USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 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 92:sc= 1.27 USER MOD Set 1.2: A 122 ASN : amide:sc= 0.911 X(o=2.2,f=1.8) USER MOD Set 2.1: A 100 MET CE :methyl 143:sc= -1.34 (180deg=-2.24!) USER MOD Set 2.2: A 104 GLN : amide:sc= -5.4! C(o=-6.7!,f=-4.5!) USER MOD Set 3.1: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc=-0.00213 (180deg=-0.0949) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.903 USER MOD Single : A 40 MET CE :methyl -143:sc= -1.18 (180deg=-2.12!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -75:sc= -4.18! USER MOD Single : A 48 TYR OH : rot 167:sc= 1.1 USER MOD Single : A 49 ASN : amide:sc= -0.158 K(o=-0.16,f=-3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 177:sc= -3.72! (180deg=-4.05!) USER MOD Single : A 58 SER OG : rot -97:sc= 0.553 USER MOD Single : A 65 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.2) USER MOD Single : A 73 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.15) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -135:sc= -10.7! (180deg=-13.2!) USER MOD Single : A 81 MET CE :methyl 178:sc= -7.24! (180deg=-7.49!) USER MOD Single : A 83 TYR OH : rot 180:sc= -1.55! USER MOD Single : A 86 LYS NZ :NH3+ -133:sc= 0.761 (180deg=-0.0534) USER MOD Single : A 87 THR OG1 : rot -37:sc= 0.0659 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -72:sc= 0.987 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -3.72! C(o=-3.7!,f=-8.2!) USER MOD Single : A 96 CYS SG : rot 71:sc= -2.27! USER MOD Single : A 97 LYS NZ :NH3+ -156:sc= -0.358 (180deg=-1.94!) USER MOD Single : A 99 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.058) 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 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.808 K(o=-0.81,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.763 -5.843 -6.192 1.00 0.00 N ATOM 356 CA GLU A 19 128.388 -6.417 -6.271 1.00 0.00 C ATOM 357 C GLU A 19 127.502 -5.828 -5.169 1.00 0.00 C ATOM 358 O GLU A 19 126.450 -6.352 -4.862 1.00 0.00 O ATOM 359 CB GLU A 19 128.575 -7.921 -6.064 1.00 0.00 C ATOM 360 CG GLU A 19 128.903 -8.584 -7.403 1.00 0.00 C ATOM 361 CD GLU A 19 127.609 -9.057 -8.071 1.00 0.00 C ATOM 362 OE1 GLU A 19 126.815 -9.691 -7.395 1.00 0.00 O ATOM 363 OE2 GLU A 19 127.435 -8.779 -9.246 1.00 0.00 O ATOM 0 HA GLU A 19 127.901 -6.193 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.378 -8.103 -5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.669 -8.356 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.423 -7.879 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.574 -9.429 -7.248 1.00 0.00 H new ATOM 370 N ALA A 20 127.918 -4.743 -4.574 1.00 0.00 N ATOM 371 CA ALA A 20 127.096 -4.125 -3.495 1.00 0.00 C ATOM 372 C ALA A 20 125.948 -3.317 -4.105 1.00 0.00 C ATOM 373 O ALA A 20 124.807 -3.449 -3.710 1.00 0.00 O ATOM 374 CB ALA A 20 128.057 -3.207 -2.740 1.00 0.00 C ATOM 0 H ALA A 20 128.790 -4.259 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 20 126.647 -4.870 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.525 -2.713 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 20 128.878 -3.796 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.454 -2.456 -3.423 1.00 0.00 H new ATOM 380 N GLU A 21 126.242 -2.482 -5.063 1.00 0.00 N ATOM 381 CA GLU A 21 125.168 -1.666 -5.696 1.00 0.00 C ATOM 382 C GLU A 21 123.969 -2.552 -6.052 1.00 0.00 C ATOM 383 O GLU A 21 122.835 -2.121 -6.019 1.00 0.00 O ATOM 384 CB GLU A 21 125.804 -1.091 -6.963 1.00 0.00 C ATOM 385 CG GLU A 21 126.034 -2.215 -7.974 1.00 0.00 C ATOM 386 CD GLU A 21 126.975 -1.727 -9.076 1.00 0.00 C ATOM 387 OE1 GLU A 21 128.084 -1.336 -8.751 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.571 -1.753 -10.227 1.00 0.00 O ATOM 0 H GLU A 21 127.179 -2.329 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 21 124.798 -0.884 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.156 -0.327 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.750 -0.607 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.461 -3.085 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.084 -2.530 -8.406 1.00 0.00 H new ATOM 395 N ILE A 22 124.214 -3.789 -6.390 1.00 0.00 N ATOM 396 CA ILE A 22 123.088 -4.701 -6.746 1.00 0.00 C ATOM 397 C ILE A 22 122.420 -5.236 -5.476 1.00 0.00 C ATOM 398 O ILE A 22 121.210 -5.293 -5.377 1.00 0.00 O ATOM 399 CB ILE A 22 123.737 -5.840 -7.533 1.00 0.00 C ATOM 400 CG1 ILE A 22 124.582 -5.255 -8.668 1.00 0.00 C ATOM 401 CG2 ILE A 22 122.648 -6.739 -8.120 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.577 -6.309 -9.158 1.00 0.00 C ATOM 0 H ILE A 22 125.143 -4.207 -6.435 1.00 0.00 H new ATOM 0 HA ILE A 22 122.313 -4.197 -7.323 1.00 0.00 H new ATOM 0 HB ILE A 22 124.373 -6.426 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 22 123.938 -4.938 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.115 -4.370 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.110 -7.551 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.044 -7.153 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.013 -6.154 -8.785 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.179 -5.893 -9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.228 -6.605 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.034 -7.181 -9.522 1.00 0.00 H new ATOM 414 N LYS A 23 123.198 -5.629 -4.505 1.00 0.00 N ATOM 415 CA LYS A 23 122.605 -6.159 -3.243 1.00 0.00 C ATOM 416 C LYS A 23 121.676 -5.116 -2.617 1.00 0.00 C ATOM 417 O LYS A 23 120.707 -5.446 -1.963 1.00 0.00 O ATOM 418 CB LYS A 23 123.800 -6.434 -2.329 1.00 0.00 C ATOM 419 CG LYS A 23 124.677 -7.525 -2.947 1.00 0.00 C ATOM 420 CD LYS A 23 124.246 -8.893 -2.410 1.00 0.00 C ATOM 421 CE LYS A 23 124.192 -9.901 -3.560 1.00 0.00 C ATOM 422 NZ LYS A 23 122.925 -9.594 -4.280 1.00 0.00 N ATOM 0 H LYS A 23 124.217 -5.606 -4.530 1.00 0.00 H new ATOM 0 HA LYS A 23 122.007 -7.055 -3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.381 -5.522 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.453 -6.746 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.589 -7.505 -4.033 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.725 -7.343 -2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 23 124.947 -9.233 -1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.269 -8.817 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 23 125.055 -9.797 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 23 124.197 -10.925 -3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 122.650 -10.411 -4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 122.174 -9.391 -3.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 123.066 -8.765 -4.892 1.00 0.00 H new ATOM 436 N VAL A 24 121.962 -3.858 -2.816 1.00 0.00 N ATOM 437 CA VAL A 24 121.093 -2.796 -2.234 1.00 0.00 C ATOM 438 C VAL A 24 119.822 -2.637 -3.073 1.00 0.00 C ATOM 439 O VAL A 24 118.726 -2.582 -2.551 1.00 0.00 O ATOM 440 CB VAL A 24 121.935 -1.521 -2.287 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.046 -0.310 -2.002 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.043 -1.597 -1.234 1.00 0.00 C ATOM 0 H VAL A 24 122.759 -3.520 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 24 120.776 -3.031 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 24 122.380 -1.421 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.646 0.599 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.256 -0.254 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.601 -0.410 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.644 -0.688 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.598 -1.697 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.678 -2.460 -1.435 1.00 0.00 H new ATOM 452 N ARG A 25 119.961 -2.565 -4.368 1.00 0.00 N ATOM 453 CA ARG A 25 118.760 -2.411 -5.240 1.00 0.00 C ATOM 454 C ARG A 25 117.694 -3.436 -4.852 1.00 0.00 C ATOM 455 O ARG A 25 116.515 -3.143 -4.828 1.00 0.00 O ATOM 456 CB ARG A 25 119.266 -2.672 -6.659 1.00 0.00 C ATOM 457 CG ARG A 25 118.202 -2.244 -7.671 1.00 0.00 C ATOM 458 CD ARG A 25 117.647 -3.481 -8.383 1.00 0.00 C ATOM 459 NE ARG A 25 117.529 -3.080 -9.814 1.00 0.00 N ATOM 460 CZ ARG A 25 118.260 -3.671 -10.720 1.00 0.00 C ATOM 461 NH1 ARG A 25 118.572 -4.930 -10.588 1.00 0.00 N ATOM 462 NH2 ARG A 25 118.677 -3.000 -11.760 1.00 0.00 N ATOM 0 H ARG A 25 120.853 -2.606 -4.861 1.00 0.00 H new ATOM 0 HA ARG A 25 118.303 -1.426 -5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.190 -2.121 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.497 -3.730 -6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.397 -1.711 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.633 -1.555 -8.398 1.00 0.00 H new ATOM 0 HD2 ARG A 25 118.313 -4.336 -8.266 1.00 0.00 H new ATOM 0 HD3 ARG A 25 116.680 -3.772 -7.973 1.00 0.00 H new ATOM 0 HE ARG A 25 116.877 -2.344 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 25 118.245 -5.454 -9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.143 -5.391 -11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 25 118.432 -2.015 -11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 25 119.248 -3.461 -12.469 1.00 0.00 H new ATOM 476 N GLU A 26 118.102 -4.635 -4.545 1.00 0.00 N ATOM 477 CA GLU A 26 117.116 -5.683 -4.155 1.00 0.00 C ATOM 478 C GLU A 26 116.635 -5.446 -2.721 1.00 0.00 C ATOM 479 O GLU A 26 115.477 -5.639 -2.405 1.00 0.00 O ATOM 480 CB GLU A 26 117.882 -7.003 -4.253 1.00 0.00 C ATOM 481 CG GLU A 26 117.061 -8.009 -5.063 1.00 0.00 C ATOM 482 CD GLU A 26 115.685 -8.184 -4.417 1.00 0.00 C ATOM 483 OE1 GLU A 26 115.599 -8.046 -3.207 1.00 0.00 O ATOM 484 OE2 GLU A 26 114.742 -8.450 -5.142 1.00 0.00 O ATOM 0 H GLU A 26 119.077 -4.936 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 26 116.232 -5.677 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.849 -6.840 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.079 -7.397 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 26 116.951 -7.661 -6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 26 117.579 -8.967 -5.105 1.00 0.00 H new ATOM 491 N ALA A 27 117.514 -5.025 -1.853 1.00 0.00 N ATOM 492 CA ALA A 27 117.106 -4.773 -0.442 1.00 0.00 C ATOM 493 C ALA A 27 116.113 -3.610 -0.385 1.00 0.00 C ATOM 494 O ALA A 27 115.466 -3.380 0.617 1.00 0.00 O ATOM 495 CB ALA A 27 118.401 -4.409 0.286 1.00 0.00 C ATOM 0 H ALA A 27 118.496 -4.845 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 27 116.615 -5.635 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.184 -4.208 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.105 -5.238 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.838 -3.521 -0.171 1.00 0.00 H new ATOM 501 N THR A 28 115.988 -2.874 -1.457 1.00 0.00 N ATOM 502 CA THR A 28 115.036 -1.727 -1.466 1.00 0.00 C ATOM 503 C THR A 28 113.775 -2.093 -2.254 1.00 0.00 C ATOM 504 O THR A 28 112.702 -1.584 -1.998 1.00 0.00 O ATOM 505 CB THR A 28 115.789 -0.589 -2.156 1.00 0.00 C ATOM 506 OG1 THR A 28 116.463 -1.094 -3.300 1.00 0.00 O ATOM 507 CG2 THR A 28 116.806 0.014 -1.185 1.00 0.00 C ATOM 0 H THR A 28 116.503 -3.018 -2.325 1.00 0.00 H new ATOM 0 HA THR A 28 114.714 -1.451 -0.462 1.00 0.00 H new ATOM 0 HB THR A 28 115.082 0.182 -2.463 1.00 0.00 H new ATOM 0 HG1 THR A 28 115.939 -1.822 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.342 0.825 -1.677 