 1.00 0.00 H new ATOM 0 HA THR A 87 127.709 -3.472 12.311 1.00 0.00 H new ATOM 0 HB THR A 87 125.704 -5.065 12.086 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.954 -6.671 10.955 1.00 0.00 H new ATOM 0 HG21 THR A 87 125.054 -5.733 9.789 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.736 -4.004 10.066 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.157 -4.507 9.120 1.00 0.00 H new ATOM 1472 N GLY A 88 127.136 -2.240 9.384 1.00 0.00 N ATOM 1473 CA GLY A 88 127.839 -1.767 8.158 1.00 0.00 C ATOM 1474 C GLY A 88 129.238 -1.272 8.529 1.00 0.00 C ATOM 1475 O GLY A 88 130.208 -1.998 8.437 1.00 0.00 O ATOM 0 H GLY A 88 126.166 -1.937 9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.909 -2.576 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.271 -0.965 7.687 1.00 0.00 H new ATOM 1479 N SER A 89 129.351 -0.042 8.949 1.00 0.00 N ATOM 1480 CA SER A 89 130.689 0.497 9.327 1.00 0.00 C ATOM 1481 C SER A 89 130.559 1.937 9.830 1.00 0.00 C ATOM 1482 O SER A 89 129.618 2.636 9.507 1.00 0.00 O ATOM 1483 CB SER A 89 131.510 0.454 8.040 1.00 0.00 C ATOM 1484 OG SER A 89 131.208 1.597 7.251 1.00 0.00 O ATOM 0 H SER A 89 128.575 0.613 9.047 1.00 0.00 H new ATOM 0 HA SER A 89 131.153 -0.078 10.128 1.00 0.00 H new ATOM 0 HB2 SER A 89 132.574 0.431 8.275 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.287 -0.456 7.483 1.00 0.00 H new ATOM 0 HG SER A 89 131.735 1.573 6.425 1.00 0.00 H new ATOM 1490 N GLU A 90 131.498 2.386 10.619 1.00 0.00 N ATOM 1491 CA GLU A 90 131.428 3.782 11.141 1.00 0.00 C ATOM 1492 C GLU A 90 131.296 4.773 9.983 1.00 0.00 C ATOM 1493 O GLU A 90 130.843 5.888 10.155 1.00 0.00 O ATOM 1494 CB GLU A 90 132.749 3.997 11.878 1.00 0.00 C ATOM 1495 CG GLU A 90 132.665 3.376 13.273 1.00 0.00 C ATOM 1496 CD GLU A 90 133.659 2.219 13.376 1.00 0.00 C ATOM 1497 OE1 GLU A 90 133.349 1.151 12.874 1.00 0.00 O ATOM 1498 OE2 GLU A 90 134.715 2.421 13.952 1.00 0.00 O ATOM 0 H GLU A 90 132.309 1.848 10.924 1.00 0.00 H new ATOM 0 HA GLU A 90 130.567 3.935 11.792 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.568 3.546 11.317 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.965 5.063 11.956 1.00 0.00 H new ATOM 0 HG2 GLU A 90 132.885 4.127 14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 90 131.653 3.018 13.463 1.00 0.00 H new ATOM 1505 N ARG A 91 131.687 4.377 8.804 1.00 0.00 N ATOM 1506 CA ARG A 91 131.583 5.299 7.637 1.00 0.00 C ATOM 1507 C ARG A 91 130.114 5.489 7.254 1.00 0.00 C ATOM 1508 O ARG A 91 129.665 6.589 7.007 1.00 0.00 O ATOM 1509 CB ARG A 91 132.347 4.602 6.511 1.00 0.00 C ATOM 1510 CG ARG A 91 133.722 4.166 7.021 1.00 0.00 C ATOM 1511 CD ARG A 91 134.775 4.440 5.946 1.00 0.00 C ATOM 1512 NE ARG A 91 136.079 4.131 6.596 1.00 0.00 N ATOM 1513 CZ ARG A 91 137.191 4.290 5.934 1.00 0.00 C ATOM 1514 NH1 ARG A 91 137.209 5.027 4.857 1.00 0.00 N ATOM 1515 NH2 ARG A 91 138.285 3.714 6.348 1.00 0.00 N ATOM 0 H ARG A 91 132.074 3.456 8.597 1.00 0.00 H new ATOM 0 HA ARG A 91 131.990 6.288 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.787 3.736 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.459 5.276 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.971 4.706 7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.709 3.105 7.271 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.614 3.815 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.737 5.477 5.611 1.00 0.00 H new ATOM 0 HE ARG A 91 136.102 3.795 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 91 136.353 5.478 4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 91 138.079 5.152 4.339 1.00 0.00 H new ATOM 0 HH21 ARG A 91 138.271 3.139 7.190 1.00 0.00 H new ATOM 0 HH22 ARG A 91 139.155 3.839 5.830 1.00 0.00 H new ATOM 1529 N VAL A 92 129.364 4.423 7.205 1.00 0.00 N ATOM 1530 CA VAL A 92 127.925 4.542 6.842 1.00 0.00 C ATOM 1531 C VAL A 92 127.242 5.574 7.744 1.00 0.00 C ATOM 1532 O VAL A 92 126.403 6.336 7.306 1.00 0.00 O ATOM 1533 CB VAL A 92 127.344 3.146 7.076 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.817 3.200 6.981 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.885 2.186 6.012 1.00 0.00 C ATOM 0 H VAL A 92 129.686 3.475 7.401 1.00 0.00 H new ATOM 0 HA VAL A 92 127.778 4.874 5.814 1.00 0.00 H new ATOM 0 HB VAL