USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 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 75 TYR OH : rot 63:sc= 0.408 USER MOD Set 1.2: A 122 ASN : amide:sc= 0.378 K(o=0.79,f=0.01) USER MOD Set 2.1: A 57 MET CE :methyl -173:sc= -2.97 (180deg=-3.35) USER MOD Set 2.2: A 81 MET CE :methyl 146:sc= -5.42! (180deg=-5.53!) USER MOD Set 2.3: A 95 GLN : amide:sc= -0.599 K(o=-14,f=-18!) USER MOD Set 2.4: A 96 CYS SG : rot -25:sc= -4.62! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -76:sc= -0.587 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -73:sc= 0.149 USER MOD Single : A 48 TYR OH : rot 100:sc= 0.718 USER MOD Single : A 49 ASN : amide:sc= -0.0985 K(o=-0.098,f=-2.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 108:sc= 0.909 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.00866 X(o=0.0087,f=-0.076) USER MOD Single : A 73 HIS : no HD1:sc= -1.04 K(o=-1,f=0.049) USER MOD Single : A 76 LYS NZ :NH3+ -157:sc= -0.0127 (180deg=-0.678) USER MOD Single : A 78 MET CE :methyl -148:sc= -7.13! (180deg=-10.7!) USER MOD Single : A 79 THR OG1 : rot 116:sc= 0.879 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -160:sc= -0.0101 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.972 X(o=-0.97,f=-1.4!) USER MOD Single : A 100 MET CE :methyl -150:sc= -0.0333 (180deg=-1.03) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -4.44! C(o=-4.4!,f=-9.9!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -149:sc= -0.317 (180deg=-1.94!) USER MOD Single : A 129 GLN : amide:sc= -0.917 K(o=-0.92,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.789 -6.773 -5.805 1.00 0.00 N ATOM 356 CA GLU A 19 128.354 -6.815 -6.209 1.00 0.00 C ATOM 357 C GLU A 19 127.494 -6.083 -5.175 1.00 0.00 C ATOM 358 O GLU A 19 126.354 -6.433 -4.943 1.00 0.00 O ATOM 359 CB GLU A 19 127.996 -8.301 -6.247 1.00 0.00 C ATOM 360 CG GLU A 19 128.267 -8.857 -7.646 1.00 0.00 C ATOM 361 CD GLU A 19 128.107 -10.379 -7.630 1.00 0.00 C ATOM 362 OE1 GLU A 19 128.056 -10.937 -6.546 1.00 0.00 O ATOM 363 OE2 GLU A 19 128.036 -10.959 -8.700 1.00 0.00 O ATOM 0 HA GLU A 19 128.181 -6.330 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 19 128.583 -8.846 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 19 126.947 -8.440 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 19 127.576 -8.416 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.274 -8.590 -7.966 1.00 0.00 H new ATOM 370 N ALA A 20 128.031 -5.070 -4.553 1.00 0.00 N ATOM 371 CA ALA A 20 127.243 -4.317 -3.534 1.00 0.00 C ATOM 372 C ALA A 20 126.078 -3.582 -4.203 1.00 0.00 C ATOM 373 O ALA A 20 124.931 -3.765 -3.848 1.00 0.00 O ATOM 374 CB ALA A 20 128.229 -3.320 -2.928 1.00 0.00 C ATOM 0 H ALA A 20 128.981 -4.730 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 20 126.812 -4.973 -2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.724 -2.726 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.060 -3.860 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.608 -2.662 -3.710 1.00 0.00 H new ATOM 380 N GLU A 21 126.365 -2.751 -5.168 1.00 0.00 N ATOM 381 CA GLU A 21 125.273 -2.005 -5.857 1.00 0.00 C ATOM 382 C GLU A 21 124.091 -2.936 -6.135 1.00 0.00 C ATOM 383 O GLU A 21 122.953 -2.514 -6.180 1.00 0.00 O ATOM 384 CB GLU A 21 125.893 -1.516 -7.167 1.00 0.00 C ATOM 385 CG GLU A 21 126.116 -2.707 -8.101 1.00 0.00 C ATOM 386 CD GLU A 21 127.068 -2.300 -9.228 1.00 0.00 C ATOM 387 OE1 GLU A 21 127.052 -1.139 -9.600 1.00 0.00 O ATOM 388 OE2 GLU A 21 127.797 -3.158 -9.698 1.00 0.00 O ATOM 0 H GLU A 21 127.307 -2.557 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 21 124.891 -1.180 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.238 -0.786 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.840 -1.013 -6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.532 -3.547 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.165 -3.040 -8.516 1.00 0.00 H new ATOM 395 N ILE A 22 124.352 -4.201 -6.322 1.00 0.00 N ATOM 396 CA ILE A 22 123.244 -5.159 -6.595 1.00 0.00 C ATOM 397 C ILE A 22 122.544 -5.541 -5.288 1.00 0.00 C ATOM 398 O ILE A 22 121.334 -5.504 -5.185 1.00 0.00 O ATOM 399 CB ILE A 22 123.918 -6.380 -7.220 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.692 -5.950 -8.468 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.853 -7.407 -7.610 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.773 -6.986 -8.782 1.00 0.00 C ATOM 0 H ILE A 22 125.285 -4.612 -6.297 1.00 0.00 H new ATOM 0 HA ILE A 22 122.484 -4.735 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 22 124.605 -6.825 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.012 -5.851 -9.314 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.146 -4.972 -8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.333 -8.278 -8.056 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.300 -7.713 -6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.166 -6.963 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.324 -6.679 -9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.459 -7.063 -7.939 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.307 -7.955 -8.960 1.00 0.00 H new ATOM 414 N LYS A 23 123.298 -5.904 -4.286 1.00 0.00 N ATOM 415 CA LYS A 23 122.677 -6.285 -2.985 1.00 0.00 C ATOM 416 C LYS A 23 121.687 -5.205 -2.540 1.00 0.00 C ATOM 417 O LYS A 23 120.659 -5.493 -1.960 1.00 0.00 O ATOM 418 CB LYS A 23 123.844 -6.381 -2.003 1.00 0.00 C ATOM 419 CG LYS A 23 124.911 -7.322 -2.568 1.00 0.00 C ATOM 420 CD LYS A 23 124.967 -8.595 -1.722 1.00 0.00 C ATOM 421 CE LYS A 23 125.185 -9.805 -2.635 1.00 0.00 C ATOM 422 NZ LYS A 23 123.815 -10.277 -2.979 1.00 0.00 N ATOM 0 H LYS A 23 124.316 -5.953 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 23 122.121 -7.221 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.270 -5.393 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.493 -6.749 -1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.680 -7.571 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.883 -6.829 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 23 125.775 -8.525 -0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 23 124.040 -8.712 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 23 125.744 -9.530 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 23 125.756 -10.584 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 123.880 -11.106 -3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 123.309 -10.538 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 123.298 -9.517 -3.465 1.00 0.00 H new ATOM 436 N VAL A 24 121.990 -3.965 -2.808 1.00 0.00 N ATOM 437 CA VAL A 24 121.067 -2.868 -2.400 1.00 0.00 C ATOM 438 C VAL A 24 119.819 -2.873 -3.287 1.00 0.00 C ATOM 439 O VAL A 24 118.704 -2.813 -2.808 1.00 0.00 O ATOM 440 CB VAL A 24 121.868 -1.582 -2.602 1.00 0.00 C ATOM 441 CG1 VAL A 24 120.981 -0.374 -2.298 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.071 -1.580 -1.655 1.00 0.00 C ATOM 0 H VAL A 24 122.836 -3.664 -3.291 1.00 0.00 H new ATOM 0 HA VAL A 24 120.724 -2.975 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 24 122.214 -1.528 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.553 0.543 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.122 -0.375 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.635 -0.427 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.644 -0.664 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.722 -1.634 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.704 -2.441 -1.869 1.00 0.00 H new ATOM 452 N ARG A 25 119.997 -2.947 -4.580 1.00 0.00 N ATOM 453 CA ARG A 25 118.818 -2.960 -5.492 1.00 0.00 C ATOM 454 C ARG A 25 117.804 -4.002 -5.021 1.00 0.00 C ATOM 455 O ARG A 25 116.633 -3.719 -4.860 1.00 0.00 O ATOM 456 CB ARG A 25 119.380 -3.336 -6.863 1.00 0.00 C ATOM 457 CG ARG A 25 118.380 -2.941 -7.952 1.00 0.00 C ATOM 458 CD ARG A 25 117.819 -4.203 -8.612 1.00 0.00 C ATOM 459 NE ARG A 25 118.108 -4.035 -10.063 1.00 0.00 N ATOM 460 CZ ARG A 25 119.213 -4.511 -10.569 1.00 0.00 C ATOM 461 NH1 ARG A 25 119.283 -5.768 -10.917 1.00 0.00 N ATOM 462 NH2 ARG A 25 120.247 -3.733 -10.726 1.00 0.00 N ATOM 0 H ARG A 25 120.905 -2.999 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 25 118.301 -2.001 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.332 -2.831 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.576 -4.407 -6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.570 -2.353 -7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.868 -2.314 -8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.293 -5.101 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 25 116.749 -4.302 -8.431 1.00 0.00 H new ATOM 0 HE ARG A 25 117.442 -3.547 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.474 -6.377 -10.793 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.146 -6.140 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.193 -2.752 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 25 121.110 -4.106 -11.121 1.00 0.00 H new ATOM 476 N GLU A 26 118.247 -5.205 -4.796 1.00 0.00 N ATOM 477 CA GLU A 26 117.313 -6.271 -4.329 1.00 0.00 C ATOM 478 C GLU A 26 116.790 -5.931 -2.932 1.00 0.00 C ATOM 479 O GLU A 26 115.693 -6.301 -2.560 1.00 0.00 O ATOM 480 CB GLU A 26 118.153 -7.548 -4.292 1.00 0.00 C ATOM 481 CG GLU A 26 117.746 -8.463 -5.448 1.00 0.00 C ATOM 482 CD GLU A 26 118.242 -9.884 -5.175 1.00 0.00 C ATOM 483 OE1 GLU A 26 117.632 -10.556 -4.361 1.00 0.00 O ATOM 484 OE2 GLU A 26 119.225 -10.275 -5.784 1.00 0.00 O ATOM 0 H GLU A 26 119.216 -5.499 -4.915 1.00 0.00 H new ATOM 0 HA GLU A 26 116.445 -6.377 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.212 -7.301 -4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.011 -8.061 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.662 -8.461 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 26 118.166 -8.093 -6.383 1.00 0.00 H new ATOM 491 N ALA A 27 117.567 -5.226 -2.155 1.00 0.00 N ATOM 492 CA ALA A 27 117.117 -4.860 -0.782 1.00 0.00 C ATOM 493 C ALA A 27 116.060 -3.754 -0.854 1.00 0.00 C ATOM 494 O ALA A 27 115.307 -3.539 0.075 1.00 0.00 O ATOM 495 CB ALA A 27 118.375 -4.356 -0.074 1.00 0.00 C ATOM 0 H ALA A 27 118.494 -4.888 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 27 116.664 -5.700 -0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.126 -4.066 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.123 -5.148 -0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.773 -3.494 -0.609 1.00 0.00 H new ATOM 501 N THR A 28 116.001 -3.051 -1.952 1.00 0.00 N ATOM 502 CA THR A 28 114.994 -1.960 -2.085 1.00 0.00 C ATOM 503 C THR A 28 114.069 -2.234 -3.275 1.00 0.00 C ATOM 504 O THR A 28 114.025 -1.478 -4.226 1.00 0.00 O ATOM 505 CB THR A 28 115.814 -0.691 -2.325 1.00 0.00 C ATOM 506 OG1 THR A 28 116.714 -0.910 -3.403 1.00 0.00 O ATOM 507 CG2 THR A 28 116.601 -0.342 -1.062 1.00 0.00 C ATOM 0 H THR A 28 116.606 -3.185 -2.762 1.00 0.00 H new ATOM 0 HA THR A 28 114.359 -1.875 -1.203 1.00 0.00 H new ATOM 0 HB THR A 28 115.145 0.134 -2.570 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.462 -1.464 -3.097 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.184 0.562 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 28 115.909 -0.175 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.272 -1.164 -0.812 1.00 0.00 H new ATOM 644 N LEU A 39 120.188 -10.729 2.890 1.00 0.00 N ATOM 