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.287 0.402 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.514 -0.755 -0.876 1.00 0.00 H new ATOM 644 N LEU A 39 120.819 -10.969 2.655 1.00 0.00 N ATOM 645 CA LEU A 39 121.198 -9.829 1.773 1.00 0.00 C ATOM 646 C LEU A 39 121.558 -8.603 2.618 1.00 0.00 C ATOM 647 O LEU A 39 122.302 -7.743 2.193 1.00 0.00 O ATOM 648 CB LEU A 39 119.955 -9.553 0.927 1.00 0.00 C ATOM 649 CG LEU A 39 120.084 -8.183 0.261 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.839 -8.319 -1.243 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.049 -7.228 0.861 1.00 0.00 C ATOM 0 HA LEU A 39 122.068 -10.055 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.839 -10.328 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.063 -9.582 1.552 1.00 0.00 H new ATOM 0 HG LEU A 39 121.086 -7.790 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 39 119.931 -7.342 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 39 120.574 -9.000 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 39 118.837 -8.712 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.139 -6.250 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.048 -7.623 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.223 -7.130 1.933 1.00 0.00 H new ATOM 663 N MET A 40 121.035 -8.518 3.811 1.00 0.00 N ATOM 664 CA MET A 40 121.349 -7.348 4.679 1.00 0.00 C ATOM 665 C MET A 40 122.792 -7.437 5.184 1.00 0.00 C ATOM 666 O MET A 40 123.606 -6.573 4.922 1.00 0.00 O ATOM 667 CB MET A 40 120.366 -7.444 5.845 1.00 0.00 C ATOM 668 CG MET A 40 119.504 -6.182 5.890 1.00 0.00 C ATOM 669 SD MET A 40 118.466 -6.211 7.372 1.00 0.00 S ATOM 670 CE MET A 40 117.099 -5.227 6.709 1.00 0.00 C ATOM 0 H MET A 40 120.405 -9.207 4.221 1.00 0.00 H new ATOM 0 HA MET A 40 121.257 -6.402 4.146 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.734 -8.325 5.730 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.908 -7.561 6.783 1.00 0.00 H new ATOM 0 HG2 MET A 40 120.138 -5.296 5.895 1.00 0.00 H new ATOM 0 HG3 MET A 40 118.881 -6.123 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.701 -4.582 7.493 1.00 0.00 H new ATOM 0 HE2 MET A 40 117.459 -4.614 5.883 1.00 0.00 H new ATOM 0 HE3 MET A 40 116.312 -5.891 6.352 1.00 0.00 H new ATOM 680 N SER A 41 123.115 -8.475 5.906 1.00 0.00 N ATOM 681 CA SER A 41 124.506 -8.617 6.424 1.00 0.00 C ATOM 682 C SER A 41 125.508 -8.511 5.273 1.00 0.00 C ATOM 683 O SER A 41 126.652 -8.146 5.463 1.00 0.00 O ATOM 684 CB SER A 41 124.555 -10.008 7.053 1.00 0.00 C ATOM 685 OG SER A 41 124.477 -10.990 6.026 1.00 0.00 O ATOM 0 H SER A 41 122.477 -9.230 6.159 1.00 0.00 H new ATOM 0 HA SER A 41 124.763 -7.838 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 125.477 -10.131 7.621 1.00 0.00 H new ATOM 0 HB3 SER A 41 123.730 -10.132 7.754 1.00 0.00 H new ATOM 0 HG SER A 41 124.510 -11.884 6.425 1.00 0.00 H new ATOM 691 N GLU A 42 125.087 -8.826 4.078 1.00 0.00 N ATOM 692 CA GLU A 42 126.015 -8.743 2.915 1.00 0.00 C ATOM 693 C GLU A 42 126.221 -7.281 2.509 1.00 0.00 C ATOM 694 O GLU A 42 127.335 -6.807 2.406 1.00 0.00 O ATOM 695 CB GLU A 42 125.317 -9.516 1.795 1.00 0.00 C ATOM 696 CG GLU A 42 125.520 -11.018 2.006 1.00 0.00 C ATOM 697 CD GLU A 42 125.474 -11.733 0.655 1.00 0.00 C ATOM 698 OE1 GLU A 42 126.393 -11.545 -0.125 1.00 0.00 O ATOM 699 OE2 GLU A 42 124.519 -12.456 0.422 1.00 0.00 O ATOM 0 H GLU A 42 124.141 -9.137 3.857 1.00 0.00 H new ATOM 0 HA GLU A 42 126.999 -9.153 3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.253 -9.280 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 42 125.719 -9.217 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 42 126.477 -11.201 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.746 -11.412 2.664 1.00 0.00 H new ATOM 706 N ILE A 43 125.154 -6.563 2.279 1.00 0.00 N ATOM 707 CA ILE A 43 125.293 -5.133 1.881 1.00 0.00 C ATOM 708 C ILE A 43 126.139 -4.379 2.911 1.00 0.00 C ATOM 709 O ILE A 43 126.903 -3.497 2.571 1.00 0.00 O ATOM 710 CB ILE A 43 123.865 -4.589 1.847 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.134 -5.160 0.630 1.00 0.00 C ATOM 712 CG2 ILE A 43 123.904 -3.063 1.748 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.626 -4.989 0.811 1.00 0.00 C ATOM 0 H ILE A 43 124.195 -6.904 2.349 1.00 0.00 H new ATOM 0 HA ILE A 43 125.791 -5.017 0.919 1.00 0.00 H new ATOM 0 HB ILE A 43 123.341 -4.881 2.757 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.462 -4.650 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.379 -6.215 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 43 122.886 -2.674 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.428 -2.656 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.426 -2.771 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.107 -5.396 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.305 -5.519 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.389 -3.930 0.911 1.00 0.00 H new ATOM 725 N ALA A 44 126.019 -4.724 4.163 1.00 0.00 N ATOM 726 CA ALA A 44 126.830 -4.031 5.204 1.00 0.00 C ATOM 727 C ALA A 44 128.294 -4.461 5.083 1.00 0.00 C ATOM 728 O ALA A 44 129.195 -3.644 5.024 1.00 0.00 O ATOM 729 CB ALA A 44 126.238 -4.482 6.539 1.00 0.00 C ATOM 0 H ALA A 44 125.396 -5.454 4.510 1.00 0.00 H new ATOM 0 HA ALA A 44 126.804 -2.946 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.784 -4.012 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.189 -4.190 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.318 -5.566 6.625 1.00 0.00 H new ATOM 735 N ASP A 45 128.541 -5.741 5.025 1.00 0.00 N ATOM 736 CA ASP A 45 129.945 -6.207 4.883 1.00 0.00 C ATOM 737 C ASP A 45 130.577 -5.509 3.679 1.00 0.00 C ATOM 738 O ASP A 45 131.782 -5.404 3.565 1.00 0.00 O ATOM 739 CB ASP A 45 129.848 -7.715 4.648 1.00 0.00 C ATOM 740 CG ASP A 45 130.020 -8.450 5.979 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.801 -7.985 6.794 1.00 0.00 O ATOM 742 OD2 ASP A 45 129.368 -9.465 6.162 1.00 0.00 O ATOM 0 H ASP A 45 127.836 -6.477 5.070 1.00 0.00 H new ATOM 0 HA ASP A 45 130.559 -5.984 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.884 -7.964 4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.615 -8.034 3.942 1.00 0.00 H new ATOM 747 N LEU A 46 129.759 -5.023 2.783 1.00 0.00 N ATOM 748 CA LEU A 46 130.293 -4.320 1.585 1.00 0.00 C ATOM 749 C LEU A 46 130.690 -2.889 1.956 1.00 0.00 C ATOM 750 O LEU A 46 131.685 -2.374 1.491 1.00 0.00 O ATOM 751 CB LEU A 46 129.144 -4.322 0.577 1.00 0.00 C ATOM 752 CG LEU A 46 129.171 -5.624 -0.223 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.842 -5.802 -0.961 1.00 0.00 C ATOM 754 CD2 LEU A 46 130.313 -5.573 -1.240 1.00 0.00 C ATOM 0 H LEU A 46 128.742 -5.084 2.831 1.00 0.00 H new ATOM 0 HA LEU A 46 131.183 -4.802 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.191 -4.221 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.234 -3.468 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 46 129.323 -6.462 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.864 -6.731 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.027 -5.838 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.688 -4.963 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 46 130.333 -6.501 -1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 46 130.159 -4.733 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.261 -5.448 -0.717 1.00 0.00 H new ATOM 766 N THR A 47 129.928 -2.245 2.798 1.00 0.00 N ATOM 767 CA THR A 47 130.287 -0.852 3.192 1.00 0.00 C ATOM 768 C THR A 47 131.739 -0.823 3.663 1.00 0.00 C ATOM 769 O THR A 47 132.503 0.054 3.312 1.00 0.00 O ATOM 770 CB THR A 47 129.350 -0.482 4.343 1.00 0.00 C ATOM 771 OG1 THR A 47 129.525 -1.398 5.414 1.00 0.00 O ATOM 772 CG2 THR A 47 127.898 -0.522 3.868 1.00 0.00 C ATOM 0 H THR A 47 129.081 -2.618 3.227 1.00 0.00 H new ATOM 0 HA THR A 47 130.185 -0.152 2.363 1.00 0.00 H new ATOM 0 HB THR A 47 129.587 0.526 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.099 -2.251 5.188 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.238 -0.257 4.694 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.762 0.189 3.053 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.657 -1.526 3.518 1.00 0.00 H new ATOM 780 N TYR A 48 132.129 -1.785 4.453 1.00 0.00 N ATOM 781 CA TYR A 48 133.539 -1.814 4.938 1.00 0.00 C ATOM 782 C TYR A 48 134.487 -1.520 3.775 1.00 0.00 C ATOM 783 O TYR A 48 135.435 -0.769 3.903 1.00 0.00 O ATOM 784 CB TYR A 48 133.753 -3.234 5.459 1.00 0.00 C ATOM 785 CG TYR A 48 132.955 -3.431 6.724 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.517 -3.113 7.965 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.650 -3.934 6.654 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.776 -3.295 9.137 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.909 -4.118 7.827 1.00 0.00 C ATOM 790 CZ TYR A 48 131.471 -3.799 9.069 1.00 0.00 C ATOM 791 OH TYR A 48 130.740 -3.981 10.224 1.00 0.00 O ATOM 0 H TYR A 48 131.537 -2.548 4.782 1.00 0.00 H new ATOM 0 HA TYR A 48 133.731 -1.069 5.711 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.446 -3.959 4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.812 -3.406 5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.524 -2.727 8.018 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.216 -4.180 5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.210 -3.047 10.094 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.903 -4.506 7.774 1.00 0.00 H new ATOM 0 HH TYR A 48 129.800 -4.135 9.995 1.00 0.00 H new ATOM 801 N ASN A 49 134.230 -2.104 2.638 1.00 0.00 N ATOM 802 CA ASN A 49 135.104 -1.860 1.454 1.00 0.00 C ATOM 803 C ASN A 49 134.866 -0.465 0.900 1.00 0.00 C ATOM 804 O ASN A 49 134.036 -0.262 0.038 1.00 0.00 O ATOM 805 CB ASN A 49 134.703 -2.924 0.431 1.00 0.00 C ATOM 806 CG ASN A 49 135.628 -4.136 0.563 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.666 -4.057 1.188 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.292 -5.262 -0.004 1.00 0.00 N ATOM 0 H ASN A 49 133.451 -2.742 2.476 1.00 0.00 H new ATOM 0 HA ASN A 49 136.163 -1.922 1.707 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.668 -3.225 0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.764 -2.515 -0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 49 135.901 -6.076 0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.420 -5.328 -0.529 1.00 0.00 H new ATOM 815 N VAL A 50 135.629 0.472 1.395 1.00 0.00 N ATOM 816 CA VAL A 50 135.563 1.895 0.944 1.00 0.00 C ATOM 817 C VAL A 50 134.698 2.067 -0.311 1.00 0.00 C ATOM 818 O VAL A 50 133.717 2.784 -0.305 1.00 0.00 O ATOM 819 CB VAL A 50 137.027 2.262 0.647 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.691 2.757 1.931 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.806 1.034 0.118 1.00 0.00 C ATOM 0 H VAL A 50 136.323 0.303 2.123 1.00 0.00 H new ATOM 0 HA VAL A 50 135.104 2.534 1.698 1.00 0.00 H new ATOM 0 HB VAL A 50 137.042 3.042 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.729 3.019 1.726 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.161 3.636 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.657 1.970 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.839 1.318 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.788 0.242 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.341 0.676 -0.801 1.00 0.00 H new ATOM 831 N VAL A 51 135.044 1.408 -1.382 1.00 0.00 N ATOM 832 CA VAL A 