A 92 127.632 2.796 8.067 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.407 2.204 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.429 3.884 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.526 3.551 5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.473 1.191 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.596 2.540 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.972 2.144 6.079 1.00 0.00 H new ATOM 1545 N SER A 93 127.597 5.605 8.999 1.00 0.00 N ATOM 1546 CA SER A 93 126.969 6.591 9.925 1.00 0.00 C ATOM 1547 C SER A 93 127.459 8.003 9.596 1.00 0.00 C ATOM 1548 O SER A 93 126.698 8.950 9.599 1.00 0.00 O ATOM 1549 CB SER A 93 127.430 6.173 11.321 1.00 0.00 C ATOM 1550 OG SER A 93 126.941 4.869 11.606 1.00 0.00 O ATOM 0 H SER A 93 128.293 4.992 9.423 1.00 0.00 H new ATOM 0 HA SER A 93 125.882 6.604 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 93 128.519 6.186 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 93 127.065 6.881 12.065 1.00 0.00 H new ATOM 0 HG SER A 93 127.236 4.597 12.500 1.00 0.00 H new ATOM 1556 N GLN A 94 128.724 8.150 9.307 1.00 0.00 N ATOM 1557 CA GLN A 94 129.257 9.502 8.975 1.00 0.00 C ATOM 1558 C GLN A 94 128.488 10.091 7.793 1.00 0.00 C ATOM 1559 O GLN A 94 127.947 11.176 7.869 1.00 0.00 O ATOM 1560 CB GLN A 94 130.722 9.268 8.602 1.00 0.00 C ATOM 1561 CG GLN A 94 131.565 9.194 9.876 1.00 0.00 C ATOM 1562 CD GLN A 94 131.458 10.517 10.637 1.00 0.00 C ATOM 1563 OE1 GLN A 94 130.914 11.480 10.132 1.00 0.00 O ATOM 1564 NE2 GLN A 94 131.957 10.607 11.840 1.00 0.00 N ATOM 0 H GLN A 94 129.409 7.395 9.287 1.00 0.00 H new ATOM 0 HA GLN A 94 129.156 10.204 9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.821 8.343 8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.079 10.075 7.963 1.00 0.00 H new ATOM 0 HG2 GLN A 94 131.222 8.372 10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.606 8.990 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.414 9.800 12.264 1.00 0.00 H new ATOM 0 HE22 GLN A 94 131.890 11.485 12.355 1.00 0.00 H new ATOM 1573 N GLN A 95 128.433 9.380 6.704 1.00 0.00 N ATOM 1574 CA GLN A 95 127.693 9.893 5.516 1.00 0.00 C ATOM 1575 C GLN A 95 126.248 10.217 5.903 1.00 0.00 C ATOM 1576 O GLN A 95 125.670 11.175 5.432 1.00 0.00 O ATOM 1577 CB GLN A 95 127.736 8.754 4.498 1.00 0.00 C ATOM 1578 CG GLN A 95 127.062 9.203 3.200 1.00 0.00 C ATOM 1579 CD GLN A 95 128.079 9.937 2.324 1.00 0.00 C ATOM 1580 OE1 GLN A 95 129.159 9.438 2.078 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.778 11.111 1.840 1.00 0.00 N ATOM 0 H GLN A 95 128.868 8.465 6.583 1.00 0.00 H new ATOM 0 HA GLN A 95 128.130 10.808 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.769 8.465 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.230 7.875 4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.663 8.340 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.219 9.857 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 95 126.871 11.530 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 95 128.449 11.609 1.256 1.00 0.00 H new ATOM 1590 N CYS A 96 125.664 9.428 6.764 1.00 0.00 N ATOM 1591 CA CYS A 96 124.261 9.697 7.184 1.00 0.00 C ATOM 1592 C CYS A 96 124.173 11.077 7.837 1.00 0.00 C ATOM 1593 O CYS A 96 123.206 11.794 7.676 1.00 0.00 O ATOM 1594 CB CYS A 96 123.929 8.598 8.195 1.00 0.00 C ATOM 1595 SG CYS A 96 123.328 7.133 7.318 1.00 0.00 S ATOM 0 H CYS A 96 126.098 8.611 7.193 1.00 0.00 H new ATOM 0 HA CYS A 96 123.566 9.694 6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.814 8.347 8.780 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.173 8.951 8.897 1.00 0.00 H new ATOM 0 HG CYS A 96 122.043 7.228 7.143 1.00 0.00 H new ATOM 1601 N LYS A 97 125.184 11.455 8.568 1.00 0.00 N ATOM 1602 CA LYS A 97 125.171 12.792 9.227 1.00 0.00 C ATOM 1603 C LYS A 97 125.431 13.882 8.186 1.00 0.00 C ATOM 1604 O LYS A 97 124.937 14.987 8.288 1.00 0.00 O ATOM 1605 CB LYS A 97 126.310 12.742 10.248 1.00 0.00 C ATOM 1606 CG LYS A 97 126.175 13.912 11.224 1.00 0.00 C ATOM 1607 CD LYS A 97 126.901 13.574 12.528 1.00 0.00 C ATOM 1608 CE LYS A 97 127.953 14.646 12.820 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.967 14.775 14.303 1.00 0.00 N ATOM 0 H LYS A 97 126.020 10.896 8.738 