645 CA LEU A 39 120.656 -9.701 1.916 1.00 0.00 C ATOM 646 C LEU A 39 121.153 -8.457 2.657 1.00 0.00 C ATOM 647 O LEU A 39 122.165 -7.880 2.313 1.00 0.00 O ATOM 648 CB LEU A 39 119.427 -9.366 1.071 1.00 0.00 C ATOM 649 CG LEU A 39 119.798 -8.313 0.026 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.949 -8.981 -1.341 1.00 0.00 C ATOM 651 CD2 LEU A 39 118.695 -7.255 -0.044 1.00 0.00 C ATOM 0 HA LEU A 39 121.485 -10.059 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.054 -10.265 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.625 -8.994 1.708 1.00 0.00 H new ATOM 0 HG LEU A 39 120.740 -7.840 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.213 -8.230 -2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 39 120.734 -9.736 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 39 119.008 -9.454 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 39 118.958 -6.504 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 39 117.754 -7.729 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 39 118.586 -6.778 0.930 1.00 0.00 H new ATOM 663 N MET A 40 120.448 -8.037 3.672 1.00 0.00 N ATOM 664 CA MET A 40 120.882 -6.831 4.432 1.00 0.00 C ATOM 665 C MET A 40 122.272 -7.056 5.031 1.00 0.00 C ATOM 666 O MET A 40 123.171 -6.257 4.856 1.00 0.00 O ATOM 667 CB MET A 40 119.840 -6.662 5.539 1.00 0.00 C ATOM 668 CG MET A 40 118.808 -5.617 5.115 1.00 0.00 C ATOM 669 SD MET A 40 117.307 -5.815 6.105 1.00 0.00 S ATOM 670 CE MET A 40 116.226 -4.774 5.094 1.00 0.00 C ATOM 0 H MET A 40 119.591 -8.477 4.007 1.00 0.00 H new ATOM 0 HA MET A 40 120.949 -5.946 3.799 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.348 -7.614 5.738 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.325 -6.354 6.465 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.214 -4.614 5.248 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.575 -5.729 4.056 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.228 -4.754 5.531 1.00 0.00 H new ATOM 0 HE2 MET A 40 116.627 -3.761 5.057 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.172 -5.179 4.084 1.00 0.00 H new ATOM 680 N SER A 41 122.457 -8.138 5.737 1.00 0.00 N ATOM 681 CA SER A 41 123.791 -8.412 6.345 1.00 0.00 C ATOM 682 C SER A 41 124.883 -8.332 5.277 1.00 0.00 C ATOM 683 O SER A 41 126.029 -8.050 5.567 1.00 0.00 O ATOM 684 CB SER A 41 123.689 -9.831 6.902 1.00 0.00 C ATOM 685 OG SER A 41 123.494 -10.744 5.829 1.00 0.00 O ATOM 0 H SER A 41 121.743 -8.844 5.919 1.00 0.00 H new ATOM 0 HA SER A 41 124.049 -7.689 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 41 124.596 -10.085 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 41 122.861 -9.899 7.607 1.00 0.00 H new ATOM 0 HG SER A 41 123.430 -11.656 6.183 1.00 0.00 H new ATOM 691 N GLU A 42 124.538 -8.578 4.043 1.00 0.00 N ATOM 692 CA GLU A 42 125.557 -8.516 2.959 1.00 0.00 C ATOM 693 C GLU A 42 125.840 -7.059 2.582 1.00 0.00 C ATOM 694 O GLU A 42 126.970 -6.612 2.602 1.00 0.00 O ATOM 695 CB GLU A 42 124.931 -9.264 1.782 1.00 0.00 C ATOM 696 CG GLU A 42 125.134 -10.769 1.967 1.00 0.00 C ATOM 697 CD GLU A 42 126.612 -11.114 1.775 1.00 0.00 C ATOM 698 OE1 GLU A 42 127.356 -11.001 2.736 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.975 -11.484 0.670 1.00 0.00 O ATOM 0 H GLU A 42 123.595 -8.819 3.739 1.00 0.00 H new ATOM 0 HA GLU A 42 126.508 -8.956 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 42 123.867 -9.035 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.386 -8.937 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.806 -11.071 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.525 -11.319 1.250 1.00 0.00 H new ATOM 706 N ILE A 43 124.824 -6.314 2.238 1.00 0.00 N ATOM 707 CA ILE A 43 125.044 -4.889 1.862 1.00 0.00 C ATOM 708 C ILE A 43 125.853 -4.179 2.951 1.00 0.00 C ATOM 709 O ILE A 43 126.710 -3.366 2.671 1.00 0.00 O ATOM 710 CB ILE A 43 123.646 -4.282 1.743 1.00 0.00 C ATOM 711 CG1 ILE A 43 122.878 -4.992 0.625 1.00 0.00 C ATOM 712 CG2 ILE A 43 123.764 -2.794 1.411 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.375 -4.807 0.839 1.00 0.00 C ATOM 0 H ILE A 43 123.855 -6.630 2.201 1.00 0.00 H new ATOM 0 HA ILE A 43 125.604 -4.789 0.932 1.00 0.00 H new ATOM 0 HB ILE A 43 123.114 -4.404 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.170 -4.588 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.127 -6.053 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 43 122.768 -2.360 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.314 -2.287 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.294 -2.673 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 43 120.829 -5.313 0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.089 -5.232 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.134 -3.744 0.826 1.00 0.00 H new ATOM 725 N ALA A 44 125.599 -4.490 4.193 1.00 0.00 N ATOM 726 CA ALA A 44 126.367 -3.841 5.293 1.00 0.00 C ATOM 727 C ALA A 44 127.820 -4.329 5.252 1.00 0.00 C ATOM 728 O ALA A 44 128.761 -3.549 5.200 1.00 0.00 O ATOM 729 CB ALA A 44 125.681 -4.298 6.580 1.00 0.00 C ATOM 0 H ALA A 44 124.894 -5.164 4.493 1.00 0.00 H new ATOM 0 HA ALA A 44 126.384 -2.754 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.190 -3.861 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 44 124.640 -3.975 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 44 125.723 -5.385 6.648 1.00 0.00 H new ATOM 735 N ASP A 45 128.013 -5.621 5.253 1.00 0.00 N ATOM 736 CA ASP A 45 129.398 -6.163 5.194 1.00 0.00 C ATOM 737 C ASP A 45 130.141 -5.513 4.029 1.00 0.00 C ATOM 738 O ASP A 45 131.355 -5.466 3.998 1.00 0.00 O ATOM 739 CB ASP A 45 129.230 -7.665 4.958 1.00 0.00 C ATOM 740 CG ASP A 45 130.487 -8.399 5.429 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.633 -8.573 6.628 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.283 -8.772 4.584 1.00 0.00 O ATOM 0 H ASP A 45 127.273 -6.321 5.292 1.00 0.00 H new ATOM 0 HA ASP A 45 129.970 -5.965 6.100 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.357 -8.033 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 45 129.057 -7.861 3.900 1.00 0.00 H new ATOM 747 N LEU A 46 129.414 -5.005 3.071 1.00 0.00 N ATOM 748 CA LEU A 46 130.065 -4.348 1.906 1.00 0.00 C ATOM 749 C LEU A 46 130.483 -2.926 2.273 1.00 0.00 C ATOM 750 O LEU A 46 131.540 -2.462 1.894 1.00 0.00 O ATOM 751 CB LEU A 46 128.997 -4.329 0.814 1.00 0.00 C ATOM 752 CG LEU A 46 129.036 -5.647 0.041 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.674 -5.901 -0.604 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.110 -5.564 -1.047 1.00 0.00 C ATOM 0 H LEU A 46 128.394 -5.018 3.047 1.00 0.00 H new ATOM 0 HA LEU A 46 130.965 -4.872 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.012 -4.184 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.169 -3.492 0.137 1.00 0.00 H new ATOM 0 HG LEU A 46 129.270 -6.464 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.702 -6.841 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 46 126.909 -5.957 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.438 -5.086 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.141 -6.503 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 46 129.874 -4.748 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.081 -5.383 -0.587 1.00 0.00 H new ATOM 766 N THR A 47 129.667 -2.227 3.012 1.00 0.00 N ATOM 767 CA THR A 47 130.036 -0.836 3.398 1.00 0.00 C ATOM 768 C THR A 47 131.463 -0.825 3.936 1.00 0.00 C ATOM 769 O THR A 47 132.232 0.076 3.671 1.00 0.00 O ATOM 770 CB THR A 47 129.051 -0.429 4.494 1.00 0.00 C ATOM 771 OG1 THR A 47 129.181 -1.311 5.599 1.00 0.00 O ATOM 772 CG2 THR A 47 127.627 -0.488 3.948 1.00 0.00 C ATOM 0 H THR A 47 128.767 -2.555 3.363 1.00 0.00 H new ATOM 0 HA THR A 47 129.990 -0.148 2.554 1.00 0.00 H new ATOM 0 HB THR A 47 129.268 0.588 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 47 128.785 -2.179 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 47 126.925 -0.198 4.730 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.532 0.195 3.104 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.405 -1.503 3.620 1.00 0.00 H new ATOM 780 N TYR A 48 131.825 -1.831 4.684 1.00 0.00 N ATOM 781 CA TYR A 48 133.214 -1.877 5.228 1.00 0.00 C ATOM 782 C TYR A 48 134.206 -1.521 4.121 1.00 0.00 C ATOM 783 O TYR A 48 135.077 -0.690 4.287 1.00 0.00 O ATOM 784 CB TYR A 48 133.431 -3.323 5.670 1.00 0.00 C ATOM 785 CG TYR A 48 132.680 -3.585 6.949 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.223 -3.188 8.176 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.446 -4.236 6.905 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.525 -3.442 9.362 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.748 -4.494 8.090 1.00 0.00 C ATOM 790 CZ TYR A 48 131.289 -4.096 9.320 1.00 0.00 C ATOM 791 OH TYR A 48 130.602 -4.351 10.491 1.00 0.00 O ATOM 0 H TYR A 48 131.227 -2.616 4.941 1.00 0.00 H new ATOM 0 HA TYR A 48 133.357 -1.175 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.090 -4.006 4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.494 -3.512 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.179 -2.687 8.208 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.030 -4.541 5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 48 132.941 -3.133 10.310 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.794 -4.999 8.057 1.00 0.00 H new ATOM 0 HH TYR A 48 129.904 -3.674 10.615 1.00 0.00 H new ATOM 801 N ASN A 49 134.072 -2.155 2.991 1.00 0.00 N ATOM 802 CA ASN A 49 134.998 -1.875 1.852 1.00 0.00 C ATOM 803 C ASN A 49 134.733 -0.497 1.267 1.00 0.00 C ATOM 804 O ASN A 49 133.929 -0.334 0.372 1.00 0.00 O ATOM 805 CB ASN A 49 134.706 -2.965 0.821 1.00 0.00 C ATOM 806 CG ASN A 49 135.502 -4.223 1.168 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.274 -4.229 2.106 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.345 -5.298 0.445 1.00 0.00 N ATOM 0 H ASN A 49 133.358 -2.859 2.803 1.00 0.00 H new ATOM 0 HA ASN A 49 136.042 -1.881 2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.639 -3.190 0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.973 -2.617 -0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 49 135.870 -6.143 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.697 -5.293 -0.343 1.00 0.00 H new ATOM 815 N VAL A 50 135.449 0.470 1.769 1.00 0.00 N ATOM 816 CA VAL A 50 135.354 1.882 1.288 1.00 0.00 C ATOM 817 C VAL A 50 134.567 1.996 -0.025 1.00 0.00 C ATOM 818 O VAL A 50 133.576 2.694 -0.102 1.00 0.00 O ATOM 819 CB VAL A 50 136.817 2.302 1.078 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.383 2.826 2.398 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.672 1.105 0.603 1.00 0.00 C ATOM 0 H VAL A 50 136.123 0.336 2.523 1.00 0.00 H new ATOM 0 HA VAL A 50 134.821 2.514 1.998 1.00 0.00 H new ATOM 0 HB VAL A 50 136.849 3.079 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.421 3.126 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 50 136.799 3.685 2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.332 2.041 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.703 1.428 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.639 0.314 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.277 0.728 -0.340 1.00 0.00 H new ATOM 831 N VAL A 51 134.993 1.315 -1.054 1.00 0.00 N ATOM 832 CA VAL A 51 134.256 1.390 -2.347 1.00 0.00 C ATOM 833 C VAL A 51 132.845 0.847 -2.171 