51 134.232 1.529 -2.625 1.00 0.00 C ATOM 833 C VAL A 51 132.825 0.997 -2.385 1.00 0.00 C ATOM 834 O VAL A 51 131.846 1.709 -2.487 1.00 0.00 O ATOM 835 CB VAL A 51 134.949 0.647 -3.656 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.950 0.145 -4.717 1.00 0.00 C ATOM 837 CG2 VAL A 51 136.051 1.460 -4.334 1.00 0.00 C ATOM 0 H VAL A 51 135.854 0.791 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 51 134.141 2.564 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 51 135.384 -0.214 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.472 -0.479 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.167 -0.439 -4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.503 0.998 -5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.563 0.838 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.611 2.323 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.766 1.800 -3.585 1.00 0.00 H new ATOM 847 N ALA A 52 132.732 -0.273 -2.110 1.00 0.00 N ATOM 848 CA ALA A 52 131.407 -0.904 -1.906 1.00 0.00 C ATOM 849 C ALA A 52 130.463 0.041 -1.160 1.00 0.00 C ATOM 850 O ALA A 52 129.329 0.229 -1.546 1.00 0.00 O ATOM 851 CB ALA A 52 131.687 -2.151 -1.070 1.00 0.00 C ATOM 0 H ALA A 52 133.528 -0.904 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 52 130.921 -1.143 -2.852 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.752 -2.676 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.366 -2.808 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 52 132.143 -1.860 -0.124 1.00 0.00 H new ATOM 857 N PHE A 53 130.922 0.633 -0.093 1.00 0.00 N ATOM 858 CA PHE A 53 130.054 1.564 0.679 1.00 0.00 C ATOM 859 C PHE A 53 129.532 2.682 -0.231 1.00 0.00 C ATOM 860 O PHE A 53 128.344 2.916 -0.322 1.00 0.00 O ATOM 861 CB PHE A 53 130.971 2.129 1.765 1.00 0.00 C ATOM 862 CG PHE A 53 130.358 3.377 2.340 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.069 3.335 2.877 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.077 4.575 2.329 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.496 4.495 3.407 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.505 5.738 2.859 1.00 0.00 C ATOM 867 CZ PHE A 53 129.213 5.697 3.398 1.00 0.00 C ATOM 0 H PHE A 53 131.864 0.511 0.279 1.00 0.00 H new ATOM 0 HA PHE A 53 129.177 1.071 1.098 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.120 1.389 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.953 2.352 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.516 2.408 2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.073 4.604 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.500 4.464 3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.059 6.665 2.852 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.770 6.593 3.807 1.00 0.00 H new ATOM 877 N SER A 54 130.412 3.378 -0.899 1.00 0.00 N ATOM 878 CA SER A 54 129.960 4.480 -1.797 1.00 0.00 C ATOM 879 C SER A 54 128.959 3.947 -2.825 1.00 0.00 C ATOM 880 O SER A 54 128.109 4.667 -3.310 1.00 0.00 O ATOM 881 CB SER A 54 131.229 4.974 -2.490 1.00 0.00 C ATOM 882 OG SER A 54 131.179 6.389 -2.610 1.00 0.00 O ATOM 0 H SER A 54 131.421 3.232 -0.862 1.00 0.00 H new ATOM 0 HA SER A 54 129.459 5.278 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 54 132.108 4.677 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.320 4.517 -3.475 1.00 0.00 H new ATOM 0 HG SER A 54 131.993 6.709 -3.053 1.00 0.00 H new ATOM 888 N GLU A 55 129.054 2.690 -3.160 1.00 0.00 N ATOM 889 CA GLU A 55 128.110 2.108 -4.156 1.00 0.00 C ATOM 890 C GLU A 55 126.798 1.710 -3.472 1.00 0.00 C ATOM 891 O GLU A 55 125.754 1.653 -4.092 1.00 0.00 O ATOM 892 CB GLU A 55 128.826 0.871 -4.705 1.00 0.00 C ATOM 893 CG GLU A 55 130.234 1.254 -5.171 1.00 0.00 C ATOM 894 CD GLU A 55 130.219 1.510 -6.680 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.051 0.556 -7.421 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.376 2.656 -7.068 1.00 0.00 O ATOM 0 H GLU A 55 129.745 2.040 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 55 127.855 2.815 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.884 0.101 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.260 0.450 -5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.574 2.145 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.937 0.456 -4.934 1.00 0.00 H new ATOM 903 N ILE A 56 126.846 1.439 -2.197 1.00 0.00 N ATOM 904 CA ILE A 56 125.608 1.045 -1.465 1.00 0.00 C ATOM 905 C ILE A 56 124.776 2.289 -1.138 1.00 0.00 C ATOM 906 O ILE A 56 123.721 2.505 -1.700 1.00 0.00 O ATOM 907 CB ILE A 56 126.111 0.369 -0.188 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.708 -0.995 -0.545 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.951 0.172 0.792 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.917 -1.274 0.350 1.00 0.00 C ATOM 0 H ILE A 56 127.692 1.473 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 56 124.966 0.383 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 56 126.869 0.998 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.959 -1.776 -0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 56 127.007 -1.010 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.318 -0.310 1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.520 1.141 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.188 -0.455 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.342 -2.245 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.668 -0.499 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.604 -1.277 1.394 1.00 0.00 H new ATOM 922 N MET A 57 125.244 3.113 -0.240 1.00 0.00 N ATOM 923 CA MET A 57 124.477 4.344 0.107 1.00 0.00 C ATOM 924 C MET A 57 124.003 5.035 -1.172 1.00 0.00 C ATOM 925 O MET A 57 122.914 5.567 -1.234 1.00 0.00 O ATOM 926 CB MET A 57 125.467 5.235 0.858 1.00 0.00 C ATOM 927 CG MET A 57 125.558 4.788 2.318 1.00 0.00 C ATOM 928 SD MET A 57 123.927 4.903 3.093 1.00 0.00 S ATOM 929 CE MET A 57 124.059 6.623 3.641 1.00 0.00 C ATOM 0 H MET A 57 126.120 2.988 0.267 1.00 0.00 H new ATOM 0 HA MET A 57 123.593 4.127 0.707 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.449 5.180 0.389 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.147 6.276 0.805 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.926 3.763 2.373 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.272 5.412 2.856 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.123 6.929 4.108 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.871 6.714 4.362 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.262 7.264 2.783 1.00 0.00 H new ATOM 939 N SER A 58 124.815 5.029 -2.194 1.00 0.00 N ATOM 940 CA SER A 58 124.407 5.685 -3.471 1.00 0.00 C ATOM 941 C SER A 58 123.073 5.109 -3.949 1.00 0.00 C ATOM 942 O SER A 58 122.089 5.812 -4.066 1.00 0.00 O ATOM 943 CB SER A 58 125.523 5.356 -4.461 1.00 0.00 C ATOM 944 OG SER A 58 125.036 5.514 -5.787 1.00 0.00 O ATOM 0 H SER A 58 125.740 4.600 -2.201 1.00 0.00 H new ATOM 0 HA SER A 58 124.270 6.761 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.378 6.012 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.871 4.334 -4.308 1.00 0.00 H new ATOM 0 HG SER A 58 124.768 4.641 -6.143 1.00 0.00 H new ATOM 950 N MET A 59 123.028 3.832 -4.223 1.00 0.00 N ATOM 951 CA MET A 59 121.751 3.218 -4.686 1.00 0.00 C ATOM 952 C MET A 59 120.664 3.419 -3.628 1.00 0.00 C ATOM 953 O MET A 59 119.485 3.365 -3.913 1.00 0.00 O ATOM 954 CB MET A 59 122.065 1.731 -4.860 1.00 0.00 C ATOM 955 CG MET A 59 122.634 1.489 -6.259 1.00 0.00 C ATOM 956 SD MET A 59 124.249 2.295 -6.400 1.00 0.00 S ATOM 957 CE MET A 59 124.164 2.667 -8.169 1.00 0.00 C ATOM 0 H MET A 59 123.817 3.191 -4.146 1.00 0.00 H new ATOM 0 HA MET A 59 121.385 3.664 -5.611 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.781 1.409 -4.104 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.161 1.139 -4.716 1.00 0.00 H new ATOM 0 HG2 MET A 59 122.732 0.419 -6.444 1.00 0.00 H new ATOM 0 HG3 MET A 59 121.952 1.882 -7.014 1.00 0.00 H new ATOM 0 HE1 MET A 59 125.077 3.176 -8.478 1.00 0.00 H new ATOM 0 HE2 MET A 59 124.058 1.739 -8.731 1.00 0.00 H new ATOM 0 HE3 MET A 59 123.306 3.310 -8.365 1.00 0.00 H new ATOM 967 N ILE A 60 121.058 3.655 -2.405 1.00 0.00 N ATOM 968 CA ILE A 60 120.056 3.866 -1.322 1.00 0.00 C ATOM 969 C ILE A 60 119.455 5.273 -1.438 1.00 0.00 C ATOM 970 O ILE A 60 118.313 5.502 -1.089 1.00 0.00 O ATOM 971 CB ILE A 60 120.857 3.685 -0.019 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.618 2.274 0.523 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.427 4.709 1.037 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.927 1.705 1.069 1.00 0.00 C ATOM 0 H ILE A 60 122.033 3.711 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 60 119.215 3.175 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 60 121.914 3.836 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 60 119.864 2.299 1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.232 1.631 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.008 4.559 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.599 5.716 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.367 4.581 1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.754 0.700 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.668 1.665 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.294 2.344 1.872 1.00 0.00 H new ATOM 986 N TRP A 61 120.215 6.213 -1.925 1.00 0.00 N ATOM 987 CA TRP A 61 119.688 7.601 -2.065 1.00 0.00 C ATOM 988 C TRP A 61 118.776 7.694 -3.290 1.00 0.00 C ATOM 989 O TRP A 61 117.659 8.168 -3.209 1.00 0.00 O ATOM 990 CB TRP A 61 120.929 8.477 -2.249 1.00 0.00 C ATOM 991 CG TRP A 61 121.739 8.468 -0.992 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.053 8.158 -0.917 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.314 8.778 0.367 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.462 8.258 0.400 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.427 8.637 1.230 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.084 9.164 0.930 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.323 8.870 2.602 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.975 9.399 2.311 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.093 9.253 3.146 1.00 0.00 C ATOM 0 H TRP A 61 121.179 6.081 -2.233 1.00 0.00 H new ATOM 0 HA TRP A 61 119.096 7.911 -1.204 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.527 8.108 -3.082 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.634 9.497 -2.496 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.681 7.878 -1.750 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.413 8.074 0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.217 9.281 0.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.187 8.755 3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.025 9.694 2.732 1.00 0.00 H new ATOM 0 HH2 TRP A 61 121.004 9.436 4.207 1.00 0.00 H new ATOM 1010 N LYS A 62 119.239 7.243 -4.423 1.00 0.00 N ATOM 1011 CA LYS A 62 118.393 7.304 -5.650 1.00 0.00 C ATOM 1012 C LYS A 62 117.017 6.696 -5.367 1.00 0.00 C ATOM 1013 O LYS A 62 115.995 7.301 -5.625 1.00 0.00 O ATOM 1014 CB LYS A 62 119.144 6.474 -6.692 1.00 0.00 C ATOM 1015 CG LYS A 62 119.835 7.408 -7.688 1.00 0.00 C ATOM 1016 CD LYS A 62 121.350 7.352 -7.477 1.00 0.00 C ATOM 1017 CE LYS A 62 121.855 5.937 -7.770 1.00 0.00 C ATOM 1018 NZ LYS A 62 122.309 5.975 -9.188 1.00 0.00 N ATOM 0 H LYS A 62 120.165 6.835 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 62 118.227 8.326 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.881 5.837 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.451 5.815 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.589 7.115 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.476 8.429 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.846 8.069 -8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.596 7.632 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.671 5.663 -7.102 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.065 5.199 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.590 5.020 -9.