1.00 0.00 H new ATOM 0 HA LYS A 97 124.215 13.017 9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.284 11.797 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.272 12.790 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 97 126.596 14.816 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.123 14.114 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 97 126.187 13.517 13.350 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.375 12.596 12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 97 128.932 14.353 12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 97 127.696 15.592 12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 128.665 15.493 14.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 127.024 15.061 14.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 128.221 13.861 14.729 1.00 0.00 H new ATOM 1623 N GLU A 98 126.203 13.571 7.181 1.00 0.00 N ATOM 1624 CA GLU A 98 126.499 14.577 6.124 1.00 0.00 C ATOM 1625 C GLU A 98 125.344 14.639 5.121 1.00 0.00 C ATOM 1626 O GLU A 98 125.237 15.559 4.335 1.00 0.00 O ATOM 1627 CB GLU A 98 127.772 14.070 5.447 1.00 0.00 C ATOM 1628 CG GLU A 98 128.868 13.882 6.498 1.00 0.00 C ATOM 1629 CD GLU A 98 130.175 13.485 5.809 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.172 13.375 4.594 1.00 0.00 O ATOM 1631 OE2 GLU A 98 131.157 13.297 6.509 1.00 0.00 O ATOM 0 H GLU A 98 126.643 12.660 7.047 1.00 0.00 H new ATOM 0 HA GLU A 98 126.624 15.582 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.575 13.126 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.100 14.779 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 98 129.008 14.804 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 98 128.573 13.113 7.212 1.00 0.00 H new ATOM 1638 N ASN A 99 124.477 13.664 5.145 1.00 0.00 N ATOM 1639 CA ASN A 99 123.328 13.661 4.200 1.00 0.00 C ATOM 1640 C ASN A 99 122.009 13.588 4.973 1.00 0.00 C ATOM 1641 O ASN A 99 121.045 13.007 4.519 1.00 0.00 O ATOM 1642 CB ASN A 99 123.520 12.407 3.347 1.00 0.00 C ATOM 1643 CG ASN A 99 124.156 12.789 2.009 1.00 0.00 C ATOM 1644 OD1 ASN A 99 124.163 13.944 1.633 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.695 11.859 1.268 1.00 0.00 N ATOM 0 H ASN A 99 124.516 12.868 5.781 1.00 0.00 H new ATOM 0 HA ASN A 99 123.290 14.565 3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.154 11.692 3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.560 11.919 3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 99 125.122 12.103 0.374 1.00 0.00 H new ATOM 0 HD22 ASN A 99 124.690 10.889 1.583 1.00 0.00 H new ATOM 1652 N MET A 100 121.962 14.172 6.139 1.00 0.00 N ATOM 1653 CA MET A 100 120.704 14.134 6.940 1.00 0.00 C ATOM 1654 C MET A 100 119.553 14.753 6.143 1.00 0.00 C ATOM 1655 O MET A 100 118.398 14.453 6.368 1.00 0.00 O ATOM 1656 CB MET A 100 121.003 14.967 8.187 1.00 0.00 C ATOM 1657 CG MET A 100 120.584 14.186 9.434 1.00 0.00 C ATOM 1658 SD MET A 100 120.191 15.344 10.769 1.00 0.00 S ATOM 1659 CE MET A 100 121.789 16.194 10.808 1.00 0.00 C ATOM 0 H MET A 100 122.738 14.673 6.572 1.00 0.00 H new ATOM 0 HA MET A 100 120.405 13.117 7.193 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.066 15.204 8.233 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.467 15.915 8.141 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.717 13.563 9.212 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.387 13.517 9.744 1.00 0.00 H new ATOM 0 HE1 MET A 100 121.917 16.683 11.774 1.00 0.00 H new ATOM 0 HE2 MET A 100 122.590 15.470 10.659 1.00 0.00 H new ATOM 0 HE3 MET A 100 121.823 16.941 10.015 1.00 0.00 H new ATOM 1669 N TYR A 101 119.859 15.615 5.213 1.00 0.00 N ATOM 1670 CA TYR A 101 118.781 16.252 4.403 1.00 0.00 C ATOM 1671 C TYR A 101 118.131 15.214 3.482 1.00 0.00 C ATOM 1672 O TYR A 101 116.958 15.287 3.178 1.00 0.00 O ATOM 1673 CB TYR A 101 119.485 17.333 3.582 1.00 0.00 C ATOM 1674 CG TYR A 101 120.416 18.119 4.474 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.927 18.720 5.640 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.769 18.249 4.136 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.789 19.449 6.468 1.00 0.00 C ATOM 1678 CE2 TYR A 101 122.631 18.978 4.964 1.00 0.00 C ATOM 1679 CZ TYR A 101 122.141 19.578 