1.00 0.00 C ATOM 834 O VAL A 51 131.867 1.548 -2.337 1.00 0.00 O ATOM 835 CB VAL A 51 135.038 0.488 -3.310 1.00 0.00 C ATOM 836 CG1 VAL A 51 134.104 -0.047 -4.415 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.172 1.292 -3.945 1.00 0.00 C ATOM 0 H VAL A 51 135.816 0.712 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 51 134.176 2.414 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 51 135.449 -0.356 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.671 -0.686 -5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.297 -0.623 -3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.683 0.790 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.731 0.655 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.756 2.137 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.839 1.658 -3.165 1.00 0.00 H new ATOM 847 N ALA A 52 132.753 -0.416 -1.877 1.00 0.00 N ATOM 848 CA ALA A 52 131.427 -1.058 -1.725 1.00 0.00 C ATOM 849 C ALA A 52 130.446 -0.108 -1.039 1.00 0.00 C ATOM 850 O ALA A 52 129.295 -0.016 -1.409 1.00 0.00 O ATOM 851 CB ALA A 52 131.682 -2.282 -0.851 1.00 0.00 C ATOM 0 H ALA A 52 133.550 -1.036 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 52 130.987 -1.322 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.745 -2.816 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.394 -2.941 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.089 -1.965 0.109 1.00 0.00 H new ATOM 857 N PHE A 53 130.899 0.600 -0.041 1.00 0.00 N ATOM 858 CA PHE A 53 130.000 1.549 0.672 1.00 0.00 C ATOM 859 C PHE A 53 129.562 2.674 -0.270 1.00 0.00 C ATOM 860 O PHE A 53 128.387 2.893 -0.488 1.00 0.00 O ATOM 861 CB PHE A 53 130.853 2.108 1.810 1.00 0.00 C ATOM 862 CG PHE A 53 130.175 3.322 2.390 1.00 0.00 C ATOM 863 CD1 PHE A 53 128.932 3.193 3.017 1.00 0.00 C ATOM 864 CD2 PHE A 53 130.788 4.575 2.297 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.300 4.321 3.553 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.158 5.703 2.833 1.00 0.00 C ATOM 867 CZ PHE A 53 128.913 5.576 3.461 1.00 0.00 C ATOM 0 H PHE A 53 131.855 0.562 0.312 1.00 0.00 H new ATOM 0 HA PHE A 53 129.091 1.068 1.034 1.00 0.00 H new ATOM 0 HB2 PHE A 53 130.991 1.351 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.844 2.372 1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.460 2.224 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 53 131.748 4.672 1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.340 4.223 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 53 130.631 6.671 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.426 6.447 3.874 1.00 0.00 H new ATOM 877 N SER A 54 130.499 3.392 -0.828 1.00 0.00 N ATOM 878 CA SER A 54 130.135 4.503 -1.754 1.00 0.00 C ATOM 879 C SER A 54 129.171 3.995 -2.828 1.00 0.00 C ATOM 880 O SER A 54 128.381 4.741 -3.372 1.00 0.00 O ATOM 881 CB SER A 54 131.459 4.947 -2.380 1.00 0.00 C ATOM 882 OG SER A 54 131.323 4.991 -3.795 1.00 0.00 O ATOM 0 H SER A 54 131.500 3.258 -0.683 1.00 0.00 H new ATOM 0 HA SER A 54 129.635 5.325 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.742 5.929 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 54 132.255 4.256 -2.102 1.00 0.00 H new ATOM 0 HG SER A 54 132.170 5.277 -4.196 1.00 0.00 H new ATOM 888 N GLU A 55 129.229 2.730 -3.137 1.00 0.00 N ATOM 889 CA GLU A 55 128.318 2.169 -4.173 1.00 0.00 C ATOM 890 C GLU A 55 126.966 1.812 -3.544 1.00 0.00 C ATOM 891 O GLU A 55 125.932 1.890 -4.179 1.00 0.00 O ATOM 892 CB GLU A 55 129.026 0.913 -4.682 1.00 0.00 C ATOM 893 CG GLU A 55 130.461 1.263 -5.093 1.00 0.00 C ATOM 894 CD GLU A 55 130.531 1.433 -6.612 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.042 2.439 -7.098 1.00 0.00 O ATOM 896 OE2 GLU A 55 131.071 0.553 -7.262 1.00 0.00 O ATOM 0 H GLU A 55 129.870 2.058 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 55 128.117 2.875 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 55 129.036 0.149 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.485 0.497 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.778 2.181 -4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 55 131.144 0.476 -4.773 1.00 0.00 H new ATOM 903 N ILE A 56 126.971 1.424 -2.298 1.00 0.00 N ATOM 904 CA ILE A 56 125.695 1.062 -1.619 1.00 0.00 C ATOM 905 C ILE A 56 124.897 2.327 -1.288 1.00 0.00 C ATOM 906 O ILE A 56 123.857 2.582 -1.861 1.00 0.00 O ATOM 907 CB ILE A 56 126.124 0.341 -0.340 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.640 -1.055 -0.695 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.929 0.217 0.608 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.693 -1.487 0.328 1.00 0.00 C ATOM 0 H ILE A 56 127.807 1.342 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 56 125.053 0.439 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 56 126.914 0.911 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.815 -1.767 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.071 -1.051 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.238 -0.297 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.560 1.211 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.136 -0.351 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.060 -2.482 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.523 -0.780 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.247 -1.507 1.322 1.00 0.00 H new ATOM 922 N MET A 57 125.380 3.124 -0.374 1.00 0.00 N ATOM 923 CA MET A 57 124.648 4.374 -0.017 1.00 0.00 C ATOM 924 C MET A 57 124.165 5.071 -1.290 1.00 0.00 C ATOM 925 O MET A 57 123.077 5.606 -1.340 1.00 0.00 O ATOM 926 CB MET A 57 125.680 5.240 0.706 1.00 0.00 C ATOM 927 CG MET A 57 125.666 4.912 2.200 1.00 0.00 C ATOM 928 SD MET A 57 124.069 5.388 2.907 1.00 0.00 S ATOM 929 CE MET A 57 124.635 6.882 3.755 1.00 0.00 C ATOM 0 H MET A 57 126.247 2.965 0.140 1.00 0.00 H new ATOM 0 HA MET A 57 123.771 4.184 0.601 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.673 5.062 0.293 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.456 6.296 0.553 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.840 3.847 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.473 5.441 2.707 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.827 7.280 4.370 1.00 0.00 H new ATOM 0 HE2 MET A 57 125.488 6.640 4.389 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.931 7.628 3.018 1.00 0.00 H new ATOM 939 N SER A 58 124.966 5.062 -2.320 1.00 0.00 N ATOM 940 CA SER A 58 124.552 5.720 -3.593 1.00 0.00 C ATOM 941 C SER A 58 123.182 5.195 -4.031 1.00 0.00 C ATOM 942 O SER A 58 122.233 5.941 -4.158 1.00 0.00 O ATOM 943 CB SER A 58 125.625 5.330 -4.608 1.00 0.00 C ATOM 944 OG SER A 58 126.591 6.369 -4.693 1.00 0.00 O ATOM 0 H SER A 58 125.889 4.628 -2.336 1.00 0.00 H new ATOM 0 HA SER A 58 124.463 6.802 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.103 4.397 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.173 5.158 -5.585 1.00 0.00 H new ATOM 0 HG SER A 58 127.425 6.076 -4.269 1.00 0.00 H new ATOM 950 N MET A 59 123.072 3.914 -4.258 1.00 0.00 N ATOM 951 CA MET A 59 121.761 3.344 -4.680 1.00 0.00 C ATOM 952 C MET A 59 120.706 3.613 -3.605 1.00 0.00 C ATOM 953 O MET A 59 119.519 3.610 -3.867 1.00 0.00 O ATOM 954 CB MET A 59 122.009 1.843 -4.825 1.00 0.00 C ATOM 955 CG MET A 59 122.782 1.577 -6.118 1.00 0.00 C ATOM 956 SD MET A 59 121.759 2.044 -7.536 1.00 0.00 S ATOM 957 CE MET A 59 122.795 1.299 -8.819 1.00 0.00 C ATOM 0 H MET A 59 123.832 3.239 -4.170 1.00 0.00 H new ATOM 0 HA MET A 59 121.394 3.785 -5.607 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.573 1.472 -3.969 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.060 1.306 -4.839 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.711 2.146 -6.123 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.053 0.523 -6.182 1.00 0.00 H new ATOM 0 HE1 MET A 59 122.343 1.470 -9.796 1.00 0.00 H new ATOM 0 HE2 MET A 59 123.787 1.751 -8.794 1.00 0.00 H new ATOM 0 HE3 MET A 59 122.880 0.227 -8.641 1.00 0.00 H new ATOM 967 N ILE A 60 121.135 3.849 -2.396 1.00 0.00 N ATOM 968 CA ILE A 60 120.167 4.122 -1.296 1.00 0.00 C ATOM 969 C ILE A 60 119.639 5.559 -1.410 1.00 0.00 C ATOM 970 O ILE A 60 118.537 5.859 -0.996 1.00 0.00 O ATOM 971 CB ILE A 60 120.985 3.909 -0.009 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.733 2.492 0.515 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.579 4.919 1.068 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.053 1.719 0.567 1.00 0.00 C ATOM 0 H ILE A 60 122.117 3.865 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 60 119.289 3.477 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 60 122.041 4.049 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.286 2.535 1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.023 1.976 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.170 4.749 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.756 5.931 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.521 4.797 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.870 0.711 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.482 1.663 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.749 2.231 1.232 1.00 0.00 H new ATOM 986 N TRP A 61 120.419 6.446 -1.964 1.00 0.00 N ATOM 987 CA TRP A 61 119.963 7.860 -2.102 1.00 0.00 C ATOM 988 C TRP A 61 119.068 8.014 -3.337 1.00 0.00 C ATOM 989 O TRP A 61 118.192 8.855 -3.378 1.00 0.00 O ATOM 990 CB TRP A 61 121.245 8.676 -2.271 1.00 0.00 C ATOM 991 CG TRP A 61 122.034 8.643 -1.001 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.354 8.361 -0.916 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.581 8.898 0.361 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.740 8.425 0.410 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.683 8.752 1.236 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.333 9.237 0.917 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.554 8.936 2.614 1.00 0.00 C ATOM 998 CZ3 TRP A 61 120.200 9.422 2.303 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.308 9.272 3.150 1.00 0.00 C ATOM 0 H TRP A 61 121.352 6.254 -2.327 1.00 0.00 H new ATOM 0 HA TRP A 61 119.378 8.187 -1.242 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.839 8.272 -3.090 1.00 0.00 H new ATOM 0 HB3 TRP A 61 121.001 9.706 -2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 61 124.001 8.124 -1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.690 8.252 0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.473 9.355 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.411 8.819 3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.238 9.682 2.719 1.00 0.00 H new ATOM 0 HH2 TRP A 61 121.198 9.416 4.215 1.00 0.00 H new ATOM 1010 N LYS A 62 119.284 7.212 -4.343 1.00 0.00 N ATOM 1011 CA LYS A 62 118.446 7.318 -5.573 1.00 0.00 C ATOM 1012 C LYS A 62 117.031 6.802 -5.300 1.00 0.00 C ATOM 1013 O LYS A 62 116.059 7.514 -5.459 1.00 0.00 O ATOM 1014 CB LYS A 62 119.148 6.439 -6.608 1.00 0.00 C ATOM 1015 CG LYS A 62 119.923 7.322 -7.587 1.00 0.00 C ATOM 1016 CD LYS A 62 121.337 7.561 -7.051 1.00 0.00 C ATOM 1017 CE LYS A 62 121.650 9.058 -7.085 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.415 9.262 -8.347 1.00 0.00 N ATOM 0 H LYS A 62 120.003 6.489 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 62 118.345 8.348 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.827 5.746 