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 121.533 6.313 -9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 123.121 6.618 -9.275 1.00 0.00 H new ATOM 1032 N ARG A 63 116.983 5.505 -4.834 1.00 0.00 N ATOM 1033 CA ARG A 63 115.673 4.859 -4.530 1.00 0.00 C ATOM 1034 C ARG A 63 114.979 5.593 -3.380 1.00 0.00 C ATOM 1035 O ARG A 63 113.773 5.547 -3.240 1.00 0.00 O ATOM 1036 CB ARG A 63 116.022 3.430 -4.116 1.00 0.00 C ATOM 1037 CG ARG A 63 116.623 2.683 -5.308 1.00 0.00 C ATOM 1038 CD ARG A 63 115.535 2.431 -6.353 1.00 0.00 C ATOM 1039 NE ARG A 63 116.250 1.829 -7.512 1.00 0.00 N ATOM 1040 CZ ARG A 63 115.697 1.836 -8.694 1.00 0.00 C ATOM 1041 NH1 ARG A 63 115.359 2.968 -9.248 1.00 0.00 N ATOM 1042 NH2 ARG A 63 115.483 0.712 -9.321 1.00 0.00 N ATOM 0 H ARG A 63 117.805 4.951 -4.596 1.00 0.00 H new ATOM 0 HA ARG A 63 114.993 4.883 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.730 3.443 -3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 63 115.129 2.914 -3.763 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.434 3.266 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 63 117.052 1.737 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.767 1.759 -5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 63 115.035 3.358 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 63 117.171 1.411 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 63 115.527 3.846 -8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 63 114.927 2.975 -10.172 1.00 0.00 H new ATOM 0 HH21 ARG A 63 115.748 -0.172 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 63 115.051 0.718 -10.245 1.00 0.00 H new ATOM 1056 N LEU A 64 115.734 6.265 -2.556 1.00 0.00 N ATOM 1057 CA LEU A 64 115.120 7.000 -1.413 1.00 0.00 C ATOM 1058 C LEU A 64 114.349 8.220 -1.919 1.00 0.00 C ATOM 1059 O LEU A 64 113.423 8.688 -1.286 1.00 0.00 O ATOM 1060 CB LEU A 64 116.301 7.434 -0.544 1.00 0.00 C ATOM 1061 CG LEU A 64 116.364 6.551 0.700 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.567 6.955 1.556 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.075 6.722 1.508 1.00 0.00 C ATOM 0 H LEU A 64 116.749 6.337 -2.624 1.00 0.00 H new ATOM 0 HA LEU A 64 114.410 6.385 -0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.231 7.355 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.191 8.480 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 64 116.470 5.508 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.610 6.324 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.483 6.832 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.466 7.998 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.117 6.093 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 64 114.968 7.765 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.221 6.430 0.897 1.00 0.00 H new ATOM 1075 N ASN A 65 114.722 8.737 -3.057 1.00 0.00 N ATOM 1076 CA ASN A 65 114.011 9.923 -3.604 1.00 0.00 C ATOM 1077 C ASN A 65 113.008 9.482 -4.671 1.00 0.00 C ATOM 1078 O ASN A 65 112.785 10.163 -5.652 1.00 0.00 O ATOM 1079 CB ASN A 65 115.105 10.795 -4.218 1.00 0.00 C ATOM 1080 CG ASN A 65 114.537 12.178 -4.541 1.00 0.00 C ATOM 1081 OD1 ASN A 65 113.690 12.313 -5.401 1.00 0.00 O ATOM 1082 ND2 ASN A 65 114.970 13.219 -3.883 1.00 0.00 N ATOM 0 H ASN A 65 115.489 8.388 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 65 113.449 10.461 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.942 10.887 -3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 65 115.490 10.328 -5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.597 14.145 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 65 115.681 13.106 -3.161 1.00 0.00 H new ATOM 1161 N TRP A 71 106.178 4.706 -3.143 1.00 0.00 N ATOM 1162 CA TRP A 71 107.324 4.903 -2.210 1.00 0.00 C ATOM 1163 C TRP A 71 107.854 3.549 -1.729 1.00 0.00 C ATOM 1164 O TRP A 71 108.766 3.479 -0.930 1.00 0.00 O ATOM 1165 CB TRP A 71 106.745 5.699 -1.040 1.00 0.00 C ATOM 1166 CG TRP A 71 105.546 4.987 -0.499 1.00 0.00 C ATOM 1167 CD1 TRP A 71 104.262 5.317 -0.766 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.497 3.836 0.393 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.427 4.441 -0.096 1.00 0.00 N ATOM 1170 CE2 TRP A 71 104.141 3.510 0.633 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.487 3.050 1.011 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.779 2.444 1.456 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 106.126 1.976 1.841 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.775 1.673 2.063 1.00 0.00 C ATOM 0 HA TRP A 71 108.159 5.420 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 71 107.496 5.816 -0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 71 106.469 6.701 -1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.941 6.131 -1.399 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.408 4.478 -0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.531 3.274 0.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.737 2.216 1.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.894 1.380 2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.504 0.845 2.702 1.00 0.00 H new ATOM 1185 N ARG A 72 107.287 2.476 -2.206 1.00 0.00 N ATOM 1186 CA ARG A 72 107.757 1.127 -1.773 1.00 0.00 C ATOM 1187 C ARG A 72 109.287 1.080 -1.740 1.00 0.00 C ATOM 1188 O ARG A 72 109.881 0.531 -0.834 1.00 0.00 O ATOM 1189 CB ARG A 72 107.211 0.161 -2.824 1.00 0.00 C ATOM 1190 CG ARG A 72 105.819 -0.315 -2.405 1.00 0.00 C ATOM 1191 CD ARG A 72 105.311 -1.354 -3.408 1.00 0.00 C ATOM 1192 NE ARG A 72 104.174 -2.027 -2.719 1.00 0.00 N ATOM 1193 CZ ARG A 72 104.407 -2.889 -1.767 1.00 0.00 C ATOM 1194 NH1 ARG A 72 104.971 -4.033 -2.046 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.077 -2.606 -0.536 1.00 0.00 N ATOM 0 H ARG A 72 106.519 2.473 -2.877 1.00 0.00 H new ATOM 0 HA ARG A 72 107.414 0.874 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.162 0.653 -3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.881 -0.692 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.857 -0.747 -1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 72 105.132 0.530 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.987 -0.882 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 72 106.093 -2.067 -3.669 1.00 0.00 H new ATOM 0 HE ARG A 72 103.214 -1.814 -2.991 1.00 0.00 H new ATOM 0 HH11 ARG A 72 105.230 -4.253 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 72 105.153 -4.707 -1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 72 103.637 -1.712 -0.319 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.259 -3.279 0.208 1.00 0.00 H new ATOM 1209 N HIS A 73 109.932 1.648 -2.723 1.00 0.00 N ATOM 1210 CA HIS A 73 111.423 1.630 -2.745 1.00 0.00 C ATOM 1211 C HIS A 73 111.981 2.497 -1.610 1.00 0.00 C ATOM 1212 O HIS A 73 112.907 2.115 -0.923 1.00 0.00 O ATOM 1213 CB HIS A 73 111.807 2.209 -4.107 1.00 0.00 C ATOM 1214 CG HIS A 73 111.081 1.461 -5.193 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.973 0.079 -5.194 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.420 1.889 -6.318 1.00 0.00 C ATOM 1217 CE1 HIS A 73 110.270 -0.272 -6.287 1.00 0.00 C ATOM 1218 NE2 HIS A 73 109.908 0.793 -7.007 1.00 0.00 N ATOM 0 H HIS A 73 109.492 2.123 -3.511 1.00 0.00 H new ATOM 0 HA HIS A 73 111.826 0.627 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.553 3.268 -4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.884 2.133 -4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 73 110.313 2.920 -6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 73 110.028 -1.291 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 73 109.372 0.802 -7.875 1.00 0.00 H new ATOM 1226 N VAL A 74 111.423 3.661 -1.409 1.00 0.00 N ATOM 1227 CA VAL A 74 111.920 4.550 -0.316 1.00 0.00 C ATOM 1228 C VAL A 74 111.875 3.817 1.026 1.00 0.00 C ATOM 1229 O VAL A 74 112.849 3.768 1.749 1.00 0.00 O ATOM 1230 CB VAL A 74 110.964 5.741 -0.309 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.255 6.621 0.907 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.162 6.558 -1.587 1.00 0.00 C ATOM 0 H VAL A 74 110.646 4.035 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 74 112.954 4.858 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 74 109.936 5.382 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.573 7.471 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.117 6.039 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.283 6.981 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.481 7.409 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.190 6.917 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 74 110.957 5.931 -2.455 1.00 0.00 H new ATOM 1242 N TYR A 75 110.753 3.245 1.366 1.00 0.00 N ATOM 1243 CA TYR A 75 110.653 2.516 2.664 1.00 0.00 C ATOM 1244 C TYR A 75 111.825 1.544 2.809 1.00 0.00 C ATOM 1245 O TYR A 75 112.659 1.687 3.680 1.00 0.00 O ATOM 1246 CB TYR A 75 109.330 1.753 2.591 1.00 0.00 C ATOM 1247 CG TYR A 75 108.911 1.339 3.982 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.957 2.265 5.031 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.475 0.030 4.222 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.567 1.882 6.319 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.085 -0.352 5.511 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.131 0.574 6.561 1.00 0.00 C ATOM 1253 OH TYR A 75 107.746 0.199 7.831 1.00 0.00 O ATOM 0 H TYR A 75 109.902 3.250 0.803 1.00 0.00 H new ATOM 0 HA TYR A 75 110.686 3.189 3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.561 2.379 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.439 0.874 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.293 3.274 4.846 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.440 -0.685 3.413 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.602 2.597 7.128 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.748 -1.361 5.696 1.00 0.00 H new ATOM 0 HH TYR A 75 106.780 0.332 7.933 1.00 0.00 H new ATOM 1263 N LYS A 76 111.895 0.557 1.958 1.00 0.00 N ATOM 1264 CA LYS A 76 113.014 -0.422 2.046 1.00 0.00 C ATOM 1265 C LYS A 76 114.358 0.311 1.996 1.00 0.00 C ATOM 1266 O LYS A 76 115.371 -0.199 2.431 1.00 0.00 O ATOM 1267 CB LYS A 76 112.847 -1.325 0.825 1.00 0.00 C ATOM 1268 CG LYS A 76 111.440 -1.924 0.818 1.00 0.00 C ATOM 1269 CD LYS A 76 111.522 -3.422 1.123 1.00 0.00 C ATOM 1270 CE LYS A 76 111.492 -3.638 2.637 1.00 0.00 C ATOM 1271 NZ LYS A 76 112.709 -4.443 2.935 1.00 0.00 N ATOM 0 H LYS A 76 111.226 0.387 1.207 1.00 0.00 H new ATOM 0 HA LYS A 76 112.996 -0.991 2.976 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.014 -0.754 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.592 -2.121 