6.129 1.00 0.00 C ATOM 1680 OH TYR A 101 122.991 20.298 6.945 1.00 0.00 O ATOM 0 H TYR A 101 120.808 15.906 4.979 1.00 0.00 H new ATOM 0 HA TYR A 101 117.988 16.667 5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.045 16.877 2.766 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.749 17.998 3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.884 18.621 5.901 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.147 17.787 3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 101 120.411 19.912 7.368 1.00 0.00 H new ATOM 0 HE2 TYR A 101 123.674 19.077 4.703 1.00 0.00 H new ATOM 0 HH TYR A 101 123.895 20.288 6.566 1.00 0.00 H new ATOM 1690 N ALA A 102 118.890 14.251 3.040 1.00 0.00 N ATOM 1691 CA ALA A 102 118.323 13.205 2.140 1.00 0.00 C ATOM 1692 C ALA A 102 117.459 12.230 2.940 1.00 0.00 C ATOM 1693 O ALA A 102 116.412 11.802 2.497 1.00 0.00 O ATOM 1694 CB ALA A 102 119.538 12.485 1.557 1.00 0.00 C ATOM 0 H ALA A 102 119.879 14.142 3.262 1.00 0.00 H new ATOM 0 HA ALA A 102 117.687 13.630 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.205 11.697 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.154 13.197 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 102 120.123 12.046 2.365 1.00 0.00 H new ATOM 1700 N VAL A 103 117.894 11.876 4.115 1.00 0.00 N ATOM 1701 CA VAL A 103 117.101 10.927 4.948 1.00 0.00 C ATOM 1702 C VAL A 103 115.842 11.617 5.479 1.00 0.00 C ATOM 1703 O VAL A 103 114.811 10.998 5.660 1.00 0.00 O ATOM 1704 CB VAL A 103 118.025 10.541 6.105 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.486 9.281 6.785 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.432 10.267 5.570 1.00 0.00 C ATOM 0 H VAL A 103 118.764 12.202 4.536 1.00 0.00 H new ATOM 0 HA VAL A 103 116.774 10.056 4.380 1.00 0.00 H new ATOM 0 HB VAL A 103 118.065 11.358 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 103 118.142 9.004 7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.484 9.475 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.447 8.466 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 103 120.088 9.992 6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.395 9.450 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.817 11.163 5.083 1.00 0.00 H new ATOM 1716 N GLN A 104 115.919 12.895 5.734 1.00 0.00 N ATOM 1717 CA GLN A 104 114.731 13.624 6.258 1.00 0.00 C ATOM 1718 C GLN A 104 113.838 14.094 5.105 1.00 0.00 C ATOM 1719 O GLN A 104 112.658 14.322 5.278 1.00 0.00 O ATOM 1720 CB GLN A 104 115.305 14.821 7.014 1.00 0.00 C ATOM 1721 CG GLN A 104 115.869 14.356 8.358 1.00 0.00 C ATOM 1722 CD GLN A 104 116.404 15.562 9.132 1.00 0.00 C ATOM 1723 OE1 GLN A 104 117.386 16.160 8.744 1.00 0.00 O ATOM 1724 NE2 GLN A 104 115.793 15.946 10.220 1.00 0.00 N ATOM 0 H GLN A 104 116.754 13.465 5.602 1.00 0.00 H new ATOM 0 HA GLN A 104 114.112 12.994 6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.089 15.295 6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.529 15.570 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.093 13.855 8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.666 13.630 8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.968 15.443 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 104 116.141 16.749 10.744 1.00 0.00 H new ATOM 1733 N THR A 105 114.388 14.242 3.930 1.00 0.00 N ATOM 1734 CA THR A 105 113.562 14.698 2.776 1.00 0.00 C ATOM 1735 C THR A 105 112.307 13.830 2.655 1.00 0.00 C ATOM 1736 O THR A 105 111.294 14.253 2.133 1.00 0.00 O ATOM 1737 CB THR A 105 114.456 14.523 1.547 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.888 15.221 0.448 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.571 13.038 1.204 1.00 0.00 C ATOM 0 H THR A 105 115.371 14.067 3.720 1.00 0.00 H new ATOM 0 HA THR A 105 113.229 15.730 2.889 1.00 0.00 H new ATOM 0 HB THR A 105 115.448 14.922 1.759 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.460 15.111 -0.340 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.208 12.915 0.328 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.006 12.502 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.580 12.636 0.991 1.00 0.00 H new ATOM 1747 N LEU A 106 112.367 12.618 3.136 1.00 0.00 N ATOM 1748 CA LEU A 106 111.179 11.722 3.050 1.00 0.00 C