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.416 5.837 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.970 6.844 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.408 8.273 -7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.419 7.185 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 62 122.063 7.013 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 62 120.737 9.653 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 122.235 9.359 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.667 10.267 -8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.282 8.689 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.831 8.973 -9.158 1.00 0.00 H new ATOM 1032 N ARG A 63 116.906 5.570 -4.890 1.00 0.00 N ATOM 1033 CA ARG A 63 115.551 5.012 -4.608 1.00 0.00 C ATOM 1034 C ARG A 63 114.909 5.755 -3.434 1.00 0.00 C ATOM 1035 O ARG A 63 113.704 5.792 -3.294 1.00 0.00 O ATOM 1036 CB ARG A 63 115.795 3.546 -4.248 1.00 0.00 C ATOM 1037 CG ARG A 63 116.142 2.758 -5.514 1.00 0.00 C ATOM 1038 CD ARG A 63 116.521 1.325 -5.136 1.00 0.00 C ATOM 1039 NE ARG A 63 115.878 0.472 -6.174 1.00 0.00 N ATOM 1040 CZ ARG A 63 116.096 0.709 -7.438 1.00 0.00 C ATOM 1041 NH1 ARG A 63 117.317 0.855 -7.874 1.00 0.00 N ATOM 1042 NH2 ARG A 63 115.092 0.798 -8.268 1.00 0.00 N ATOM 0 H ARG A 63 117.682 4.925 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 63 114.875 5.116 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.607 3.469 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.907 3.124 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 63 115.292 2.753 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.968 3.238 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 63 117.603 1.191 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 63 116.162 1.071 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 63 115.268 -0.297 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 63 118.102 0.784 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 63 117.487 1.040 -8.863 1.00 0.00 H new ATOM 0 HH21 ARG A 63 114.137 0.682 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG A 63 115.262 0.983 -9.256 1.00 0.00 H new ATOM 1056 N LEU A 64 115.710 6.346 -2.589 1.00 0.00 N ATOM 1057 CA LEU A 64 115.150 7.087 -1.421 1.00 0.00 C ATOM 1058 C LEU A 64 114.364 8.309 -1.893 1.00 0.00 C ATOM 1059 O LEU A 64 113.595 8.890 -1.152 1.00 0.00 O ATOM 1060 CB LEU A 64 116.366 7.534 -0.615 1.00 0.00 C ATOM 1061 CG LEU A 64 116.550 6.608 0.589 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.815 7.004 1.355 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.335 6.732 1.509 1.00 0.00 C ATOM 0 H LEU A 64 116.728 6.348 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 64 114.468 6.469 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.258 7.515 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.235 8.563 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 64 116.647 5.578 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.943 6.343 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.680 6.918 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.723 8.033 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.461 6.074 2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.242 7.763 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.435 6.448 0.964 1.00 0.00 H new ATOM 1075 N ASN A 65 114.557 8.710 -3.117 1.00 0.00 N ATOM 1076 CA ASN A 65 113.830 9.897 -3.628 1.00 0.00 C ATOM 1077 C ASN A 65 112.852 9.480 -4.727 1.00 0.00 C ATOM 1078 O ASN A 65 112.746 10.123 -5.753 1.00 0.00 O ATOM 1079 CB ASN A 65 114.915 10.815 -4.193 1.00 0.00 C ATOM 1080 CG ASN A 65 115.461 11.707 -3.076 1.00 0.00 C ATOM 1081 OD1 ASN A 65 114.723 12.448 -2.458 1.00 0.00 O ATOM 1082 ND2 ASN A 65 116.734 11.667 -2.789 1.00 0.00 N ATOM 0 H ASN A 65 115.188 8.265 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 65 113.245 10.391 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.720 10.221 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.506 11.428 -4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 65 117.108 12.258 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 65 117.354 11.045 -3.307 1.00 0.00 H new ATOM 1161 N TRP A 71 106.433 5.137 -3.524 1.00 0.00 N ATOM 1162 CA TRP A 71 107.236 5.342 -2.283 1.00 0.00 C ATOM 1163 C TRP A 71 107.664 3.994 -1.696 1.00 0.00 C ATOM 1164 O TRP A 71 108.477 3.930 -0.796 1.00 0.00 O ATOM 1165 CB TRP A 71 106.308 6.082 -1.315 1.00 0.00 C ATOM 1166 CG TRP A 71 104.960 5.433 -1.302 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.852 5.938 -1.891 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.557 4.177 -0.683 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.795 5.072 -1.673 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.180 3.973 -0.932 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.247 3.205 0.065 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 102.510 2.844 -0.457 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 104.575 2.069 0.545 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.209 1.889 0.284 1.00 0.00 C ATOM 0 HA TRP A 71 108.148 5.906 -2.477 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.734 6.074 -0.312 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.215 7.126 -1.614 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.801 6.866 -2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 71 101.848 5.227 -2.018 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.299 3.333 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 101.458 2.710 -0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 105.114 1.329 1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 71 102.698 1.013 0.656 1.00 0.00 H new ATOM 1185 N ARG A 72 107.126 2.915 -2.197 1.00 0.00 N ATOM 1186 CA ARG A 72 107.510 1.577 -1.665 1.00 0.00 C ATOM 1187 C ARG A 72 109.035 1.457 -1.594 1.00 0.00 C ATOM 1188 O ARG A 72 109.590 1.017 -0.606 1.00 0.00 O ATOM 1189 CB ARG A 72 106.939 0.572 -2.666 1.00 0.00 C ATOM 1190 CG ARG A 72 105.410 0.594 -2.598 1.00 0.00 C ATOM 1191 CD ARG A 72 104.852 -0.666 -3.263 1.00 0.00 C ATOM 1192 NE ARG A 72 103.486 -0.828 -2.693 1.00 0.00 N ATOM 1193 CZ ARG A 72 102.438 -0.606 -3.438 1.00 0.00 C ATOM 1194 NH1 ARG A 72 101.922 -1.574 -4.144 1.00 0.00 N ATOM 1195 NH2 ARG A 72 101.906 0.585 -3.477 1.00 0.00 N ATOM 0 H ARG A 72 106.438 2.902 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 72 107.129 1.408 -0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.272 0.818 -3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.309 -0.429 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.082 0.646 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 72 105.026 1.483 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.817 -0.558 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.475 -1.534 -3.049 1.00 0.00 H new ATOM 0 HE ARG A 72 103.370 -1.112 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.338 -2.505 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 72 101.103 -1.400 -4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 72 102.309 1.342 -2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.087 0.759 -4.059 1.00 0.00 H new ATOM 1209 N HIS A 73 109.718 1.848 -2.637 1.00 0.00 N ATOM 1210 CA HIS A 73 111.206 1.759 -2.630 1.00 0.00 C ATOM 1211 C HIS A 73 111.776 2.577 -1.471 1.00 0.00 C ATOM 1212 O HIS A 73 112.601 2.106 -0.714 1.00 0.00 O ATOM 1213 CB HIS A 73 111.643 2.353 -3.971 1.00 0.00 C ATOM 1214 CG HIS A 73 111.128 1.492 -5.090 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.955 0.652 -5.817 1.00 0.00 N ATOM 1216 CD2 HIS A 73 109.871 1.331 -5.620 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.194 0.028 -6.735 1.00 0.00 C ATOM 1218 NE2 HIS A 73 109.915 0.406 -6.658 1.00 0.00 N ATOM 0 H HIS A 73 109.310 2.225 -3.492 1.00 0.00 H new ATOM 0 HA HIS A 73 111.560 0.736 -2.502 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.261 3.369 -4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.730 2.416 -4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 73 108.983 1.845 -5.282 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.571 -0.691 -7.447 1.00 0.00 H new ATOM 0 HE2 HIS A 73 109.138 0.085 -7.236 1.00 0.00 H new ATOM 1226 N VAL A 74 111.340 3.798 -1.323 1.00 0.00 N ATOM 1227 CA VAL A 74 111.852 4.646 -0.209 1.00 0.00 C ATOM 1228 C VAL A 74 111.845 3.855 1.104 1.00 0.00 C ATOM 1229 O VAL A 74 112.795 3.887 1.858 1.00 0.00 O ATOM 1230 CB VAL A 74 110.878 5.824 -0.136 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.016 6.522 1.218 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.198 6.818 -1.257 1.00 0.00 C ATOM 0 H VAL A 74 110.650 4.246 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 74 112.878 4.974 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 74 109.858 5.458 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.321 7.361 1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.789 5.815 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.036 6.888 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.505 7.658 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.219 7.182 -1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.098 6.322 -2.223 1.00 0.00 H new ATOM 1242 N TYR A 75 110.783 3.145 1.381 1.00 0.00 N ATOM 1243 CA TYR A 75 110.720 2.355 2.647 1.00 0.00 C ATOM 1244 C TYR A 75 111.915 1.402 2.738 1.00 0.00 C ATOM 1245 O TYR A 75 112.661 1.413 3.696 1.00 0.00 O ATOM 1246 CB TYR A 75 109.413 1.568 2.561 1.00 0.00 C ATOM 1247 CG TYR A 75 108.995 1.136 3.946 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.063 2.039 5.015 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.538 -0.170 4.162 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.675 1.635 6.298 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.149 -0.573 5.445 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.218 0.330 6.513 1.00 0.00 C ATOM 1253 OH TYR A 75 107.835 -0.069 7.778 1.00 0.00 O ATOM 0 H TYR A 75 109.957 3.078 0.786 1.00 0.00 H new ATOM 0 HA TYR A 75 110.754 2.992 3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.634 2.183 2.110 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.542 0.696 1.920 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.415 3.047 4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.486 -0.867 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.728 2.331 7.122 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.796 -1.580 5.611 1.00 0.00 H new ATOM 0 HH TYR A 75 107.065 0.463 8.070 1.00 0.00 H new ATOM 1263 N LYS A 76 112.110 0.580 1.749 1.00 0.00 N ATOM 1264 CA LYS A 76 113.266 -0.358 1.789 1.00 0.00 C ATOM 1265 C LYS A 76 114.567 0.425 1.595 1.00 0.00 C ATOM 1266 O LYS A 76 115.652 -0.100 1.744 1.00 0.00 O ATOM 1267 CB LYS A 76 113.037 -1.326 0.630 1.00 0.00 C ATOM 1268 CG LYS A 76 111.706 -2.055 0.828 1.00 0.00 C ATOM 1269 CD LYS A 76 110.828 -1.859 -0.409 1.00 0.00 C ATOM 1270 CE LYS A 76 109.367 -2.140 -0.049 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.354 -3.552 0.426 1.00 0.00 N ATOM 0 H LYS A 76 111.523 0.515 0.917 1.00 0.00 H new ATOM 0 HA LYS A 76 113.345 -0.886 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.029 -0.783 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.854 -2.046 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 76 111.883 -3.117 