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 76 110.817 -1.424 1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 76 110.970 -1.765 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.689 -3.945 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 76 112.437 -3.840 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 76 111.506 -2.688 3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 76 110.587 -4.163 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 112.759 -4.632 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 112.664 -5.344 2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 113.555 -3.916 2.639 1.00 0.00 H new ATOM 1285 N ALA A 77 114.375 1.506 1.469 1.00 0.00 N ATOM 1286 CA ALA A 77 115.653 2.270 1.391 1.00 0.00 C ATOM 1287 C ALA A 77 116.097 2.701 2.791 1.00 0.00 C ATOM 1288 O ALA A 77 117.268 2.698 3.111 1.00 0.00 O ATOM 1289 CB ALA A 77 115.331 3.493 0.531 1.00 0.00 C ATOM 0 H ALA A 77 113.559 1.986 1.089 1.00 0.00 H new ATOM 0 HA ALA A 77 116.464 1.677 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.224 4.109 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 77 114.996 3.167 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.543 4.076 1.008 1.00 0.00 H new ATOM 1295 N MET A 78 115.167 3.072 3.625 1.00 0.00 N ATOM 1296 CA MET A 78 115.528 3.504 5.006 1.00 0.00 C ATOM 1297 C MET A 78 116.046 2.312 5.814 1.00 0.00 C ATOM 1298 O MET A 78 117.002 2.419 6.556 1.00 0.00 O ATOM 1299 CB MET A 78 114.228 4.033 5.611 1.00 0.00 C ATOM 1300 CG MET A 78 114.069 5.516 5.271 1.00 0.00 C ATOM 1301 SD MET A 78 113.266 5.684 3.658 1.00 0.00 S ATOM 1302 CE MET A 78 111.566 5.815 4.265 1.00 0.00 C ATOM 0 H MET A 78 114.170 3.095 3.411 1.00 0.00 H new ATOM 0 HA MET A 78 116.315 4.258 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.379 3.468 5.225 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.236 3.896 6.692 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.476 6.014 6.038 1.00 0.00 H new ATOM 0 HG3 MET A 78 115.044 6.003 5.256 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.915 5.181 3.663 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.525 5.493 5.306 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.232 6.850 4.192 1.00 0.00 H new ATOM 1312 N THR A 79 115.416 1.177 5.680 1.00 0.00 N ATOM 1313 CA THR A 79 115.868 -0.021 6.444 1.00 0.00 C ATOM 1314 C THR A 79 117.323 -0.348 6.110 1.00 0.00 C ATOM 1315 O THR A 79 118.127 -0.597 6.983 1.00 0.00 O ATOM 1316 CB THR A 79 114.941 -1.151 5.995 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.650 -0.952 6.555 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.503 -2.494 6.465 1.00 0.00 C ATOM 0 H THR A 79 114.608 1.027 5.075 1.00 0.00 H new ATOM 0 HA THR A 79 115.823 0.136 7.522 1.00 0.00 H new ATOM 0 HB THR A 79 114.870 -1.152 4.907 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.054 -1.674 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.841 -3.298 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.493 -2.645 6.034 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.577 -2.497 7.553 1.00 0.00 H new ATOM 1326 N LEU A 80 117.668 -0.344 4.855 1.00 0.00 N ATOM 1327 CA LEU A 80 119.076 -0.650 4.475 1.00 0.00 C ATOM 1328 C LEU A 80 120.024 0.341 5.148 1.00 0.00 C ATOM 1329 O LEU A 80 120.884 -0.035 5.915 1.00 0.00 O ATOM 1330 CB LEU A 80 119.130 -0.494 2.956 1.00 0.00 C ATOM 1331 CG LEU A 80 120.507 -0.932 2.457 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.860 -2.292 3.062 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.485 -1.044 0.931 1.00 0.00 C ATOM 0 H LEU A 80 117.040 -0.143 4.077 1.00 0.00 H new ATOM 0 HA LEU A 80 119.378 -1.650 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.351 -1.096 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.941 0.543 2.677 1.00 0.00 H new ATOM 0 HG LEU A 80 121.253 -0.196 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.842 -2.605 2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.876 -2.214 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.114 -3.028 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.467 -1.356 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.739 -1.780 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.233 -0.076 0.499 1.00 0.00 H new ATOM 1345 N MET A 81 119.872 1.606 4.871 1.00 0.00 N ATOM 1346 CA MET A 81 120.767 2.615 5.502 1.00 0.00 C ATOM 1347 C MET A 81 120.748 2.456 7.026 1.00 0.00 C ATOM 1348 O MET A 81 121.657 2.879 7.713 1.00 0.00 O ATOM 1349 CB MET A 81 120.187 3.970 5.094 1.00 0.00 C ATOM 1350 CG MET A 81 120.986 5.089 5.766 1.00 0.00 C ATOM 1351 SD MET A 81 120.066 6.643 5.644 1.00 0.00 S ATOM 1352 CE MET A 81 119.742 6.574 3.866 1.00 0.00 C ATOM 0 H MET A 81 119.168 1.984 4.237 1.00 0.00 H new ATOM 0 HA MET A 81 121.804 2.506 5.184 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.224 4.082 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.138 4.032 5.385 1.00 0.00 H new ATOM 0 HG2 MET A 81 121.168 4.843 6.812 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.960 5.192 5.288 1.00 0.00 H new ATOM 0 HE1 MET A 81 119.143 7.436 3.572 1.00 0.00 H new ATOM 0 HE2 MET A 81 120.687 6.586 3.323 1.00 0.00 H new ATOM 0 HE3 MET A 81 119.200 5.658 3.630 1.00 0.00 H new ATOM 1362 N GLU A 82 119.718 1.856 7.560 1.00 0.00 N ATOM 1363 CA GLU A 82 119.643 1.678 9.039 1.00 0.00 C ATOM 1364 C GLU A 82 120.500 0.489 9.486 1.00 0.00 C ATOM 1365 O GLU A 82 121.125 0.520 10.528 1.00 0.00 O ATOM 1366 CB GLU A 82 118.167 1.405 9.323 1.00 0.00 C ATOM 1367 CG GLU A 82 117.736 2.170 10.576 1.00 0.00 C ATOM 1368 CD GLU A 82 117.236 1.181 11.631 1.00 0.00 C ATOM 1369 OE1 GLU A 82 118.064 0.614 12.322 1.00 0.00 O ATOM 1370 OE2 GLU A 82 116.032 1.011 11.730 1.00 0.00 O ATOM 0 H GLU A 82 118.926 1.482 7.037 1.00 0.00 H new ATOM 0 HA GLU A 82 120.015 2.550 9.576 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.560 1.711 8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 82 118.005 0.336 9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.574 2.746 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 82 116.949 2.882 10.328 1.00 0.00 H new ATOM 1377 N TYR A 83 120.522 -0.563 8.715 1.00 0.00 N ATOM 1378 CA TYR A 83 121.324 -1.759 9.100 1.00 0.00 C ATOM 1379 C TYR A 83 122.800 -1.563 8.739 1.00 0.00 C ATOM 1380 O TYR A 83 123.673 -2.194 9.300 1.00 0.00 O ATOM 1381 CB TYR A 83 120.724 -2.902 8.284 1.00 0.00 C ATOM 1382 CG TYR A 83 121.544 -4.148 8.493 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.706 -4.350 7.742 1.00 0.00 C ATOM 1384 CD2 TYR A 83 121.145 -5.100 9.436 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.472 -5.507 7.933 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.909 -6.258 9.629 1.00 0.00 C ATOM 1387 CZ TYR A 83 123.072 -6.461 8.877 1.00 0.00 C ATOM 1388 OH TYR A 83 123.825 -7.602 9.066 1.00 0.00 O ATOM 0 H TYR A 83 120.018 -0.646 7.832 1.00 0.00 H new ATOM 0 HA TYR A 83 121.290 -1.949 10.173 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.692 -3.077 8.587 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.705 -2.638 7.227 1.00 0.00 H new ATOM 0 HD1 TYR A 83 123.013 -3.613 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 83 120.248 -4.942 10.016 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.370 -5.663 7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 83 121.601 -6.994 10.357 1.00 0.00 H new ATOM 0 HH TYR A 83 123.409 -8.158 9.758 1.00 0.00 H new ATOM 1398 N LEU A 84 123.085 -0.698 7.806 1.00 0.00 N ATOM 1399 CA LEU A 84 124.504 -0.471 7.411 1.00 0.00 C ATOM 1400 C LEU A 84 125.151 0.558 8.343 1.00 0.00 C ATOM 1401 O LEU A 84 126.357 0.617 8.475 1.00 0.00 O ATOM 1402 CB LEU A 84 124.432 0.052 5.977 1.00 0.00 C ATOM 1403 CG LEU A 84 123.612 -0.923 5.128 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.376 -0.331 3.737 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.371 -2.247 4.994 1.00 0.00 C ATOM 0 H LEU A 84 122.398 -0.139 7.300 1.00 0.00 H new ATOM 0 HA LEU A 84 125.109 -1.375 7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.975 1.041 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.435 0.158 5.565 1.00 0.00 H new ATOM 0 HG LEU A 84 122.651 -1.098 5.612 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.792 -1.030 3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.833 0.610 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.335 -0.150 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.787 -2.941 4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.333 -2.068 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.533 -2.675 5.983 1.00 0.00 H new ATOM 1417 N ILE A 85 124.357 1.364 8.994 1.00 0.00 N ATOM 1418 CA ILE A 85 124.929 2.379 9.923 1.00 0.00 C ATOM 1419 C ILE A 85 125.360 1.697 11.225 1.00 0.00 C ATOM 1420 O ILE A 85 126.075 2.262 12.028 1.00 0.00 O ATOM 1421 CB ILE A 85 123.790 3.368 10.180 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.647 4.303 8.977 1.00 0.00 C ATOM 1423 CG2 ILE A 85 124.100 4.195 11.431 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.403 5.176 9.151 1.00 0.00 C ATOM 0 H ILE A 85 123.339 1.363 8.923 1.00 0.00 H new ATOM 0 HA ILE A 85 125.808 2.877 9.514 1.00 0.00 H new ATOM 0 HB ILE A 85 122.861 2.818 10.329 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.534 4.930 8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.570 3.721 8.058 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.288 4.899 11.612 1.00 0.00 H new ATOM 0 HG22 ILE A 85 124.204 3.531 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 85 125.030 4.744 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.303 5.841 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.520 4.541 9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.499 5.769 10.061 1.00 0.00 H new ATOM 1436 N LYS A 86 124.927 0.483 11.436 1.00 0.00 N ATOM 1437 CA LYS A 86 125.309 -0.243 12.679 1.00 0.00 C ATOM 1438 C LYS A 86 126.359 -1.312 12.361 1.00 0.00 C ATOM 1439 O LYS A 86 127.370 -1.419 13.024 1.00 0.00 O ATOM 1440 CB LYS A 86 124.013 -0.891 13.170 1.00 0.00 C ATOM 1441 CG LYS A 86 124.055 -1.033 14.693 1.00 0.00 C ATOM 1442 CD LYS A 86 124.755 -2.341 15.066 1.00 0.00 C ATOM 1443 CE LYS A 86 125.570 -2.139 16.344 1.00 0.00 C ATOM 1444 NZ LYS A 86 126.824 -1.468 15.898 1.00 0.00 N ATOM 0 H LYS A 86 124.324 -0.037 10.799 1.00 0.00 H new ATOM 0 HA LYS A 86 125.744 0.417 13.430 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.157 -0.285 12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 86 123.886 -1.869 12.707 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.584 -0.187 15.133 1.00 0.00 H new ATOM 0 HG3 LYS A 86 123.043 -1.022 15.098 1.00 0.00 H new ATOM 0 HD2 LYS A 86 124.018 -3.131 15.213 1.00 0.00 H new ATOM 0 HD3 LYS A 86 125.407 -2.661 14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 86 125.029 -1.526 17.065 1.00 0.00 H new ATOM 0 HE3 LYS A 86 125.783 -3.091 16.