ATOM 1749 C LEU A 106 110.014 12.317 3.843 1.00 0.00 C ATOM 1750 O LEU A 106 108.884 12.323 3.394 1.00 0.00 O ATOM 1751 CB LEU A 106 111.636 10.401 3.667 1.00 0.00 C ATOM 1752 CG LEU A 106 112.678 9.749 2.758 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.054 8.374 3.313 1.00 0.00 C ATOM 1754 CD2 LEU A 106 112.094 9.590 1.353 1.00 0.00 C ATOM 0 H LEU A 106 113.187 12.210 3.585 1.00 0.00 H new ATOM 0 HA LEU A 106 110.829 11.591 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.059 10.576 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 106 110.784 9.734 3.798 1.00 0.00 H new ATOM 0 HG LEU A 106 113.568 10.377 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.797 7.910 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.468 8.487 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.166 7.744 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.834 9.125 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.205 8.962 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.827 10.570 0.957 1.00 0.00 H new ATOM 1766 N LYS A 107 110.277 12.820 5.018 1.00 0.00 N ATOM 1767 CA LYS A 107 109.181 13.417 5.835 1.00 0.00 C ATOM 1768 C LYS A 107 108.287 14.289 4.952 1.00 0.00 C ATOM 1769 O LYS A 107 107.086 14.343 5.126 1.00 0.00 O ATOM 1770 CB LYS A 107 109.886 14.269 6.889 1.00 0.00 C ATOM 1771 CG LYS A 107 110.895 13.410 7.652 1.00 0.00 C ATOM 1772 CD LYS A 107 111.190 14.055 9.008 1.00 0.00 C ATOM 1773 CE LYS A 107 112.134 13.155 9.808 1.00 0.00 C ATOM 1774 NZ LYS A 107 112.780 14.060 10.799 1.00 0.00 N ATOM 0 H LYS A 107 111.202 12.844 5.448 1.00 0.00 H new ATOM 0 HA LYS A 107 108.543 12.658 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 107 110.394 15.108 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 107 109.155 14.689 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 107 110.499 12.404 7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 107 111.815 13.312 7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 107 111.641 15.037 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 107 110.262 14.208 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 107 111.588 12.352 10.304 1.00 0.00 H new ATOM 0 HE3 LYS A 107 112.875 12.685 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 113.640 13.610 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 113.031 14.958 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 112.120 14.246 11.581 1.00 0.00 H new ATOM 1987 N VAL A 121 102.614 6.901 4.611 1.00 0.00 N ATOM 1988 CA VAL A 121 103.177 7.502 5.853 1.00 0.00 C ATOM 1989 C VAL A 121 104.321 6.637 6.382 1.00 0.00 C ATOM 1990 O VAL A 121 105.338 7.134 6.823 1.00 0.00 O ATOM 1991 CB VAL A 121 102.013 7.517 6.843 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.807 6.119 7.431 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.321 8.505 7.970 1.00 0.00 C ATOM 0 HA VAL A 121 103.584 8.499 5.686 1.00 0.00 H new ATOM 0 HB VAL A 121 101.104 7.821 6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 121 100.975 6.139 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.585 5.416 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.713 5.805 7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.493 8.519 8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.233 8.199 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.457 9.502 7.552 1.00 0.00 H new ATOM 2003 N ASN A 122 104.144 5.344 6.341 1.00 0.00 N ATOM 2004 CA ASN A 122 105.202 4.412 6.838 1.00 0.00 C ATOM 2005 C ASN A 122 106.596 4.959 6.516 1.00 0.00 C ATOM 2006 O ASN A 122 107.545 4.723 7.236 1.00 0.00 O ATOM 2007 CB ASN A 122 104.954 3.103 6.089 1.00 0.00 C ATOM 2008 CG ASN A 122 105.132 1.926 7.049 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.543 1.898 8.112 1.00 0.00 O ATOM 2010 ND2 ASN A 122 105.924 0.944 6.717 1.00 0.00 N ATOM 0 H ASN A 122 103.305 4.888 5.982 1.00 0.00 H new ATOM 0 HA ASN A 122 105.160 4.282 7.919 1.00 0.00 H new ATOM 0 HB2 ASN A 122 103.948 3.096 5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.648 3.013 5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 122 106.049 0.153 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 122 106.419 0.967 5.825 1.00 0.00 H new ATOM 2017 N VAL A 123 106.724 5.691 5.445 1.00 