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 76 111.197 -1.672 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.932 -0.841 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 76 111.152 -2.527 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 76 109.013 -1.459 0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 76 108.715 -2.008 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 108.397 -3.945 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 110.022 -4.114 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.634 -3.584 1.427 1.00 0.00 H new ATOM 1285 N ALA A 77 114.460 1.682 1.253 1.00 0.00 N ATOM 1286 CA ALA A 77 115.679 2.511 1.037 1.00 0.00 C ATOM 1287 C ALA A 77 116.271 2.971 2.371 1.00 0.00 C ATOM 1288 O ALA A 77 117.328 2.529 2.776 1.00 0.00 O ATOM 1289 CB ALA A 77 115.195 3.711 0.224 1.00 0.00 C ATOM 0 H ALA A 77 113.576 2.171 1.114 1.00 0.00 H new ATOM 0 HA ALA A 77 116.465 1.954 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.035 4.375 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 77 114.770 3.365 -0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.435 4.250 0.789 1.00 0.00 H new ATOM 1295 N MET A 78 115.606 3.860 3.055 1.00 0.00 N ATOM 1296 CA MET A 78 116.150 4.347 4.356 1.00 0.00 C ATOM 1297 C MET A 78 116.385 3.167 5.303 1.00 0.00 C ATOM 1298 O MET A 78 117.234 3.217 6.171 1.00 0.00 O ATOM 1299 CB MET A 78 115.102 5.333 4.905 1.00 0.00 C ATOM 1300 CG MET A 78 114.013 4.609 5.710 1.00 0.00 C ATOM 1301 SD MET A 78 112.749 3.974 4.582 1.00 0.00 S ATOM 1302 CE MET A 78 111.720 5.462 4.520 1.00 0.00 C ATOM 0 H MET A 78 114.715 4.269 2.773 1.00 0.00 H new ATOM 0 HA MET A 78 117.115 4.841 4.245 1.00 0.00 H new ATOM 0 HB2 MET A 78 115.593 6.072 5.538 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.644 5.876 4.078 1.00 0.00 H new ATOM 0 HG2 MET A 78 114.451 3.790 6.280 1.00 0.00 H new ATOM 0 HG3 MET A 78 113.563 5.293 6.430 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.676 5.177 4.389 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.830 6.019 5.450 1.00 0.00 H new ATOM 0 HE3 MET A 78 112.034 6.087 3.684 1.00 0.00 H new ATOM 1312 N THR A 79 115.652 2.097 5.138 1.00 0.00 N ATOM 1313 CA THR A 79 115.858 0.918 6.026 1.00 0.00 C ATOM 1314 C THR A 79 117.263 0.360 5.812 1.00 0.00 C ATOM 1315 O THR A 79 118.098 0.405 6.690 1.00 0.00 O ATOM 1316 CB THR A 79 114.799 -0.100 5.602 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.511 0.493 5.692 1.00 0.00 O ATOM 1318 CG2 THR A 79 114.868 -1.321 6.521 1.00 0.00 C ATOM 0 H THR A 79 114.924 1.990 4.431 1.00 0.00 H new ATOM 0 HA THR A 79 115.765 1.168 7.083 1.00 0.00 H new ATOM 0 HB THR A 79 114.983 -0.411 4.574 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.109 0.540 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.113 -2.047 6.219 1.00 0.00 H new ATOM 0 HG22 THR A 79 115.857 -1.775 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.684 -1.013 7.550 1.00 0.00 H new ATOM 1326 N LEU A 80 117.532 -0.146 4.642 1.00 0.00 N ATOM 1327 CA LEU A 80 118.892 -0.686 4.355 1.00 0.00 C ATOM 1328 C LEU A 80 119.943 0.264 4.924 1.00 0.00 C ATOM 1329 O LEU A 80 120.736 -0.110 5.763 1.00 0.00 O ATOM 1330 CB LEU A 80 118.970 -0.740 2.828 1.00 0.00 C ATOM 1331 CG LEU A 80 120.429 -0.831 2.387 1.00 0.00 C ATOM 1332 CD1 LEU A 80 121.090 -2.035 3.055 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.492 -0.996 0.868 1.00 0.00 C ATOM 0 H LEU A 80 116.869 -0.210 3.870 1.00 0.00 H new ATOM 0 HA LEU A 80 119.070 -1.664 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.414 -1.601 2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.506 0.148 2.399 1.00 0.00 H new ATOM 0 HG LEU A 80 120.953 0.079 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 80 122.131 -2.100 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 80 121.045 -1.920 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.566 -2.945 2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.533 -1.061 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.967 -1.907 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.020 -0.138 0.389 1.00 0.00 H new ATOM 1345 N MET A 81 119.943 1.496 4.490 1.00 0.00 N ATOM 1346 CA MET A 81 120.935 2.471 5.023 1.00 0.00 C ATOM 1347 C MET A 81 121.057 2.311 6.537 1.00 0.00 C ATOM 1348 O MET A 81 122.142 2.260 7.081 1.00 0.00 O ATOM 1349 CB MET A 81 120.371 3.848 4.670 1.00 0.00 C ATOM 1350 CG MET A 81 121.205 4.934 5.354 1.00 0.00 C ATOM 1351 SD MET A 81 120.400 6.540 5.133 1.00 0.00 S ATOM 1352 CE MET A 81 121.500 7.493 6.208 1.00 0.00 C ATOM 0 H MET A 81 119.300 1.868 3.791 1.00 0.00 H new ATOM 0 HA MET A 81 121.930 2.324 4.603 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.384 3.992 3.590 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.331 3.919 4.989 1.00 0.00 H new ATOM 0 HG2 MET A 81 121.311 4.711 6.416 1.00 0.00 H new ATOM 0 HG3 MET A 81 122.209 4.957 4.931 1.00 0.00 H new ATOM 0 HE1 MET A 81 121.617 8.500 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 81 121.073 7.548 7.209 1.00 0.00 H new ATOM 0 HE3 MET A 81 122.474 7.006 6.255 1.00 0.00 H new ATOM 1362 N GLU A 82 119.951 2.219 7.220 1.00 0.00 N ATOM 1363 CA GLU A 82 120.003 2.051 8.700 1.00 0.00 C ATOM 1364 C GLU A 82 120.782 0.781 9.050 1.00 0.00 C ATOM 1365 O GLU A 82 121.665 0.792 9.884 1.00 0.00 O ATOM 1366 CB GLU A 82 118.544 1.925 9.139 1.00 0.00 C ATOM 1367 CG GLU A 82 118.459 2.059 10.662 1.00 0.00 C ATOM 1368 CD GLU A 82 117.124 1.496 11.151 1.00 0.00 C ATOM 1369 OE1 GLU A 82 116.293 1.180 10.315 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.955 1.389 12.355 1.00 0.00 O ATOM 0 H GLU A 82 119.014 2.253 6.819 1.00 0.00 H new ATOM 0 HA GLU A 82 120.503 2.883 9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.941 2.696 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.140 0.963 8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 82 119.285 1.524 11.131 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.552 3.106 10.951 1.00 0.00 H new ATOM 1377 N TYR A 83 120.461 -0.312 8.414 1.00 0.00 N ATOM 1378 CA TYR A 83 121.179 -1.583 8.701 1.00 0.00 C ATOM 1379 C TYR A 83 122.688 -1.386 8.536 1.00 0.00 C ATOM 1380 O TYR A 83 123.479 -1.935 9.277 1.00 0.00 O ATOM 1381 CB TYR A 83 120.651 -2.571 7.662 1.00 0.00 C ATOM 1382 CG TYR A 83 121.031 -3.972 8.069 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.324 -4.445 7.824 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.089 -4.796 8.693 1.00 0.00 C ATOM 1385 CE1 TYR A 83 122.677 -5.745 8.204 1.00 0.00 C ATOM 1386 CE2 TYR A 83 120.441 -6.096 9.074 1.00 0.00 C ATOM 1387 CZ TYR A 83 121.736 -6.571 8.830 1.00 0.00 C ATOM 1388 OH TYR A 83 122.085 -7.852 9.206 1.00 0.00 O ATOM 0 H TYR A 83 119.730 -0.378 7.706 1.00 0.00 H new ATOM 0 HA TYR A 83 121.015 -1.933 9.720 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.568 -2.485 7.579 1.00 0.00 H new ATOM 0 HB3 TYR A 83 121.065 -2.340 6.680 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.050 -3.807 7.342 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.091 -4.430 8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 83 123.675 -6.111 8.014 1.00 0.00 H new ATOM 0 HE2 TYR A 83 119.714 -6.733 9.556 1.00 0.00 H new ATOM 0 HH TYR A 83 121.316 -8.290 9.628 1.00 0.00 H new ATOM 1398 N LEU A 84 123.093 -0.609 7.568 1.00 0.00 N ATOM 1399 CA LEU A 84 124.551 -0.383 7.358 1.00 0.00 C ATOM 1400 C LEU A 84 125.096 0.560 8.436 1.00 0.00 C ATOM 1401 O LEU A 84 126.254 0.499 8.799 1.00 0.00 O ATOM 1402 CB LEU A 84 124.677 0.258 5.969 1.00 0.00 C ATOM 1403 CG LEU A 84 123.666 -0.366 4.993 1.00 0.00 C ATOM 1404 CD1 LEU A 84 124.105 -0.086 3.554 1.00 0.00 C ATOM 1405 CD2 LEU A 84 123.582 -1.882 5.212 1.00 0.00 C ATOM 0 H LEU A 84 122.479 -0.122 6.915 1.00 0.00 H new ATOM 0 HA LEU A 84 125.120 -1.311 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 84 124.506 1.332 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.690 0.121 5.590 1.00 0.00 H new ATOM 0 HG LEU A 84 122.685 0.074 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.388 -0.528 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 84 124.150 0.991 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 84 125.090 -0.521 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 84 122.863 -2.311 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 84 124.562 -2.329 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.262 -2.085 6.234 1.00 0.00 H new ATOM 1417 N ILE A 85 124.273 1.430 8.955 1.00 0.00 N ATOM 1418 CA ILE A 85 124.756 2.368 10.010 1.00 0.00 C ATOM 1419 C ILE A 85 125.024 1.601 11.309 1.00 0.00 C ATOM 1420 O ILE A 85 125.825 2.009 12.127 1.00 0.00 O ATOM 1421 CB ILE A 85 123.621 3.376 10.206 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.524 4.283 8.978 1.00 0.00 C ATOM 1423 CG2 ILE A 85 123.902 4.233 11.443 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.453 5.350 9.216 1.00 0.00 C ATOM 0 H ILE A 85 123.292 1.532 8.696 1.00 0.00 H new ATOM 0 HA ILE A 85 125.687 2.860 9.729 1.00 0.00 H new ATOM 0 HB ILE A 85 122.683 2.838 10.340 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.487 4.756 8.785 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.275 3.693 8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.093 4.950 11.580 1.00 0.00 H new ATOM 0 HG22 ILE A 85 123.972 3.592 12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.842 4.768 11.309 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.383 5.997 8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.491 4.868 9.388 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.721 5.947 10.088 1.00 0.00 H new ATOM 1436 N LYS A 86 124.358 0.496 11.506 1.00 0.00 N ATOM 1437 CA LYS A 86 124.574 -0.291 12.753 1.00 0.00 C ATOM 1438 C LYS A 86 125.714 -1.296 12.559 1.00 0.00 C ATOM 1439 O LYS A 86 126.771 -1.171 13.144 1.00 0.00 O ATOM 1440 CB LYS A 86 123.254 -1.023 12.996 1.00 0.00 C ATOM 1441 CG LYS A 86 122.105 -0.014 13.025 1.00 0.00 C ATOM 1442 CD LYS A 86 121.165 -0.346 14.185 1.00 0.00 C ATOM 1443 CE LYS A 86 121.603 0.421 15.436 1.00 0.00 C ATOM 1444 NZ LYS A 86 120.837 1.697 15.392 1.00 0.00 N ATOM 0 H LYS A 86 123.674 0.105 10.858 1.00 0.00 H new ATOM 0 HA LYS A 86 124.851 0.344 13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.085 -1.759 12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.297 -1.568 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 86 122.497 0.997 13.138 1.00 0.00 H new ATOM 0 HG3 LYS A 86 121.560 -0.040 12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 86 120.141 -0.081 13.924 1.00 0.00 H new ATOM 0 HD3 LYS A 86 121.177 -1.418 14.381 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.381 -0.142 16.342 1.00 0.00 H new ATOM 0 HE3 LYS A 86 122.677 0.605 15.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 121.083 2.278 16.