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 127.643 -1.941 16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 126.898 -1.524 14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 126.806 -0.470 16.190 1.00 0.00 H new ATOM 1458 N THR A 87 126.127 -2.101 11.346 1.00 0.00 N ATOM 1459 CA THR A 87 127.115 -3.159 10.983 1.00 0.00 C ATOM 1460 C THR A 87 127.725 -2.863 9.610 1.00 0.00 C ATOM 1461 O THR A 87 128.593 -3.571 9.140 1.00 0.00 O ATOM 1462 CB THR A 87 126.310 -4.460 10.945 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.204 -5.564 10.919 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.430 -4.484 9.695 1.00 0.00 C ATOM 0 H THR A 87 125.298 -2.059 10.753 1.00 0.00 H new ATOM 0 HA THR A 87 127.941 -3.213 11.692 1.00 0.00 H new ATOM 0 HB THR A 87 125.677 -4.523 11.830 1.00 0.00 H new ATOM 0 HG1 THR A 87 127.987 -5.338 10.375 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.858 -5.411 9.671 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.746 -3.636 9.716 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.058 -4.422 8.806 1.00 0.00 H new ATOM 1472 N GLY A 88 127.279 -1.820 8.964 1.00 0.00 N ATOM 1473 CA GLY A 88 127.835 -1.477 7.623 1.00 0.00 C ATOM 1474 C GLY A 88 129.034 -0.543 7.794 1.00 0.00 C ATOM 1475 O GLY A 88 129.267 0.337 6.993 1.00 0.00 O ATOM 0 H GLY A 88 126.553 -1.190 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 88 128.138 -2.384 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.070 -0.997 7.012 1.00 0.00 H new ATOM 1479 N SER A 89 129.793 -0.731 8.839 1.00 0.00 N ATOM 1480 CA SER A 89 130.984 0.139 9.086 1.00 0.00 C ATOM 1481 C SER A 89 130.537 1.518 9.578 1.00 0.00 C ATOM 1482 O SER A 89 129.470 1.993 9.245 1.00 0.00 O ATOM 1483 CB SER A 89 131.704 0.250 7.741 1.00 0.00 C ATOM 1484 OG SER A 89 133.075 0.551 7.965 1.00 0.00 O ATOM 0 H SER A 89 129.639 -1.456 9.540 1.00 0.00 H new ATOM 0 HA SER A 89 131.639 -0.276 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.611 -0.684 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.244 1.028 7.132 1.00 0.00 H new ATOM 0 HG SER A 89 133.539 0.621 7.105 1.00 0.00 H new ATOM 1490 N GLU A 90 131.347 2.160 10.374 1.00 0.00 N ATOM 1491 CA GLU A 90 130.976 3.506 10.900 1.00 0.00 C ATOM 1492 C GLU A 90 130.890 4.525 9.760 1.00 0.00 C ATOM 1493 O GLU A 90 130.461 5.646 9.948 1.00 0.00 O ATOM 1494 CB GLU A 90 132.107 3.875 11.856 1.00 0.00 C ATOM 1495 CG GLU A 90 132.125 2.890 13.027 1.00 0.00 C ATOM 1496 CD GLU A 90 132.590 3.610 14.294 1.00 0.00 C ATOM 1497 OE1 GLU A 90 132.336 4.799 14.401 1.00 0.00 O ATOM 1498 OE2 GLU A 90 133.191 2.962 15.135 1.00 0.00 O ATOM 0 H GLU A 90 132.253 1.810 10.684 1.00 0.00 H new ATOM 0 HA GLU A 90 130.003 3.501 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.063 3.852 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 90 131.970 4.892 12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.130 2.471 13.179 1.00 0.00 H new ATOM 0 HG3 GLU A 90 132.791 2.057 12.804 1.00 0.00 H new ATOM 1505 N ARG A 91 131.290 4.146 8.578 1.00 0.00 N ATOM 1506 CA ARG A 91 131.225 5.096 7.431 1.00 0.00 C ATOM 1507 C ARG A 91 129.770 5.300 7.012 1.00 0.00 C ATOM 1508 O ARG A 91 129.355 6.390 6.669 1.00 0.00 O ATOM 1509 CB ARG A 91 132.019 4.422 6.310 1.00 0.00 C ATOM 1510 CG ARG A 91 133.467 4.219 6.760 1.00 0.00 C ATOM 1511 CD ARG A 91 134.347 5.319 6.162 1.00 0.00 C ATOM 1512 NE ARG A 91 134.720 4.820 4.809 1.00 0.00 N ATOM 1513 CZ ARG A 91 134.882 5.662 3.825 1.00 0.00 C ATOM 1514 NH1 ARG A 91 135.514 6.785 4.024 1.00 0.00 N ATOM 1515 NH2 ARG A 91 134.409 5.379 2.642 1.00 0.00 N ATOM 0 H ARG A 91 131.659 3.221 8.356 1.00 0.00 H new ATOM 0 HA ARG A 91 131.630 6.077 7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.568 3.463 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 91 131.990 5.036 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 91 133.527 4.242 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.824 3.240 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 91 133.809 6.265 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 91 135.231 5.495 6.775 1.00 0.00 H new ATOM 0 HE ARG A 91 134.849 3.820 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.882 7.006 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 91 135.640 7.442 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 91 133.914 4.501 2.488 1.00 0.00 H new ATOM 0 HH22 ARG A 91 134.535 6.036 1.872 1.00 0.00 H new ATOM 1529 N VAL A 92 128.991 4.256 7.041 1.00 0.00 N ATOM 1530 CA VAL A 92 127.561 4.378 6.651 1.00 0.00 C ATOM 1531 C VAL A 92 126.853 5.378 7.569 1.00 0.00 C ATOM 1532 O VAL A 92 125.905 6.031 7.180 1.00 0.00 O ATOM 1533 CB VAL A 92 126.986 2.975 6.832 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.489 2.993 6.516 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.696 2.006 5.882 1.00 0.00 C ATOM 0 H VAL A 92 129.285 3.320 7.319 1.00 0.00 H new ATOM 0 HA VAL A 92 127.433 4.740 5.631 1.00 0.00 H new ATOM 0 HB VAL A 92 127.137 2.651 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.078 1.992 6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 92 124.983 3.683 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.338 3.317 5.486 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.286 1.004 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.545 2.330 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.763 1.993 6.106 1.00 0.00 H new ATOM 1545 N SER A 93 127.311 5.506 8.784 1.00 0.00 N ATOM 1546 CA SER A 93 126.669 6.468 9.725 1.00 0.00 C ATOM 1547 C SER A 93 127.228 7.875 9.497 1.00 0.00 C ATOM 1548 O SER A 93 126.509 8.853 9.542 1.00 0.00 O ATOM 1549 CB SER A 93 127.035 5.963 11.121 1.00 0.00 C ATOM 1550 OG SER A 93 128.323 6.447 11.475 1.00 0.00 O ATOM 0 H SER A 93 128.101 4.987 9.166 1.00 0.00 H new ATOM 0 HA SER A 93 125.589 6.527 9.586 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.295 6.300 11.847 1.00 0.00 H new ATOM 0 HB3 SER A 93 127.026 4.873 11.139 1.00 0.00 H new ATOM 0 HG SER A 93 129.005 5.978 10.950 1.00 0.00 H new ATOM 1556 N GLN A 94 128.504 7.984 9.242 1.00 0.00 N ATOM 1557 CA GLN A 94 129.099 9.328 9.001 1.00 0.00 C ATOM 1558 C GLN A 94 128.393 10.000 7.826 1.00 0.00 C ATOM 1559 O GLN A 94 127.833 11.070 7.952 1.00 0.00 O ATOM 1560 CB GLN A 94 130.567 9.062 8.670 1.00 0.00 C ATOM 1561 CG GLN A 94 131.332 8.746 9.957 1.00 0.00 C ATOM 1562 CD GLN A 94 132.821 9.033 9.750 1.00 0.00 C ATOM 1563 OE1 GLN A 94 133.426 8.524 8.828 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.439 9.833 10.575 1.00 0.00 N ATOM 0 H GLN A 94 129.158 7.203 9.190 1.00 0.00 H new ATOM 0 HA GLN A 94 128.996 9.991 9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.648 8.228 7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.003 9.932 8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.946 9.348 10.779 1.00 0.00 H new ATOM 0 HG3 GLN A 94 131.187 7.701 10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.930 10.260 11.349 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.431 10.031 10.446 1.00 0.00 H new ATOM 1573 N GLN A 95 128.405 9.370 6.688 1.00 0.00 N ATOM 1574 CA GLN A 95 127.722 9.964 5.503 1.00 0.00 C ATOM 1575 C GLN A 95 126.279 10.313 5.869 1.00 0.00 C ATOM 1576 O GLN A 95 125.737 11.304 5.422 1.00 0.00 O ATOM 1577 CB GLN A 95 127.760 8.873 4.433 1.00 0.00 C ATOM 1578 CG GLN A 95 127.105 9.392 3.151 1.00 0.00 C ATOM 1579 CD GLN A 95 127.648 8.614 1.951 1.00 0.00 C ATOM 1580 OE1 GLN A 95 128.571 7.836 2.084 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.111 8.793 0.775 1.00 0.00 N ATOM 0 H GLN A 95 128.857 8.470 6.524 1.00 0.00 H new ATOM 0 HA GLN A 95 128.200 10.880 5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.791 8.580 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.238 7.984 4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.023 9.279 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 95 127.309 10.456 3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 95 126.336 9.446 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 95 127.467 8.280 -0.031 1.00 0.00 H new ATOM 1590 N CYS A 96 125.658 9.511 6.691 1.00 0.00 N ATOM 1591 CA CYS A 96 124.255 9.804 7.097 1.00 0.00 C ATOM 1592 C CYS A 96 124.177 11.210 7.690 1.00 0.00 C ATOM 1593 O CYS A 96 123.288 11.979 7.384 1.00 0.00 O ATOM 1594 CB CYS A 96 123.918 8.753 8.155 1.00 0.00 C ATOM 1595 SG CYS A 96 122.149 8.371 8.087 1.00 0.00 S ATOM 0 H CYS A 96 126.061 8.667 7.098 1.00 0.00 H new ATOM 0 HA CYS A 96 123.559 9.767 6.259 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.503 7.849 7.984 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.183 9.121 9.146 1.00 0.00 H new ATOM 0 HG CYS A 96 121.889 7.710 6.998 1.00 0.00 H new ATOM 1601 N LYS A 97 125.113 11.551 8.530 1.00 0.00 N ATOM 1602 CA LYS A 97 125.107 12.913 9.139 1.00 0.00 C ATOM 1603 C LYS A 97 125.349 13.964 8.056 1.00 0.00 C ATOM 1604 O LYS A 97 124.657 14.959 7.972 1.00 0.00 O ATOM 1605 CB LYS A 97 126.257 12.905 10.147 1.00 0.00 C ATOM 1606 CG LYS A 97 126.178 14.158 11.021 1.00 0.00 C ATOM 1607 CD LYS A 97 127.462 14.291 11.842 1.00 0.00 C ATOM 1608 CE LYS A 97 127.575 13.107 12.806 1.00 0.00 C ATOM 1609 NZ LYS A 97 126.247 13.027 13.475 1.00 0.00 N ATOM 0 H LYS A 97 125.882 10.948 8.822 1.00 0.00 H new ATOM 0 HA LYS A 97 124.156 13.153 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.204 12.011 10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.213 12.873 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 97 126.040 15.041 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.315 14.098 11.684 1.00 0.00 H new ATOM 0 HD2 LYS A 97 128.328 14.320 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.455 15.228 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 97 127.805 12.184 12.273 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.374 13.263 13.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 126.349 12.550 14.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 125.874 13.987 13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 125.589 12.489 12.876 1.00 0.00 H new ATOM 1623 N GLU A 98 126.325 13.743 7.221 1.00 0.00 N ATOM 1624 CA GLU A 98 126.615 14.718 6.132 1.00 0.00 C ATOM 1625 C GLU A 98 125.439 14.770 5.157 1.00 0.00 C ATOM 1626 O GLU A 98 125.310 15.684 4.365 1.00 0.00 O ATOM 1627 CB GLU A 98 127.866 14.176 5.438 1.00 0.00 C ATOM 1628 CG GLU A 98 128.996 14.049 6.459 1.00 0.00 C ATOM 1629 CD GLU A 98 129.718 15.392 6.591 1.00 0.00 C ATOM 1630 OE1 GLU A 98 129.176 16.271 7.241 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.798 15.517 6.039 1.00 0.00 O ATOM 0 H GLU A 98 126.936 12.927 7.245 1.00 0.00 H new ATOM 0 HA GLU A 98 126.767 15.730 6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.655 13.205 4.989 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.165 14.843 4.629 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.595 13.743 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.698 13.276 6.146 1.00 0.00 H new ATOM 1638 N ASN A 99 124.576 13.793 5.213 1.00 0.00 N ATOM 1639 CA ASN A 99 123.403 13.774 4.302 1.00 0.00 C ATOM 1640 C ASN A 99 122.117 13.595 5.114 1.00 0.00 C ATOM 1641 O ASN A 99 121.167 12.984 4.667 1.00 0.00 O ATOM 1642 CB ASN A 99 123.631 12.573 3.382 1.00 0.00 C ATOM 1643 CG ASN A 99 123.527 13.021 1.923 1.00 0.00 C ATOM 1644 OD1 ASN A 99 122.853 12.394 1.129 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.171 14.088 1.532 1.00 0.00 N ATOM 0 H ASN A 99 124.636 13.003 5.856 1.00 0.00 H new ATOM 0 HA ASN A 99 123.300 14.700 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.612 12.138 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.893 11.798 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 99 124.108 14.395 0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 99 124.737 14.615 2.198 1.00 0.00 H new ATOM 1652 N MET A 100 122.084 14.121 6.309 1.00 0.00 N ATOM 