0.00 N ATOM 2018 CA VAL A 123 108.055 6.258 5.083 1.00 0.00 C ATOM 2019 C VAL A 123 108.351 7.485 5.952 1.00 0.00 C ATOM 2020 O VAL A 123 109.336 7.535 6.656 1.00 0.00 O ATOM 2021 CB VAL A 123 107.926 6.650 3.607 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.974 7.709 3.254 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.143 5.413 2.734 1.00 0.00 C ATOM 0 H VAL A 123 105.965 5.922 4.804 1.00 0.00 H new ATOM 0 HA VAL A 123 108.871 5.553 5.243 1.00 0.00 H new ATOM 0 HB VAL A 123 106.931 7.058 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.876 7.982 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.822 8.592 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.971 7.307 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.052 5.689 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.138 5.008 2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.394 4.660 2.978 1.00 0.00 H new ATOM 2033 N ARG A 124 107.507 8.474 5.901 1.00 0.00 N ATOM 2034 CA ARG A 124 107.735 9.703 6.716 1.00 0.00 C ATOM 2035 C ARG A 124 108.215 9.346 8.128 1.00 0.00 C ATOM 2036 O ARG A 124 109.152 9.925 8.641 1.00 0.00 O ATOM 2037 CB ARG A 124 106.369 10.386 6.783 1.00 0.00 C ATOM 2038 CG ARG A 124 106.215 11.348 5.605 1.00 0.00 C ATOM 2039 CD ARG A 124 105.120 12.370 5.922 1.00 0.00 C ATOM 2040 NE ARG A 124 105.498 12.938 7.246 1.00 0.00 N ATOM 2041 CZ ARG A 124 104.740 12.725 8.287 1.00 0.00 C ATOM 2042 NH1 ARG A 124 103.494 13.112 8.276 1.00 0.00 N ATOM 2043 NH2 ARG A 124 105.229 12.127 9.339 1.00 0.00 N ATOM 0 H ARG A 124 106.664 8.487 5.328 1.00 0.00 H new ATOM 0 HA ARG A 124 108.503 10.341 6.278 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.576 9.638 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.269 10.928 7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.159 11.858 5.412 1.00 0.00 H new ATOM 0 HG3 ARG A 124 105.961 10.795 4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.071 13.146 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.138 11.898 5.960 1.00 0.00 H new ATOM 0 HE ARG A 124 106.349 13.493 7.339 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.113 13.581 7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 124 102.901 12.946 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 124 106.204 11.826 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 124 104.637 11.961 10.152 1.00 0.00 H new ATOM 2057 N GLU A 125 107.562 8.417 8.764 1.00 0.00 N ATOM 2058 CA GLU A 125 107.958 8.039 10.155 1.00 0.00 C ATOM 2059 C GLU A 125 109.275 7.254 10.175 1.00 0.00 C ATOM 2060 O GLU A 125 110.167 7.549 10.947 1.00 0.00 O ATOM 2061 CB GLU A 125 106.811 7.168 10.665 1.00 0.00 C ATOM 2062 CG GLU A 125 105.529 7.999 10.735 1.00 0.00 C ATOM 2063 CD GLU A 125 104.797 7.700 12.045 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.877 6.571 12.500 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.170 8.604 12.570 1.00 0.00 O ATOM 0 H GLU A 125 106.769 7.900 8.384 1.00 0.00 H new ATOM 0 HA GLU A 125 108.124 8.920 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.667 6.314 10.003 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.053 6.770 11.651 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.768 9.061 10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 125 104.886 7.767 9.886 1.00 0.00 H new ATOM 2072 N LYS A 126 109.409 6.252 9.349 1.00 0.00 N ATOM 2073 CA LYS A 126 110.670 5.456 9.352 1.00 0.00 C ATOM 2074 C LYS A 126 111.878 6.383 9.223 1.00 0.00 C ATOM 2075 O LYS A 126 112.793 6.347 10.021 1.00 0.00 O ATOM 2076 CB LYS A 126 110.566 4.537 8.134 1.00 0.00 C ATOM 2077 CG LYS A 126 111.148 3.164 8.482 1.00 0.00 C ATOM 2078 CD LYS A 126 112.578 3.331 8.999 1.00 0.00 C ATOM 2079 CE LYS A 126 112.565 3.410 10.528 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.882 2.860 10.953 1.00 0.00 N ATOM 0 H LYS A 126 108.704 5.951 8.676 1.00 0.00 H new ATOM 0 HA LYS A 126 110.799 4.892 10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.525 4.436 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 126 111.105 4.970 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.532 2.677 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 126 111.141 2.521 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 126 