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 121.074 2.214 14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 119.818 1.491 15.405 1.00 0.00 H new ATOM 1458 N THR A 87 125.506 -2.294 11.745 1.00 0.00 N ATOM 1459 CA THR A 87 126.576 -3.308 11.519 1.00 0.00 C ATOM 1460 C THR A 87 127.394 -2.956 10.271 1.00 0.00 C ATOM 1461 O THR A 87 128.523 -3.375 10.121 1.00 0.00 O ATOM 1462 CB THR A 87 125.833 -4.628 11.317 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.771 -5.693 11.254 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.031 -4.572 10.016 1.00 0.00 C ATOM 0 H THR A 87 124.642 -2.452 11.226 1.00 0.00 H new ATOM 0 HA THR A 87 127.278 -3.356 12.351 1.00 0.00 H new ATOM 0 HB THR A 87 125.152 -4.793 12.152 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.296 -6.540 11.126 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.502 -5.514 9.874 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.311 -3.756 10.067 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.708 -4.406 9.178 1.00 0.00 H new ATOM 1472 N GLY A 88 126.833 -2.192 9.375 1.00 0.00 N ATOM 1473 CA GLY A 88 127.583 -1.823 8.141 1.00 0.00 C ATOM 1474 C GLY A 88 128.990 -1.351 8.516 1.00 0.00 C ATOM 1475 O GLY A 88 129.955 -2.074 8.368 1.00 0.00 O ATOM 0 H GLY A 88 125.890 -1.808 9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.643 -2.680 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.055 -1.035 7.605 1.00 0.00 H new ATOM 1479 N SER A 89 129.117 -0.146 8.999 1.00 0.00 N ATOM 1480 CA SER A 89 130.466 0.364 9.380 1.00 0.00 C ATOM 1481 C SER A 89 130.357 1.782 9.948 1.00 0.00 C ATOM 1482 O SER A 89 129.314 2.403 9.902 1.00 0.00 O ATOM 1483 CB SER A 89 131.270 0.370 8.082 1.00 0.00 C ATOM 1484 OG SER A 89 131.045 1.594 7.395 1.00 0.00 O ATOM 0 H SER A 89 128.347 0.507 9.146 1.00 0.00 H new ATOM 0 HA SER A 89 130.935 -0.251 10.148 1.00 0.00 H new ATOM 0 HB2 SER A 89 132.332 0.251 8.298 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.976 -0.472 7.455 1.00 0.00 H new ATOM 0 HG SER A 89 131.283 1.487 6.450 1.00 0.00 H new ATOM 1490 N GLU A 90 131.430 2.298 10.484 1.00 0.00 N ATOM 1491 CA GLU A 90 131.391 3.676 11.054 1.00 0.00 C ATOM 1492 C GLU A 90 131.296 4.711 9.930 1.00 0.00 C ATOM 1493 O GLU A 90 131.004 5.868 10.161 1.00 0.00 O ATOM 1494 CB GLU A 90 132.707 3.827 11.815 1.00 0.00 C ATOM 1495 CG GLU A 90 132.626 3.058 13.135 1.00 0.00 C ATOM 1496 CD GLU A 90 132.565 4.047 14.300 1.00 0.00 C ATOM 1497 OE1 GLU A 90 133.379 4.956 14.323 1.00 0.00 O ATOM 1498 OE2 GLU A 90 131.707 3.879 15.150 1.00 0.00 O ATOM 0 H GLU A 90 132.331 1.826 10.552 1.00 0.00 H new ATOM 0 HA GLU A 90 130.527 3.832 11.701 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.533 3.449 11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.909 4.881 12.008 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.744 2.418 13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.493 2.407 13.242 1.00 0.00 H new ATOM 1505 N ARG A 91 131.540 4.304 8.714 1.00 0.00 N ATOM 1506 CA ARG A 91 131.462 5.264 7.578 1.00 0.00 C ATOM 1507 C ARG A 91 130.002 5.481 7.176 1.00 0.00 C ATOM 1508 O ARG A 91 129.582 6.589 6.903 1.00 0.00 O ATOM 1509 CB ARG A 91 132.240 4.597 6.443 1.00 0.00 C ATOM 1510 CG ARG A 91 133.717 4.499 6.826 1.00 0.00 C ATOM 1511 CD ARG A 91 134.428 5.805 6.462 1.00 0.00 C ATOM 1512 NE ARG A 91 135.596 5.876 7.383 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.392 6.909 7.347 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.699 7.458 6.204 1.00 0.00 N ATOM 1515 NH2 ARG A 91 136.883 7.394 8.455 1.00 0.00 N ATOM 0 H ARG A 91 131.790 3.349 8.459 1.00 0.00 H new ATOM 0 HA ARG A 91 131.872 6.242 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.837 3.603 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.129 5.173 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.814 4.305 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 91 134.183 3.662 6.307 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.747 5.804 5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.769 6.663 6.593 1.00 0.00 H new ATOM 0 HE ARG A 91 135.774 5.118 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 91 136.317 7.080 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.321 8.266 6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 91 136.644 6.965 9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 91 137.505 8.202 8.427 1.00 0.00 H new ATOM 1529 N VAL A 92 129.224 4.435 7.142 1.00 0.00 N ATOM 1530 CA VAL A 92 127.791 4.589 6.762 1.00 0.00 C ATOM 1531 C VAL A 92 127.114 5.605 7.686 1.00 0.00 C ATOM 1532 O VAL A 92 126.233 6.336 7.280 1.00 0.00 O ATOM 1533 CB VAL A 92 127.179 3.198 6.940 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.679 3.263 6.647 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.844 2.218 5.969 1.00 0.00 C ATOM 0 H VAL A 92 129.517 3.483 7.360 1.00 0.00 H new ATOM 0 HA VAL A 92 127.666 4.954 5.742 1.00 0.00 H new ATOM 0 HB VAL A 92 127.338 2.859 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.240 2.273 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.204 3.961 7.336 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.523 3.601 5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.408 1.227 6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.685 2.556 4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.914 2.172 6.174 1.00 0.00 H new ATOM 1545 N SER A 93 127.527 5.663 8.924 1.00 0.00 N ATOM 1546 CA SER A 93 126.915 6.641 9.868 1.00 0.00 C ATOM 1547 C SER A 93 127.452 8.045 9.582 1.00 0.00 C ATOM 1548 O SER A 93 126.722 9.017 9.600 1.00 0.00 O ATOM 1549 CB SER A 93 127.345 6.177 11.260 1.00 0.00 C ATOM 1550 OG SER A 93 127.394 7.297 12.134 1.00 0.00 O ATOM 0 H SER A 93 128.261 5.076 9.321 1.00 0.00 H new ATOM 0 HA SER A 93 125.830 6.685 9.774 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.644 5.434 11.641 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.322 5.697 11.210 1.00 0.00 H new ATOM 0 HG SER A 93 127.668 7.003 13.028 1.00 0.00 H new ATOM 1556 N GLN A 94 128.724 8.157 9.312 1.00 0.00 N ATOM 1557 CA GLN A 94 129.308 9.495 9.018 1.00 0.00 C ATOM 1558 C GLN A 94 128.576 10.133 7.839 1.00 0.00 C ATOM 1559 O GLN A 94 128.041 11.220 7.939 1.00 0.00 O ATOM 1560 CB GLN A 94 130.770 9.219 8.663 1.00 0.00 C ATOM 1561 CG GLN A 94 131.549 8.886 9.936 1.00 0.00 C ATOM 1562 CD GLN A 94 132.579 9.983 10.208 1.00 0.00 C ATOM 1563 OE1 GLN A 94 132.325 10.896 10.969 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.740 9.934 9.613 1.00 0.00 N ATOM 0 H GLN A 94 129.383 7.379 9.282 1.00 0.00 H new ATOM 0 HA GLN A 94 129.220 10.184 9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.834 8.391 7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.207 10.089 8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.865 8.798 10.780 1.00 0.00 H new ATOM 0 HG3 GLN A 94 132.048 7.923 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.954 9.168 8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.433 10.662 9.787 1.00 0.00 H new ATOM 1573 N GLN A 95 128.542 9.462 6.726 1.00 0.00 N ATOM 1574 CA GLN A 95 127.835 10.022 5.540 1.00 0.00 C ATOM 1575 C GLN A 95 126.408 10.409 5.930 1.00 0.00 C ATOM 1576 O GLN A 95 125.887 11.419 5.498 1.00 0.00 O ATOM 1577 CB GLN A 95 127.826 8.894 4.508 1.00 0.00 C ATOM 1578 CG GLN A 95 127.152 9.382 3.224 1.00 0.00 C ATOM 1579 CD GLN A 95 127.690 8.591 2.030 1.00 0.00 C ATOM 1580 OE1 GLN A 95 126.930 8.028 1.268 1.00 0.00 O ATOM 1581 NE2 GLN A 95 128.979 8.525 1.832 1.00 0.00 N ATOM 0 H GLN A 95 128.973 8.549 6.583 1.00 0.00 H new ATOM 0 HA GLN A 95 128.318 10.917 5.149 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.846 8.572 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.295 8.029 4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.072 9.258 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 95 127.342 10.446 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 95 129.618 8.997 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 95 129.347 8.001 1.038 1.00 0.00 H new ATOM 1590 N CYS A 96 125.775 9.616 6.751 1.00 0.00 N ATOM 1591 CA CYS A 96 124.385 9.945 7.178 1.00 0.00 C ATOM 1592 C CYS A 96 124.348 11.352 7.770 1.00 0.00 C ATOM 1593 O CYS A 96 123.467 12.138 7.483 1.00 0.00 O ATOM 1594 CB CYS A 96 124.036 8.902 8.240 1.00 0.00 C ATOM 1595 SG CYS A 96 122.301 9.088 8.720 1.00 0.00 S ATOM 0 H CYS A 96 126.159 8.757 7.144 1.00 0.00 H new ATOM 0 HA CYS A 96 123.677 9.926 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.211 7.899 7.851 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.680 9.024 9.111 1.00 0.00 H new ATOM 0 HG CYS A 96 121.915 10.308 8.490 1.00 0.00 H new ATOM 1601 N LYS A 97 125.307 11.678 8.591 1.00 0.00 N ATOM 1602 CA LYS A 97 125.339 13.039 9.197 1.00 0.00 C ATOM 1603 C LYS A 97 125.565 14.084 8.104 1.00 0.00 C ATOM 1604 O LYS A 97 125.030 15.174 8.145 1.00 0.00 O ATOM 1605 CB LYS A 97 126.518 13.016 10.171 1.00 0.00 C ATOM 1606 CG LYS A 97 126.156 12.167 11.392 1.00 0.00 C ATOM 1607 CD LYS A 97 126.953 12.653 12.605 1.00 0.00 C ATOM 1608 CE LYS A 97 127.343 11.455 13.473 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.548 12.019 14.836 1.00 0.00 N ATOM 0 H LYS A 97 126.070 11.061 8.869 1.00 0.00 H new ATOM 0 HA LYS A 97 124.407 13.294 9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 97 127.401 12.607 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 97 126.767 14.031 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.087 12.238 11.594 1.00 0.00 H new ATOM 0 HG3 LYS A 97 126.375 11.117 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 97 127.847 13.184 12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 97 126.358 13.358 13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 97 126.561 10.696 13.473 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.250 10.978 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 127.818 11.257 15.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.303 12.734 14.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 126.666 12.461 15.165 1.00 0.00 H new ATOM 1623 N GLU A 98 126.353 13.750 7.120 1.00 0.00 N ATOM 1624 CA GLU A 98 126.618 14.709 6.010 1.00 0.00 C ATOM 1625 C GLU A 98 125.433 14.725 5.044 1.00 0.00 C ATOM 1626 O GLU A 98 125.320 15.588 4.196 1.00 0.00 O ATOM 1627 CB GLU A 98 127.871 14.170 5.319 1.00 0.00 C ATOM 1628 CG GLU A 98 128.997 14.030 6.342 1.00 0.00 C ATOM 1629 CD GLU A 98 130.281 13.592 5.634 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.201 13.243 4.468 1.00 0.00 O ATOM 1631 OE2 GLU A 98 131.322 13.614 6.270 1.00 0.00 O ATOM 0 H GLU A 98 126.827 12.851 7.036 1.00 0.00 H new ATOM 0 HA GLU A 98 126.756 15.731 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.659 13.204 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.175 14.843 4.517 1.00 0.00 H new ATOM 0 HG2 GLU A 98 129.157 14.979 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 98 128.722 13.300 7.103 1.00 0.00 H new ATOM 1638 N ASN A 99 124.549 13.775 5.170 1.00 0.00 N ATOM 1639 CA ASN A 99 123.367 13.726 4.268 1.00 0.00 C ATOM 1640 C ASN A 99 122.097 13.469 5.079 1.00 0.00 C ATOM 1641 O ASN A 99 121.156 12.867 4.602 1.00 0.00 O ATOM 1642 CB ASN A 99 123.641 12.564 3.314 1.00 0.00 C ATOM 1643 CG ASN A 99 124.934 12.830 2.544 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.961 12.248 2.836 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.930 13.693 1.565 1.00 0.00 N ATOM 0 H ASN A 99 124.595 13.027 5.862 1.00 0.00 H new ATOM 0 HA ASN A 99 123.217 14.663 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 99 123.724 11.632 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.809 12.446 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 99 125.788 13.879 1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 99 124.069 14.182 1.319 1.00 0.00 H new ATOM 1652 N MET A 100 122.061 13.918 6.304 1.00 0.00 N ATOM 1653 CA MET A 100 120.849 13.697 7.142 1.00 0.00 C ATOM 1654 C MET