1653 CA MET A 100 120.865 13.981 7.154 1.00 0.00 C ATOM 1654 C MET A 100 119.669 14.649 6.472 1.00 0.00 C ATOM 1655 O MET A 100 118.534 14.262 6.669 1.00 0.00 O ATOM 1656 CB MET A 100 121.205 14.697 8.462 1.00 0.00 C ATOM 1657 CG MET A 100 121.226 13.685 9.609 1.00 0.00 C ATOM 1658 SD MET A 100 121.810 14.495 11.119 1.00 0.00 S ATOM 1659 CE MET A 100 120.642 15.876 11.102 1.00 0.00 C ATOM 0 H MET A 100 122.850 14.642 6.736 1.00 0.00 H new ATOM 0 HA MET A 100 120.595 12.938 7.319 1.00 0.00 H new ATOM 0 HB2 MET A 100 122.175 15.188 8.379 1.00 0.00 H new ATOM 0 HB3 MET A 100 120.470 15.476 8.664 1.00 0.00 H new ATOM 0 HG2 MET A 100 120.228 13.276 9.766 1.00 0.00 H new ATOM 0 HG3 MET A 100 121.877 12.848 9.358 1.00 0.00 H new ATOM 0 HE1 MET A 100 120.341 16.111 12.123 1.00 0.00 H new ATOM 0 HE2 MET A 100 121.117 16.749 10.654 1.00 0.00 H new ATOM 0 HE3 MET A 100 119.763 15.602 10.519 1.00 0.00 H new ATOM 1669 N TYR A 101 119.913 15.649 5.672 1.00 0.00 N ATOM 1670 CA TYR A 101 118.786 16.335 4.978 1.00 0.00 C ATOM 1671 C TYR A 101 118.139 15.385 3.970 1.00 0.00 C ATOM 1672 O TYR A 101 116.981 15.520 3.626 1.00 0.00 O ATOM 1673 CB TYR A 101 119.424 17.527 4.265 1.00 0.00 C ATOM 1674 CG TYR A 101 120.185 18.362 5.266 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.739 18.448 6.590 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.339 19.050 4.870 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.444 19.222 7.519 1.00 0.00 C ATOM 1678 CE2 TYR A 101 122.045 19.825 5.799 1.00 0.00 C ATOM 1679 CZ TYR A 101 121.597 19.910 7.124 1.00 0.00 C ATOM 1680 OH TYR A 101 122.294 20.674 8.039 1.00 0.00 O ATOM 0 H TYR A 101 120.841 16.021 5.469 1.00 0.00 H new ATOM 0 HA TYR A 101 118.003 16.650 5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.096 17.178 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.655 18.130 3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.850 17.916 6.895 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.684 18.983 3.849 1.00 0.00 H new ATOM 0 HE1 TYR A 101 120.098 19.288 8.540 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.934 20.357 5.494 1.00 0.00 H new ATOM 0 HH TYR A 101 123.069 21.083 7.601 1.00 0.00 H new ATOM 1690 N ALA A 102 118.878 14.418 3.498 1.00 0.00 N ATOM 1691 CA ALA A 102 118.310 13.451 2.516 1.00 0.00 C ATOM 1692 C ALA A 102 117.409 12.446 3.233 1.00 0.00 C ATOM 1693 O ALA A 102 116.353 12.087 2.753 1.00 0.00 O ATOM 1694 CB ALA A 102 119.522 12.745 1.913 1.00 0.00 C ATOM 0 H ALA A 102 119.853 14.256 3.751 1.00 0.00 H new ATOM 0 HA ALA A 102 117.702 13.940 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.188 12.014 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.167 13.479 1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 102 120.078 12.238 2.702 1.00 0.00 H new ATOM 1700 N VAL A 103 117.820 11.992 4.382 1.00 0.00 N ATOM 1701 CA VAL A 103 116.990 11.012 5.138 1.00 0.00 C ATOM 1702 C VAL A 103 115.796 11.725 5.779 1.00 0.00 C ATOM 1703 O VAL A 103 114.760 11.137 6.013 1.00 0.00 O ATOM 1704 CB VAL A 103 117.912 10.443 6.218 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.333 9.127 6.740 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.302 10.185 5.628 1.00 0.00 C ATOM 0 H VAL A 103 118.696 12.257 4.832 1.00 0.00 H new ATOM 0 HA VAL A 103 116.593 10.228 4.493 1.00 0.00 H new ATOM 0 HB VAL A 103 117.993 11.159 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.989 8.721 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.345 9.307 7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.252 8.414 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.956 9.780 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.223 9.471 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.718 11.121 5.255 1.00 0.00 H new ATOM 1716 N GLN A 104 115.938 12.991 6.061 1.00 0.00 N ATOM 1717 CA GLN A 104 114.818 13.747 6.683 1.00 0.00 C ATOM 1718 C GLN A 104 113.873 14.269 5.598 1.00 0.00 C ATOM 1719 O GLN A 104 112.693 14.450 5.824 1.00 0.00 O ATOM 1720 CB GLN A 104 115.485 14.908 7.422 1.00 0.00 C ATOM 1721 CG GLN A 104 116.217 14.378 8.658 1.00 0.00 C ATOM 1722 CD GLN A 104 117.054 15.499 9.275 1.00 0.00 C ATOM 1723 OE1 GLN A 104 117.507 16.388 8.581 1.00 0.00 O ATOM 1724 NE2 GLN A 104 117.283 15.495 10.560 1.00 0.00 N ATOM 0 H GLN A 104 116.784 13.534 5.887 1.00 0.00 H new ATOM 0 HA GLN A 104 114.222 13.129 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.187 15.417 6.762 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.736 15.642 7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.498 14.003 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 104 116.858 13.540 8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 104 116.903 14.749 11.143 1.00 0.00 H new ATOM 0 HE22 GLN A 104 117.842 16.237 10.981 1.00 0.00 H new ATOM 1733 N THR A 105 114.382 14.511 4.421 1.00 0.00 N ATOM 1734 CA THR A 105 113.509 15.017 3.323 1.00 0.00 C ATOM 1735 C THR A 105 112.304 14.091 3.147 1.00 0.00 C ATOM 1736 O THR A 105 111.264 14.495 2.667 1.00 0.00 O ATOM 1737 CB THR A 105 114.391 14.997 2.073 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.767 15.752 1.044 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.584 13.554 1.604 1.00 0.00 C ATOM 0 H THR A 105 115.363 14.381 4.172 1.00 0.00 H new ATOM 0 HA THR A 105 113.119 16.014 3.527 1.00 0.00 H new ATOM 0 HB THR A 105 115.362 15.433 2.307 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.331 15.742 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.212 13.542 0.714 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.063 12.976 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.614 13.115 1.370 1.00 0.00 H new ATOM 1747 N LEU A 106 112.437 12.852 3.537 1.00 0.00 N ATOM 1748 CA LEU A 106 111.299 11.900 3.395 1.00 0.00 C ATOM 1749 C LEU A 106 110.192 12.257 4.390 1.00 0.00 C ATOM 1750 O LEU A 106 109.019 12.174 4.084 1.00 0.00 O ATOM 1751 CB LEU A 106 111.888 10.525 3.714 1.00 0.00 C ATOM 1752 CG LEU A 106 112.797 10.077 2.568 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.332 8.671 2.856 1.00 0.00 C ATOM 1754 CD2 LEU A 106 112.001 10.056 1.261 1.00 0.00 C ATOM 0 H LEU A 106 113.284 12.459 3.947 1.00 0.00 H new ATOM 0 HA LEU A 106 110.855 11.928 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.454 10.568 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.087 9.800 3.861 1.00 0.00 H new ATOM 0 HG LEU A 106 113.631 10.773 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 106 113.979 8.354 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.900 8.681 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.497 7.976 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.649 9.737 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.166 9.361 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.619 11.055 1.051 1.00 0.00 H new ATOM 1766 N LYS A 107 110.555 12.657 5.578 1.00 0.00 N ATOM 1767 CA LYS A 107 109.520 13.023 6.588 1.00 0.00 C ATOM 1768 C LYS A 107 108.596 14.100 6.019 1.00 0.00 C ATOM 1769 O LYS A 107 107.461 14.240 6.429 1.00 0.00 O ATOM 1770 CB LYS A 107 110.307 13.566 7.784 1.00 0.00 C ATOM 1771 CG LYS A 107 109.334 13.954 8.900 1.00 0.00 C ATOM 1772 CD LYS A 107 110.119 14.495 10.098 1.00 0.00 C ATOM 1773 CE LYS A 107 110.096 16.026 10.076 1.00 0.00 C ATOM 1774 NZ LYS A 107 111.274 16.439 10.889 1.00 0.00 N ATOM 0 H LYS A 107 111.521 12.746 5.893 1.00 0.00 H new ATOM 0 HA LYS A 107 108.892 12.177 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 107 111.008 12.813 8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.896 14.432 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 107 108.634 14.708 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 107 108.744 13.088 9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.683 14.128 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 107 111.148 14.136 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.166 16.408 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 107 109.169 16.413 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 111.327 17.477 10.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 111.177 16.067 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 112.142 16.062 10.459 1.00 0.00 H new ATOM 1987 N VAL A 121 102.925 7.041 4.789 1.00 0.00 N ATOM 1988 CA VAL A 121 103.479 7.504 6.090 1.00 0.00 C ATOM 1989 C VAL A 121 104.645 6.611 6.520 1.00 0.00 C ATOM 1990 O VAL A 121 105.674 7.084 6.962 1.00 0.00 O ATOM 1991 CB VAL A 121 102.310 7.393 7.075 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.147 5.946 7.545 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.576 8.295 8.282 1.00 0.00 C ATOM 0 HA VAL A 121 103.871 8.520 6.038 1.00 0.00 H new ATOM 0 HB VAL A 121 101.394 7.706 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.313 5.882 8.244 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.950 5.304 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.061 5.619 8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.746 8.218 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.497 7.983 8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.675 9.328 7.949 1.00 0.00 H new ATOM 2003 N ASN A 122 104.487 5.322 6.393 1.00 0.00 N ATOM 2004 CA ASN A 122 105.580 4.387 6.792 1.00 0.00 C ATOM 2005 C ASN A 122 106.939 4.942 6.355 1.00 0.00 C ATOM 2006 O ASN A 122 107.883 4.962 7.116 1.00 0.00 O ATOM 2007 CB ASN A 122 105.277 3.085 6.052 1.00 0.00 C ATOM 2008 CG ASN A 122 104.662 2.075 7.023 1.00 0.00 C ATOM 2009 OD1 ASN A 122 105.344 1.207 7.528 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.390 2.152 7.306 1.00 0.00 N ATOM 0 H ASN A 122 103.646 4.874 6.029 1.00 0.00 H new ATOM 0 HA ASN A 122 105.625 4.245 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.591 3.275 5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 122 106.192 2.679 5.620 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.970 1.483 7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.816 2.881 6.882 1.00 0.00 H new ATOM 2017 N VAL A 123 107.042 5.391 5.136 1.00 0.00 N ATOM 2018 CA VAL A 123 108.337 5.947 4.652 1.00 0.00 C ATOM 2019 C VAL A 123 108.667 7.240 5.413 1.00 0.00 C ATOM 2020 O VAL A 123 109.789 7.470 5.810 1.00 0.00 O ATOM 2021 CB VAL A 123 108.108 6.208 3.151 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.752 7.531 2.720 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.723 5.065 2.343 1.00 0.00 C ATOM 0 H VAL A 123 106.285 5.397 4.453 1.00 0.00 H new ATOM 0 HA VAL A 123 109.181 5.276 4.814 1.00 0.00 H new ATOM 0 HB VAL A 123 107.035 6.268 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.576 7.692 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.314 8.351 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.825 7.492 2.908 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.564 5.244 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.793 5.010 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 123 108.252 4.124 2.627 1.00 0.00 H new ATOM 2033 N ARG A 124 107.695 8.086 5.609 1.00 0.00 N ATOM 2034 CA ARG A 124 107.950 9.365 6.332 1.00 0.00 C ATOM 2035 C ARG A 124 108.538 9.104 7.721 1.00 0.00 C ATOM 2036 O ARG A 124 109.677 9.427 7.997 1.00 0.00 O ATOM 2037 CB ARG A 124 106.574 10.025 6.451 1.00 0.00 C ATOM 2038 CG ARG A 124 106.730 11.436 7.021 1.00 0.00 C ATOM 2039 CD ARG A 124 105.357 11.974 7.432 1.00 0.00 C ATOM 2040 