113.194 2.492 8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 126 113.023 4.234 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.438 4.437 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 126 111.742 2.831 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 114.050 3.094 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 113.881 1.827 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 114.636 3.275 10.369 1.00 0.00 H new ATOM 2094 N ALA A 127 111.885 7.215 8.222 1.00 0.00 N ATOM 2095 CA ALA A 127 113.028 8.150 8.032 1.00 0.00 C ATOM 2096 C ALA A 127 113.294 8.927 9.324 1.00 0.00 C ATOM 2097 O ALA A 127 114.426 9.104 9.731 1.00 0.00 O ATOM 2098 CB ALA A 127 112.580 9.097 6.919 1.00 0.00 C ATOM 0 H ALA A 127 111.145 7.289 7.524 1.00 0.00 H new ATOM 0 HA ALA A 127 113.952 7.630 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.370 9.821 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.373 8.524 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.677 9.622 7.230 1.00 0.00 H new ATOM 2104 N LYS A 128 112.261 9.393 9.973 1.00 0.00 N ATOM 2105 CA LYS A 128 112.459 10.159 11.238 1.00 0.00 C ATOM 2106 C LYS A 128 113.276 9.335 12.238 1.00 0.00 C ATOM 2107 O LYS A 128 114.086 9.861 12.974 1.00 0.00 O ATOM 2108 CB LYS A 128 111.051 10.410 11.776 1.00 0.00 C ATOM 2109 CG LYS A 128 111.117 11.406 12.936 1.00 0.00 C ATOM 2110 CD LYS A 128 110.752 10.697 14.241 1.00 0.00 C ATOM 2111 CE LYS A 128 109.252 10.402 14.262 1.00 0.00 C ATOM 2112 NZ LYS A 128 108.609 11.707 14.582 1.00 0.00 N ATOM 0 H LYS A 128 111.290 9.277 9.683 1.00 0.00 H new ATOM 0 HA LYS A 128 113.005 11.088 11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.412 10.800 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.606 9.473 12.112 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.119 11.830 13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.432 12.235 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 128 111.317 9.769 14.333 1.00 0.00 H new ATOM 0 HD3 LYS A 128 111.022 11.320 15.093 1.00 0.00 H new ATOM 0 HE2 LYS A 128 108.911 10.019 13.300 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.008 9.648 15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 108.093 11.628 15.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 109.339 12.443 14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 107.945 11.962 13.823 1.00 0.00 H new ATOM 2126 N GLN A 129 113.069 8.045 12.272 1.00 0.00 N ATOM 2127 CA GLN A 129 113.836 7.195 13.227 1.00 0.00 C ATOM 2128 C GLN A 129 115.269 6.995 12.727 1.00 0.00 C ATOM 2129 O GLN A 129 116.224 7.315 13.406 1.00 0.00 O ATOM 2130 CB GLN A 129 113.087 5.862 13.263 1.00 0.00 C ATOM 2131 CG GLN A 129 113.103 5.306 14.688 1.00 0.00 C ATOM 2132 CD GLN A 129 113.613 3.864 14.670 1.00 0.00 C ATOM 2133 OE1 GLN A 129 114.477 3.522 13.886 1.00 0.00 O ATOM 2134 NE2 GLN A 129 113.113 2.997 15.507 1.00 0.00 N ATOM 0 H GLN A 129 112.404 7.545 11.682 1.00 0.00 H new ATOM 0 HA GLN A 129 113.907 7.648 14.216 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.059 6.001 12.927 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.553 5.152 12.579 1.00 0.00 H new ATOM 0 HG2 GLN A 129 113.742 5.921 15.322 1.00 0.00 H new ATOM 0 HG3 GLN A 129 112.101 5.343 15.115 1.00 0.00 H new ATOM 0 HE21 GLN A 129 112.388 3.283 16.165 1.00 0.00 H new ATOM 0 HE22 GLN A 129 113.447 2.033 15.503 1.00 0.00 H new ATOM 2143 N LEU A 130 115.427 6.466 11.544 1.00 0.00 N ATOM 2144 CA LEU A 130 116.801 6.247 11.004 1.00 0.00 C ATOM 2145 C LEU A 130 117.651 7.504 11.207 1.00 0.00 C ATOM 2146 O LEU A 130 118.862 7.438 11.286 1.00 0.00 O ATOM 2147 CB LEU A 130 116.600 5.963 9.514 1.00 0.00 C ATOM 2148 CG LEU A 130 117.953 5.697 8.847 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.786 4.756 9.721 1.00 0.00 C ATOM 2150 CD2 LEU A 130 117.726 5.048 7.480 1.00 0.00 C ATOM 0 H LEU A 130 114.667 6.176 10.929 1.00 0.00 H new ATOM 0 HA LEU A 130 117.320 5.430 11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 130 115.945 5.101 9.384 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.110 6.811 9.036 1.00 0.00 H new ATOM 0 HG LEU A 130 118.485 6.641 8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.747 4.570 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.949 