A 100 119.646 14.410 6.521 1.00 0.00 C ATOM 1655 O MET A 100 118.511 14.034 6.733 1.00 0.00 O ATOM 1656 CB MET A 100 121.189 14.300 8.506 1.00 0.00 C ATOM 1657 CG MET A 100 121.334 15.818 8.374 1.00 0.00 C ATOM 1658 SD MET A 100 122.520 16.418 9.602 1.00 0.00 S ATOM 1659 CE MET A 100 122.828 18.035 8.851 1.00 0.00 C ATOM 0 H MET A 100 122.818 14.428 6.760 1.00 0.00 H new ATOM 0 HA MET A 100 120.588 12.642 7.222 1.00 0.00 H new ATOM 0 HB2 MET A 100 120.407 14.060 9.226 1.00 0.00 H new ATOM 0 HB3 MET A 100 122.115 13.868 8.886 1.00 0.00 H new ATOM 0 HG2 MET A 100 121.671 16.076 7.370 1.00 0.00 H new ATOM 0 HG3 MET A 100 120.368 16.301 8.520 1.00 0.00 H new ATOM 0 HE1 MET A 100 123.844 18.356 9.081 1.00 0.00 H new ATOM 0 HE2 MET A 100 122.707 17.963 7.770 1.00 0.00 H new ATOM 0 HE3 MET A 100 122.119 18.762 9.248 1.00 0.00 H new ATOM 1669 N TYR A 101 119.886 15.436 5.750 1.00 0.00 N ATOM 1670 CA TYR A 101 118.756 16.170 5.112 1.00 0.00 C ATOM 1671 C TYR A 101 118.044 15.262 4.105 1.00 0.00 C ATOM 1672 O TYR A 101 116.887 15.455 3.790 1.00 0.00 O ATOM 1673 CB TYR A 101 119.406 17.358 4.400 1.00 0.00 C ATOM 1674 CG TYR A 101 119.462 18.539 5.339 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.706 18.338 6.702 1.00 0.00 C ATOM 1676 CD2 TYR A 101 119.268 19.835 4.847 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.757 19.433 7.574 1.00 0.00 C ATOM 1678 CE2 TYR A 101 119.319 20.930 5.718 1.00 0.00 C ATOM 1679 CZ TYR A 101 119.563 20.729 7.081 1.00 0.00 C ATOM 1680 OH TYR A 101 119.612 21.808 7.940 1.00 0.00 O ATOM 0 H TYR A 101 120.815 15.797 5.535 1.00 0.00 H new ATOM 0 HA TYR A 101 118.008 16.492 5.836 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.411 17.093 4.072 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.837 17.616 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 101 119.855 17.338 7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 101 119.079 19.990 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 101 119.946 19.278 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 101 119.170 21.930 5.338 1.00 0.00 H new ATOM 0 HH TYR A 101 119.458 22.634 7.436 1.00 0.00 H new ATOM 1690 N ALA A 102 118.729 14.272 3.602 1.00 0.00 N ATOM 1691 CA ALA A 102 118.099 13.347 2.617 1.00 0.00 C ATOM 1692 C ALA A 102 117.202 12.339 3.338 1.00 0.00 C ATOM 1693 O ALA A 102 116.120 12.018 2.886 1.00 0.00 O ATOM 1694 CB ALA A 102 119.270 12.633 1.942 1.00 0.00 C ATOM 0 H ALA A 102 119.701 14.063 3.831 1.00 0.00 H new ATOM 0 HA ALA A 102 117.472 13.874 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 102 118.889 11.931 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 102 119.910 13.367 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.847 12.091 2.692 1.00 0.00 H new ATOM 1700 N VAL A 103 117.644 11.838 4.456 1.00 0.00 N ATOM 1701 CA VAL A 103 116.822 10.851 5.212 1.00 0.00 C ATOM 1702 C VAL A 103 115.626 11.550 5.864 1.00 0.00 C ATOM 1703 O VAL A 103 114.594 10.951 6.093 1.00 0.00 O ATOM 1704 CB VAL A 103 117.760 10.288 6.279 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.149 9.021 6.880 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.110 9.948 5.642 1.00 0.00 C ATOM 0 H VAL A 103 118.542 12.069 4.881 1.00 0.00 H new ATOM 0 HA VAL A 103 116.421 10.068 4.568 1.00 0.00 H new ATOM 0 HB VAL A 103 117.903 11.030 7.064 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.818 8.620 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.187 9.261 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.006 8.278 6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.780 9.546 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.965 9.206 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.547 10.850 5.213 1.00 0.00 H new ATOM 1716 N GLN A 104 115.759 12.812 6.166 1.00 0.00 N ATOM 1717 CA GLN A 104 114.633 13.549 6.805 1.00 0.00 C ATOM 1718 C GLN A 104 113.689 14.109 5.738 1.00 0.00 C ATOM 1719 O GLN A 104 112.506 14.265 5.962 1.00 0.00 O ATOM 1720 CB GLN A 104 115.297 14.685 7.584 1.00 0.00 C ATOM 1721 CG GLN A 104 116.161 14.103 8.703 1.00 0.00 C ATOM 1722 CD GLN A 104 115.361 14.080 10.006 1.00 0.00 C ATOM 1723 OE1 GLN A 104 115.305 13.071 10.681 1.00 0.00 O ATOM 1724 NE2 GLN A 104 114.733 15.157 10.392 1.00 0.00 N ATOM 0 H GLN A 104 116.599 13.365 5.998 1.00 0.00 H new ATOM 0 HA GLN A 104 114.033 12.907 7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.910 15.289 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.537 15.345 8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.481 13.094 8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.064 14.701 8.829 1.00 0.00 H new ATOM 0 HE21 GLN A 104 114.779 16.005 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 104 114.196 15.151 11.259 1.00 0.00 H new ATOM 1733 N THR A 105 114.204 14.413 4.578 1.00 0.00 N ATOM 1734 CA THR A 105 113.337 14.964 3.498 1.00 0.00 C ATOM 1735 C THR A 105 112.195 13.992 3.188 1.00 0.00 C ATOM 1736 O THR A 105 111.192 14.361 2.612 1.00 0.00 O ATOM 1737 CB THR A 105 114.257 15.114 2.285 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.603 15.889 1.290 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.591 13.733 1.721 1.00 0.00 C ATOM 0 H THR A 105 115.188 14.304 4.331 1.00 0.00 H new ATOM 0 HA THR A 105 112.880 15.912 3.781 1.00 0.00 H new ATOM 0 HB THR A 105 115.178 15.612 2.587 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.192 15.987 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.246 13.842 0.857 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.093 13.140 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.672 13.232 1.418 1.00 0.00 H new ATOM 1747 N LEU A 106 112.342 12.751 3.564 1.00 0.00 N ATOM 1748 CA LEU A 106 111.265 11.758 3.291 1.00 0.00 C ATOM 1749 C LEU A 106 110.033 12.063 4.148 1.00 0.00 C ATOM 1750 O LEU A 106 108.910 11.970 3.694 1.00 0.00 O ATOM 1751 CB LEU A 106 111.866 10.405 3.674 1.00 0.00 C ATOM 1752 CG LEU A 106 112.709 9.874 2.514 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.432 8.597 2.946 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.797 9.565 1.324 1.00 0.00 C ATOM 0 H LEU A 106 113.161 12.382 4.048 1.00 0.00 H new ATOM 0 HA LEU A 106 110.939 11.778 2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.482 10.509 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.072 9.698 3.914 1.00 0.00 H new ATOM 0 HG LEU A 106 113.444 10.626 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.032 8.221 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.081 8.815 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.699 7.844 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.396 9.186 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.062 8.814 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.283 10.475 1.014 1.00 0.00 H new ATOM 1766 N LYS A 107 110.235 12.428 5.385 1.00 0.00 N ATOM 1767 CA LYS A 107 109.074 12.742 6.268 1.00 0.00 C ATOM 1768 C LYS A 107 108.161 13.770 5.595 1.00 0.00 C ATOM 1769 O LYS A 107 107.003 13.904 5.935 1.00 0.00 O ATOM 1770 CB LYS A 107 109.693 13.321 7.541 1.00 0.00 C ATOM 1771 CG LYS A 107 108.605 14.002 8.375 1.00 0.00 C ATOM 1772 CD LYS A 107 109.116 14.219 9.801 1.00 0.00 C ATOM 1773 CE LYS A 107 110.011 15.461 9.840 1.00 0.00 C ATOM 1774 NZ LYS A 107 109.092 16.586 10.169 1.00 0.00 N ATOM 0 H LYS A 107 111.152 12.522 5.822 1.00 0.00 H new ATOM 0 HA LYS A 107 108.461 11.865 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 107 110.167 12.529 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.472 14.039 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.332 14.957 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.705 13.387 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.276 14.341 10.485 1.00 0.00 H new ATOM 0 HD3 LYS A 107 109.674 13.345 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.795 15.359 10.590 1.00 0.00 H new ATOM 0 HE3 LYS A 107 110.505 15.622 8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 109.632 17.474 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 108.360 16.663 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.641 16.408 11.089 1.00 0.00 H new ATOM 1987 N VAL A 121 102.665 6.052 5.055 1.00 0.00 N ATOM 1988 CA VAL A 121 103.295 6.875 6.127 1.00 0.00 C ATOM 1989 C VAL A 121 104.492 6.134 6.722 1.00 0.00 C ATOM 1990 O VAL A 121 105.528 6.714 6.981 1.00 0.00 O ATOM 1991 CB VAL A 121 102.199 7.055 7.180 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.063 5.781 8.021 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.559 8.230 8.090 1.00 0.00 C ATOM 0 HA VAL A 121 103.664 7.830 5.754 1.00 0.00 H new ATOM 0 HB VAL A 121 101.251 7.253 6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.281 5.919 8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.803 4.944 7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.009 5.573 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.780 8.361 8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.510 8.029 8.584 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.644 9.139 7.494 1.00 0.00 H new ATOM 2003 N ASN A 122 104.341 4.858 6.942 1.00 0.00 N ATOM 2004 CA ASN A 122 105.452 4.049 7.527 1.00 0.00 C ATOM 2005 C ASN A 122 106.807 4.527 6.994 1.00 0.00 C ATOM 2006 O ASN A 122 107.814 4.437 7.665 1.00 0.00 O ATOM 2007 CB ASN A 122 105.176 2.615 7.070 1.00 0.00 C ATOM 2008 CG ASN A 122 104.692 1.784 8.260 1.00 0.00 C ATOM 2009 OD1 ASN A 122 105.485 1.320 9.055 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.413 1.576 8.418 1.00 0.00 N ATOM 0 H ASN A 122 103.489 4.335 6.741 1.00 0.00 H new ATOM 0 HA ASN A 122 105.494 4.136 8.613 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.424 2.612 6.281 1.00 0.00 H new ATOM 0 HB3 ASN A 122 106.081 2.175 6.650 1.00 0.00 H new ATOM 0 HD21 ASN A 122 103.080 1.024 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.747 1.965 7.751 1.00 0.00 H new ATOM 2017 N VAL A 123 106.835 5.036 5.794 1.00 0.00 N ATOM 2018 CA VAL A 123 108.122 5.523 5.220 1.00 0.00 C ATOM 2019 C VAL A 123 108.545 6.831 5.898 1.00 0.00 C ATOM 2020 O VAL A 123 109.582 6.907 6.526 1.00 0.00 O ATOM 2021 CB VAL A 123 107.824 5.751 3.736 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.882 6.677 3.131 1.00 0.00 C ATOM 2023 CG2 VAL A 123 107.850 4.408 3.001 1.00 0.00 C ATOM 0 H VAL A 123 106.023 5.136 5.185 1.00 0.00 H new ATOM 0 HA VAL A 123 108.939 4.817 5.369 1.00 0.00 H new ATOM 0 HB VAL A 123 106.841 6.210 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.665 6.836 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.869 7.634 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.867 6.221 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 123 107.638 4.568 1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 123 108.835 3.953 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.096 3.746 3.426 1.00 0.00 H new ATOM 2033 N ARG A 124 107.754 7.860 5.771 1.00 0.00 N ATOM 2034 CA ARG A 124 108.116 9.162 6.403 1.00 0.00 C ATOM 2035 C ARG A 124 108.620 8.947 7.831 1.00 0.00 C ATOM 2036 O ARG A 124 109.597 9.535 8.251 1.00 0.00 O ATOM 2037 CB ARG A 124 106.819 9.971 6.411 1.00 0.00 C ATOM 2038 CG ARG A 124 106.685 10.737 5.094 1.00 0.00 C ATOM 2039 CD ARG A 124 105.264 10.577 4.554 1.00 0.00 C ATOM 2040 NE ARG A 124 104.382 11.085 5.640 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.306 11.762 5.345 1.00 0.00 C