NE ARG A 124 105.433 12.131 8.912 1.00 0.00 N ATOM 2041 CZ ARG A 124 104.917 13.186 9.483 1.00 0.00 C ATOM 2042 NH1 ARG A 124 105.449 14.361 9.284 1.00 0.00 N ATOM 2043 NH2 ARG A 124 103.872 13.065 10.256 1.00 0.00 N ATOM 0 H ARG A 124 106.733 7.948 5.300 1.00 0.00 H new ATOM 0 HA ARG A 124 108.670 9.992 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.094 10.068 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.929 9.430 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.399 11.420 7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 124 107.182 12.092 6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.143 12.925 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.562 11.285 7.148 1.00 0.00 H new ATOM 0 HE ARG A 124 105.888 11.415 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 124 106.267 14.455 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 124 105.046 15.185 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.458 12.146 10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 124 103.469 13.889 10.702 1.00 0.00 H new ATOM 2057 N GLU A 125 107.764 8.537 8.601 1.00 0.00 N ATOM 2058 CA GLU A 125 108.261 8.268 9.985 1.00 0.00 C ATOM 2059 C GLU A 125 109.480 7.337 9.969 1.00 0.00 C ATOM 2060 O GLU A 125 110.384 7.474 10.768 1.00 0.00 O ATOM 2061 CB GLU A 125 107.088 7.596 10.699 1.00 0.00 C ATOM 2062 CG GLU A 125 106.117 8.664 11.206 1.00 0.00 C ATOM 2063 CD GLU A 125 104.995 7.998 12.005 1.00 0.00 C ATOM 2064 OE1 GLU A 125 105.208 6.893 12.478 1.00 0.00 O ATOM 2065 OE2 GLU A 125 103.943 8.603 12.130 1.00 0.00 O ATOM 0 H GLU A 125 106.803 8.245 8.424 1.00 0.00 H new ATOM 0 HA GLU A 125 108.583 9.184 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.575 6.917 10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.452 6.996 11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.646 9.383 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.699 9.219 10.366 1.00 0.00 H new ATOM 2072 N LYS A 126 109.510 6.390 9.074 1.00 0.00 N ATOM 2073 CA LYS A 126 110.670 5.450 9.022 1.00 0.00 C ATOM 2074 C LYS A 126 111.976 6.223 8.830 1.00 0.00 C ATOM 2075 O LYS A 126 112.911 6.080 9.593 1.00 0.00 O ATOM 2076 CB LYS A 126 110.398 4.551 7.816 1.00 0.00 C ATOM 2077 CG LYS A 126 111.587 3.613 7.600 1.00 0.00 C ATOM 2078 CD LYS A 126 111.364 2.315 8.379 1.00 0.00 C ATOM 2079 CE LYS A 126 112.411 2.197 9.488 1.00 0.00 C ATOM 2080 NZ LYS A 126 113.125 0.922 9.207 1.00 0.00 N ATOM 0 H LYS A 126 108.784 6.224 8.377 1.00 0.00 H new ATOM 0 HA LYS A 126 110.775 4.878 9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.489 3.972 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.234 5.158 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.704 3.396 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.508 4.094 7.931 1.00 0.00 H new ATOM 0 HD2 LYS A 126 110.362 2.304 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 126 111.433 1.459 7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 126 113.096 3.044 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 126 111.943 2.179 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.861 0.770 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 112.448 0.133 9.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 113.566 0.971 8.266 1.00 0.00 H new ATOM 2094 N ALA A 127 112.045 7.040 7.819 1.00 0.00 N ATOM 2095 CA ALA A 127 113.290 7.825 7.574 1.00 0.00 C ATOM 2096 C ALA A 127 113.630 8.668 8.805 1.00 0.00 C ATOM 2097 O ALA A 127 114.775 8.785 9.194 1.00 0.00 O ATOM 2098 CB ALA A 127 112.960 8.724 6.383 1.00 0.00 C ATOM 0 H ALA A 127 111.293 7.200 7.149 1.00 0.00 H new ATOM 0 HA ALA A 127 114.152 7.187 7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.828 9.337 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.697 8.107 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.120 9.370 6.637 1.00 0.00 H new ATOM 2104 N LYS A 128 112.643 9.255 9.424 1.00 0.00 N ATOM 2105 CA LYS A 128 112.908 10.089 10.630 1.00 0.00 C ATOM 2106 C LYS A 128 113.505 9.230 11.747 1.00 0.00 C ATOM 2107 O LYS A 128 114.317 9.685 12.527 1.00 0.00 O ATOM 2108 CB LYS A 128 111.539 10.626 11.046 1.00 0.00 C ATOM 2109 CG LYS A 128 111.717 11.698 12.124 1.00 0.00 C ATOM 2110 CD LYS A 128 110.409 11.865 12.900 1.00 0.00 C ATOM 2111 CE LYS A 128 110.645 11.537 14.376 1.00 0.00 C ATOM 2112 NZ LYS A 128 109.880 12.571 15.127 1.00 0.00 N ATOM 0 H LYS A 128 111.663 9.193 9.146 1.00 0.00 H new ATOM 0 HA LYS A 128 113.619 10.890 10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 128 111.023 11.046 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.918 9.814 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 128 112.521 11.416 12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 128 112.004 12.645 11.666 1.00 0.00 H new ATOM 0 HD2 LYS A 128 110.041 12.886 12.798 1.00 0.00 H new ATOM 0 HD3 LYS A 128 109.643 11.208 12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 128 110.295 10.534 14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 128 111.706 11.573 14.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 109.993 12.413 16.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 110.240 13.515 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 108.873 12.508 14.876 1.00 0.00 H new ATOM 2126 N GLN A 129 113.104 7.991 11.832 1.00 0.00 N ATOM 2127 CA GLN A 129 113.643 7.102 12.902 1.00 0.00 C ATOM 2128 C GLN A 129 115.156 6.916 12.737 1.00 0.00 C ATOM 2129 O GLN A 129 115.896 6.902 13.699 1.00 0.00 O ATOM 2130 CB GLN A 129 112.918 5.769 12.711 1.00 0.00 C ATOM 2131 CG GLN A 129 113.349 4.794 13.809 1.00 0.00 C ATOM 2132 CD GLN A 129 112.344 3.644 13.894 1.00 0.00 C ATOM 2133 OE1 GLN A 129 111.704 3.454 14.909 1.00 0.00 O ATOM 2134 NE2 GLN A 129 112.177 2.862 12.862 1.00 0.00 N ATOM 0 H GLN A 129 112.426 7.555 11.207 1.00 0.00 H new ATOM 0 HA GLN A 129 113.484 7.518 13.897 1.00 0.00 H new ATOM 0 HB2 GLN A 129 111.839 5.921 12.747 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.149 5.354 11.730 1.00 0.00 H new ATOM 0 HG2 GLN A 129 114.345 4.406 13.595 1.00 0.00 H new ATOM 0 HG3 GLN A 129 113.408 5.311 14.767 1.00 0.00 H new ATOM 0 HE21 GLN A 129 112.714 3.021 12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 129 111.510 2.092 12.908 1.00 0.00 H new ATOM 2143 N LEU A 130 115.618 6.768 11.525 1.00 0.00 N ATOM 2144 CA LEU A 130 117.082 6.576 11.306 1.00 0.00 C ATOM 2145 C LEU A 130 117.862 7.802 11.783 1.00 0.00 C ATOM 2146 O LEU A 130 118.788 7.698 12.563 1.00 0.00 O ATOM 2147 CB LEU A 130 117.235 6.396 9.794 1.00 0.00 C ATOM 2148 CG LEU A 130 118.412 5.462 9.508 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.081 4.572 8.308 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.657 6.294 9.197 1.00 0.00 C ATOM 0 H LEU A 130 115.048 6.772 10.679 1.00 0.00 H new ATOM 0 HA LEU A 130 117.471 5.723 11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.319 5.984 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 130 117.399 7.362 9.317 1.00 0.00 H new ATOM 0 HG LEU A 130 118.599 4.837 10.381 1.00 0.00 H new ATOM 0 HD11 LEU A 130 118.921 3.907 8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 130 117.194 3.979 8.529 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.893 5.195 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.497 5.630 8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 130 119.468 6.919 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.894 6.927 10.052 1.00 0.00 H new ATOM 2162 N VAL A 131 117.494 8.960 11.318 1.00 0.00 N ATOM 2163 CA VAL A 131 118.212 10.198 11.739 1.00 0.00 C ATOM 2164 C VAL A 131 117.996 10.459 13.232 1.00 0.00 C ATOM 2165 O VAL A 131 118.801 11.095 13.884 1.00 0.00 O ATOM 2166 CB VAL A 131 117.587 11.318 10.906 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.952 12.673 11.512 1.00 0.00 C ATOM 2168 CG2 VAL A 131 118.116 11.244 9.473 1.00 0.00 C ATOM 0 H VAL A 131 116.726 9.106 10.663 1.00 0.00 H new ATOM 0 HA VAL A 131 119.288 10.122 11.584 1.00 0.00 H new ATOM 0 HB VAL A 131 116.503 11.203 10.902 1.00 0.00 H new ATOM 0 HG11 VAL A 131 117.506 13.470 10.917 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.575 12.728 12.533 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.036 12.789 11.518 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.671 12.042 8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 131 119.200 11.358 9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 131 117.855 10.279 9.038 1.00 0.00 H new ATOM 2178 N ALA A 132 116.914 9.977 13.777 1.00 0.00 N ATOM 2179 CA ALA A 132 116.643 10.202 15.226 1.00 0.00 C ATOM 2180 C ALA A 132 117.684 9.479 16.085 1.00 0.00 C ATOM 2181 O ALA A 132 118.343 10.076 16.912 1.00 0.00 O ATOM 2182 CB ALA A 132 115.252 9.613 15.463 1.00 0.00 C ATOM 0 H ALA A 132 116.205 9.436 13.282 1.00 0.00 H new ATOM 0 HA ALA A 132 116.693 11.257 15.494 1.00 0.00 H new ATOM 0 HB1 ALA A 132 114.977 9.739 16.510 1.00 0.00 H new ATOM 0 HB2 ALA A 132 114.527 10.128 14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.259 8.552 15.215 1.00 0.00 H new ATOM 2188 N LEU A 133 117.835 8.197 15.900 1.00 0.00 N ATOM 2189 CA LEU A 133 118.832 7.439 16.710 1.00 0.00 C ATOM 2190 C LEU A 133 120.241 7.986 16.466 1.00 0.00 C ATOM 2191 O LEU A 133 120.927 8.391 17.383 1.00 0.00 O ATOM 2192 CB LEU A 133 118.724 5.996 16.222 1.00 0.00 C ATOM 2193 CG LEU A 133 118.056 5.143 17.302 1.00 0.00 C ATOM 2194 CD1 LEU A 133 117.350 3.953 16.649 1.00 0.00 C ATOM 2195 CD2 LEU A 133 119.119 4.632 18.277 1.00 0.00 C ATOM 0 H LEU A 133 117.312 7.641 15.224 1.00 0.00 H new ATOM 0 HA LEU A 133 118.642 7.522 17.780 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.144 5.955 15.300 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.715 5.603 15.993 1.00 0.00 H new ATOM 0 HG LEU A 133 117.326 5.747 17.842 1.00 0.00 H new ATOM 0 HD11 LEU A 133 116.874 3.345 17.419 1.00 0.00 H new ATOM 0 HD12 LEU A 133 116.593 4.316 15.954 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.079 3.349 16.109 1.00 0.00 H new ATOM 0 HD21 LEU A 133 118.644 4.024 19.047 1.00 0.00 H new ATOM 0 HD22 LEU A 133 119.848 4.029 17.737 1.00 0.00 H new ATOM 0 HD23 LEU A 133 119.623 5.479 18.743 1.00 0.00 H new ATOM 2207 N LEU A 134 120.678 8.000 15.237 1.00 0.00 N ATOM 2208 CA LEU A 134 122.044 8.521 14.940 1.00 0.00 C ATOM 2209 C LEU A 134 122.273 9.846 15.671 1.00 0.00 C ATOM 2210 O LEU A 134 123.247 10.017 16.377 1.00 0.00 O ATOM 2211 CB LEU A 134 122.069 8.732 13.427 1.00 0.00 C ATOM 2212 CG LEU A 134 122.778 7.552 12.762 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.817 6.367 12.668 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.228 7.956 11.356 1.00 0.00 C ATOM 0 H LEU A 134 120.151 7.674 14.427 1.00 0.00 H new ATOM 0 HA LEU A 134 122.827 7.837 15.268 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.052 8.822 13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.584 9.662 13.187 1.00 0.00 H new ATOM 0 HG LEU A 134 123.647 7.268 13.355 1.00 0.00 H new ATOM 0 HD11 LEU A 134 122.322 5.526 12.194 1.00 0.00 H new ATOM 0 HD12 LEU A 134 121.495 6.080 13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 134 120.948 6.650 12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.734 7.116 10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 134 122.358 8.239 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 134 123.913 8.801 11.422 1.00 0.00 H new