5.214 10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 130 118.255 3.812 9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 130 118.688 4.858 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.192 4.106 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.136 5.717 6.853 1.00 0.00 H new ATOM 2162 N VAL A 131 117.029 8.647 11.296 1.00 0.00 N ATOM 2163 CA VAL A 131 117.805 9.903 11.497 1.00 0.00 C ATOM 2164 C VAL A 131 118.051 10.138 12.990 1.00 0.00 C ATOM 2165 O VAL A 131 119.093 10.616 13.390 1.00 0.00 O ATOM 2166 CB VAL A 131 116.926 11.013 10.918 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.438 12.372 11.398 1.00 0.00 C ATOM 2168 CG2 VAL A 131 116.980 10.963 9.390 1.00 0.00 C ATOM 0 H VAL A 131 116.018 8.766 11.238 1.00 0.00 H new ATOM 0 HA VAL A 131 118.782 9.865 11.015 1.00 0.00 H new ATOM 0 HB VAL A 131 115.898 10.871 11.252 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.812 13.163 10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.401 12.411 12.487 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.466 12.512 11.064 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.354 11.754 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.008 11.104 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.617 9.995 9.045 1.00 0.00 H new ATOM 2178 N ALA A 132 117.098 9.803 13.818 1.00 0.00 N ATOM 2179 CA ALA A 132 117.277 10.006 15.285 1.00 0.00 C ATOM 2180 C ALA A 132 118.408 9.117 15.808 1.00 0.00 C ATOM 2181 O ALA A 132 119.394 9.595 16.333 1.00 0.00 O ATOM 2182 CB ALA A 132 115.942 9.596 15.906 1.00 0.00 C ATOM 0 H ALA A 132 116.204 9.398 13.542 1.00 0.00 H new ATOM 0 HA ALA A 132 117.543 11.034 15.531 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.992 9.717 16.988 1.00 0.00 H new ATOM 0 HB2 ALA A 132 115.147 10.225 15.507 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.734 8.553 15.667 1.00 0.00 H new ATOM 2188 N LEU A 133 118.274 7.825 15.671 1.00 0.00 N ATOM 2189 CA LEU A 133 119.342 6.908 16.162 1.00 0.00 C ATOM 2190 C LEU A 133 120.704 7.351 15.621 1.00 0.00 C ATOM 2191 O LEU A 133 121.729 7.129 16.234 1.00 0.00 O ATOM 2192 CB LEU A 133 118.968 5.531 15.611 1.00 0.00 C ATOM 2193 CG LEU A 133 118.626 4.592 16.770 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.220 4.904 17.281 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.680 3.142 16.283 1.00 0.00 C ATOM 0 H LEU A 133 117.472 7.366 15.241 1.00 0.00 H new ATOM 0 HA LEU A 133 119.416 6.904 17.249 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.117 5.617 14.936 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.796 5.123 15.031 1.00 0.00 H new ATOM 0 HG LEU A 133 119.346 4.733 17.576 1.00 0.00 H new ATOM 0 HD11 LEU A 133 116.976 4.235 18.107 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.179 5.937 17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 133 116.500 4.763 16.475 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.437 2.472 17.108 1.00 0.00 H new ATOM 0 HD22 LEU A 133 117.960 3.002 15.477 1.00 0.00 H new ATOM 0 HD23 LEU A 133 119.682 2.918 15.917 1.00 0.00 H new ATOM 2207 N LEU A 134 120.721 7.979 14.478 1.00 0.00 N ATOM 2208 CA LEU A 134 122.015 8.438 13.898 1.00 0.00 C ATOM 2209 C LEU A 134 122.621 9.545 14.764 1.00 0.00 C ATOM 2210 O LEU A 134 123.729 9.431 15.250 1.00 0.00 O ATOM 2211 CB LEU A 134 121.657 8.980 12.512 1.00 0.00 C ATOM 2212 CG LEU A 134 122.150 8.007 11.439 1.00 0.00 C ATOM 2213 CD1 LEU A 134 123.633 7.709 11.662 1.00 0.00 C ATOM 2214 CD2 LEU A 134 121.349 6.706 11.527 1.00 0.00 C ATOM 0 H LEU A 134 119.895 8.194 13.920 1.00 0.00 H new ATOM 0 HA LEU A 134 122.751 7.636 13.846 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.578 9.113 12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.111 9.960 12.365 1.00 0.00 H new ATOM 0 HG LEU A 134 122.015 8.453 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 134 123.984 7.016 10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 134 124.204 8.636 11.601 1.00 0.00 H new ATOM 0 HD13 LEU A 134 123.770 7.263 12.647 1.00 0.00 H new ATOM 0 HD21 LEU A 134 121.699 6.011 10.763 1.00 0.00 H new ATOM 0 HD22 LEU A 134 121.485 6.261 12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 134 120.292 6.918 11.368 1.00 0.00 H new