ATOM 2042 NH1 ARG A 124 102.757 11.633 4.169 1.00 0.00 N ATOM 2043 NH2 ARG A 124 102.781 12.567 6.227 1.00 0.00 N ATOM 0 H ARG A 124 106.873 7.857 5.257 1.00 0.00 H new ATOM 0 HA ARG A 124 108.915 9.670 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 124 105.965 9.307 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.818 10.667 7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.910 11.792 5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 124 107.406 10.362 4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.125 11.145 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 124 105.045 9.535 4.322 1.00 0.00 H new ATOM 0 HE ARG A 124 104.619 10.904 6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.169 11.003 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 124 101.916 12.162 3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.211 12.667 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 124 101.940 13.097 5.997 1.00 0.00 H new ATOM 2057 N GLU A 125 107.957 8.115 8.582 1.00 0.00 N ATOM 2058 CA GLU A 125 108.394 7.870 9.988 1.00 0.00 C ATOM 2059 C GLU A 125 109.637 6.976 10.021 1.00 0.00 C ATOM 2060 O GLU A 125 110.476 7.098 10.891 1.00 0.00 O ATOM 2061 CB GLU A 125 107.209 7.168 10.654 1.00 0.00 C ATOM 2062 CG GLU A 125 106.967 5.816 9.979 1.00 0.00 C ATOM 2063 CD GLU A 125 105.971 5.003 10.806 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.891 5.509 11.064 1.00 0.00 O ATOM 2065 OE2 GLU A 125 106.303 3.886 11.168 1.00 0.00 O ATOM 0 H GLU A 125 107.132 7.593 8.286 1.00 0.00 H new ATOM 0 HA GLU A 125 108.663 8.795 10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.408 7.025 11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 125 106.316 7.789 10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.582 5.965 8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 125 107.907 5.272 9.884 1.00 0.00 H new ATOM 2072 N LYS A 126 109.767 6.077 9.084 1.00 0.00 N ATOM 2073 CA LYS A 126 110.962 5.183 9.075 1.00 0.00 C ATOM 2074 C LYS A 126 112.239 6.008 8.907 1.00 0.00 C ATOM 2075 O LYS A 126 113.168 5.898 9.682 1.00 0.00 O ATOM 2076 CB LYS A 126 110.759 4.257 7.876 1.00 0.00 C ATOM 2077 CG LYS A 126 111.844 3.179 7.875 1.00 0.00 C ATOM 2078 CD LYS A 126 111.954 2.565 9.273 1.00 0.00 C ATOM 2079 CE LYS A 126 112.605 1.184 9.174 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.945 0.822 10.578 1.00 0.00 N ATOM 0 H LYS A 126 109.101 5.922 8.327 1.00 0.00 H new ATOM 0 HA LYS A 126 111.065 4.625 10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.773 3.795 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.800 4.830 6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.603 2.406 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.800 3.611 7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 126 112.546 3.212 9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.965 2.481 9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 126 111.924 0.457 8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.495 1.210 8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.397 -0.115 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 113.599 1.529 10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 112.077 0.798 11.150 1.00 0.00 H new ATOM 2094 N ALA A 127 112.291 6.835 7.900 1.00 0.00 N ATOM 2095 CA ALA A 127 113.507 7.669 7.679 1.00 0.00 C ATOM 2096 C ALA A 127 113.785 8.538 8.909 1.00 0.00 C ATOM 2097 O ALA A 127 114.914 8.698 9.324 1.00 0.00 O ATOM 2098 CB ALA A 127 113.169 8.541 6.470 1.00 0.00 C ATOM 0 H ALA A 127 111.543 6.970 7.219 1.00 0.00 H new ATOM 0 HA ALA A 127 114.399 7.065 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 127 114.016 9.188 6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.954 7.905 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.296 9.153 6.696 1.00 0.00 H new ATOM 2104 N LYS A 128 112.762 9.102 9.494 1.00 0.00 N ATOM 2105 CA LYS A 128 112.975 9.961 10.695 1.00 0.00 C ATOM 2106 C LYS A 128 113.637 9.153 11.816 1.00 0.00 C ATOM 2107 O LYS A 128 114.482 9.649 12.535 1.00 0.00 O ATOM 2108 CB LYS A 128 111.575 10.408 11.116 1.00 0.00 C ATOM 2109 CG LYS A 128 111.622 11.865 11.580 1.00 0.00 C ATOM 2110 CD LYS A 128 110.375 12.178 12.410 1.00 0.00 C ATOM 2111 CE LYS A 128 110.516 13.564 13.044 1.00 0.00 C ATOM 2112 NZ LYS A 128 111.758 13.488 13.864 1.00 0.00 N ATOM 0 H LYS A 128 111.792 9.006 9.194 1.00 0.00 H new ATOM 0 HA LYS A 128 113.629 10.807 10.484 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.882 10.303 10.281 1.00 0.00 H new ATOM 0 HB3 LYS A 128 111.205 9.771 11.919 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.520 12.040 12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 128 111.675 12.530 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.487 12.144 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 128 110.243 11.424 13.186 1.00 0.00 H new ATOM 0 HE2 LYS A 128 110.592 14.340 12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.650 13.806 13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 111.669 14.115 14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 111.901 12.510 14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 112.572 13.786 13.289 1.00 0.00 H new ATOM 2126 N GLN A 129 113.258 7.915 11.971 1.00 0.00 N ATOM 2127 CA GLN A 129 113.862 7.077 13.047 1.00 0.00 C ATOM 2128 C GLN A 129 115.367 6.910 12.819 1.00 0.00 C ATOM 2129 O GLN A 129 116.153 6.950 13.745 1.00 0.00 O ATOM 2130 CB GLN A 129 113.153 5.726 12.940 1.00 0.00 C ATOM 2131 CG GLN A 129 111.962 5.697 13.899 1.00 0.00 C ATOM 2132 CD GLN A 129 112.466 5.543 15.335 1.00 0.00 C ATOM 2133 OE1 GLN A 129 113.568 5.943 15.650 1.00 0.00 O ATOM 2134 NE2 GLN A 129 111.698 4.976 16.226 1.00 0.00 N ATOM 0 H GLN A 129 112.556 7.446 11.399 1.00 0.00 H new ATOM 0 HA GLN A 129 113.742 7.528 14.032 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.814 5.561 11.917 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.846 4.920 13.180 1.00 0.00 H new ATOM 0 HG2 GLN A 129 111.382 6.615 13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 129 111.297 4.871 13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 129 110.772 4.640 15.961 1.00 0.00 H new ATOM 0 HE22 GLN A 129 112.024 4.869 17.187 1.00 0.00 H new ATOM 2143 N LEU A 130 115.777 6.716 11.595 1.00 0.00 N ATOM 2144 CA LEU A 130 117.232 6.540 11.316 1.00 0.00 C ATOM 2145 C LEU A 130 118.013 7.789 11.733 1.00 0.00 C ATOM 2146 O LEU A 130 119.093 7.704 12.281 1.00 0.00 O ATOM 2147 CB LEU A 130 117.326 6.329 9.803 1.00 0.00 C ATOM 2148 CG LEU A 130 118.731 5.842 9.442 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.693 5.128 8.089 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.681 7.038 9.358 1.00 0.00 C ATOM 0 H LEU A 130 115.169 6.672 10.777 1.00 0.00 H new ATOM 0 HA LEU A 130 117.656 5.704 11.872 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.583 5.600 9.480 1.00 0.00 H new ATOM 0 HB3 LEU A 130 117.107 7.260 9.281 1.00 0.00 H new ATOM 0 HG LEU A 130 119.082 5.151 10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.694 4.781 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 130 118.017 4.275 8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 130 118.341 5.819 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.682 6.690 9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.329 7.729 8.592 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.710 7.548 10.321 1.00 0.00 H new ATOM 2162 N VAL A 131 117.473 8.946 11.477 1.00 0.00 N ATOM 2163 CA VAL A 131 118.183 10.202 11.854 1.00 0.00 C ATOM 2164 C VAL A 131 118.042 10.467 13.356 1.00 0.00 C ATOM 2165 O VAL A 131 118.859 11.136 13.956 1.00 0.00 O ATOM 2166 CB VAL A 131 117.490 11.303 11.051 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.972 12.670 11.540 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.831 11.141 9.568 1.00 0.00 C ATOM 0 H VAL A 131 116.570 9.078 11.022 1.00 0.00 H new ATOM 0 HA VAL A 131 119.251 10.149 11.642 1.00 0.00 H new ATOM 0 HB VAL A 131 116.411 11.229 11.186 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.478 13.456 10.968 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.731 12.784 12.597 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.051 12.745 11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.338 11.925 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.910 11.216 9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 131 117.488 10.166 9.220 1.00 0.00 H new ATOM 2178 N ALA A 132 117.010 9.952 13.966 1.00 0.00 N ATOM 2179 CA ALA A 132 116.817 10.182 15.427 1.00 0.00 C ATOM 2180 C ALA A 132 117.857 9.401 16.237 1.00 0.00 C ATOM 2181 O ALA A 132 118.546 9.950 17.073 1.00 0.00 O ATOM 2182 CB ALA A 132 115.409 9.665 15.725 1.00 0.00 C ATOM 0 H ALA A 132 116.293 9.383 13.517 1.00 0.00 H new ATOM 0 HA ALA A 132 116.935 11.232 15.695 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.189 9.799 16.784 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.684 10.221 15.131 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.349 8.606 15.473 1.00 0.00 H new ATOM 2188 N LEU A 133 117.973 8.123 15.999 1.00 0.00 N ATOM 2189 CA LEU A 133 118.965 7.310 16.761 1.00 0.00 C ATOM 2190 C LEU A 133 120.391 7.743 16.410 1.00 0.00 C ATOM 2191 O LEU A 133 121.319 7.519 17.160 1.00 0.00 O ATOM 2192 CB LEU A 133 118.719 5.868 16.318 1.00 0.00 C ATOM 2193 CG LEU A 133 119.230 5.680 14.888 1.00 0.00 C ATOM 2194 CD1 LEU A 133 120.731 5.388 14.916 1.00 0.00 C ATOM 2195 CD2 LEU A 133 118.497 4.507 14.235 1.00 0.00 C ATOM 0 H LEU A 133 117.425 7.607 15.311 1.00 0.00 H new ATOM 0 HA LEU A 133 118.855 7.431 17.839 1.00 0.00 H new ATOM 0 HB2 LEU A 133 119.227 5.178 16.991 1.00 0.00 H new ATOM 0 HB3 LEU A 133 117.655 5.637 16.369 1.00 0.00 H new ATOM 0 HG LEU A 133 119.047 6.589 14.315 1.00 0.00 H new ATOM 0 HD11 LEU A 133 121.095 5.254 13.897 1.00 0.00 H new ATOM 0 HD12 LEU A 133 121.255 6.222 15.382 1.00 0.00 H new ATOM 0 HD13 LEU A 133 120.914 4.479 15.489 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.861 4.373 13.216 1.00 0.00 H new ATOM 0 HD22 LEU A 133 118.681 3.599 14.809 1.00 0.00 H new ATOM 0 HD23 LEU A 133 117.427 4.713 14.214 1.00 0.00 H new ATOM 2207 N LEU A 134 120.572 8.356 15.274 1.00 0.00 N ATOM 2208 CA LEU A 134 121.940 8.797 14.876 1.00 0.00 C ATOM 2209 C LEU A 134 122.278 10.143 15.523 1.00 0.00 C ATOM 2210 O LEU A 134 123.119 10.230 16.394 1.00 0.00 O ATOM 2211 CB LEU A 134 121.885 8.931 13.353 1.00 0.00 C ATOM 2212 CG LEU A 134 122.810 7.893 12.716 1.00 0.00 C ATOM 2213 CD1 LEU A 134 122.004 7.003 11.769 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.912 8.606 11.928 1.00 0.00 C ATOM 0 H LEU A 134 119.834 8.571 14.604 1.00 0.00 H new ATOM 0 HA LEU A 134 122.708 8.093 15.197 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.863 8.788 13.001 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.187 9.935 13.054 1.00 0.00 H new ATOM 0 HG LEU A 134 123.259 7.280 13.498 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.664 6.263 11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 134 121.219 6.494 12.328 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.555 7.616 10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.571 7.866 11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.462 9.219 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.488 9.241 12.601 1.00 0.00 H new