USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 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 81 MET CE :methyl 136:sc= -7.84! (180deg=-9.01!) USER MOD Set 1.2: A 96 CYS SG : rot -76:sc= -2.15 USER MOD Set 2.1: A 57 MET CE :methyl -158:sc= -1.82 (180deg=-4!) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.0845 X(o=-1.9,f=-1.7) USER MOD Set 3.1: A 41 SER OG : rot 53:sc= 0.815 USER MOD Set 3.2: A 83 TYR OH : rot 130:sc= -0.576! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -103:sc= 1.21 USER MOD Single : A 40 MET CE :methyl 147:sc= -0.975 (180deg=-1.8!) USER MOD Single : A 47 THR OG1 : rot -74:sc= -2.61! USER MOD Single : A 48 TYR OH : rot 111:sc= 0.817 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 96:sc= 1.14 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 148:sc= -0.135 (180deg=-1.13) USER MOD Single : A 65 ASN : amide:sc=-8.5e-05 X(o=-8.5e-05,f=-0.086) USER MOD Single : A 73 HIS : no HD1:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= -0.245 (180deg=-1.05) USER MOD Single : A 78 MET CE :methyl -139:sc= -10.2! (180deg=-12.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0161 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 78:sc= -0.0612 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0635 K(o=-0.063,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.59) USER MOD Single : A 100 MET CE :methyl 144:sc= -0.21 (180deg=-1.55!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.32) 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 122 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.19) USER MOD Single : A 126 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 130.090 -5.528 -6.578 1.00 0.00 N ATOM 356 CA GLU A 19 128.653 -5.679 -6.947 1.00 0.00 C ATOM 357 C GLU A 19 127.756 -5.270 -5.774 1.00 0.00 C ATOM 358 O GLU A 19 126.609 -5.662 -5.695 1.00 0.00 O ATOM 359 CB GLU A 19 128.481 -7.165 -7.262 1.00 0.00 C ATOM 360 CG GLU A 19 128.394 -7.357 -8.777 1.00 0.00 C ATOM 361 CD GLU A 19 128.105 -8.825 -9.091 1.00 0.00 C ATOM 362 OE1 GLU A 19 126.992 -9.257 -8.837 1.00 0.00 O ATOM 363 OE2 GLU A 19 129.000 -9.494 -9.582 1.00 0.00 O ATOM 0 HA GLU A 19 128.375 -5.047 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 19 129.320 -7.733 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 19 127.579 -7.547 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 19 127.608 -6.725 -9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 19 129.329 -7.051 -9.247 1.00 0.00 H new ATOM 370 N ALA A 20 128.267 -4.484 -4.865 1.00 0.00 N ATOM 371 CA ALA A 20 127.437 -4.053 -3.703 1.00 0.00 C ATOM 372 C ALA A 20 126.171 -3.348 -4.194 1.00 0.00 C ATOM 373 O ALA A 20 125.072 -3.669 -3.784 1.00 0.00 O ATOM 374 CB ALA A 20 128.321 -3.083 -2.919 1.00 0.00 C ATOM 0 H ALA A 20 129.221 -4.122 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 20 127.116 -4.895 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.778 -2.721 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.227 -3.596 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.589 -2.239 -3.555 1.00 0.00 H new ATOM 380 N GLU A 21 126.313 -2.390 -5.069 1.00 0.00 N ATOM 381 CA GLU A 21 125.113 -1.670 -5.583 1.00 0.00 C ATOM 382 C GLU A 21 124.046 -2.678 -6.014 1.00 0.00 C ATOM 383 O GLU A 21 122.864 -2.400 -5.982 1.00 0.00 O ATOM 384 CB GLU A 21 125.611 -0.868 -6.786 1.00 0.00 C ATOM 385 CG GLU A 21 126.511 -1.750 -7.655 1.00 0.00 C ATOM 386 CD GLU A 21 126.365 -1.340 -9.121 1.00 0.00 C ATOM 387 OE1 GLU A 21 126.565 -0.172 -9.412 1.00 0.00 O ATOM 388 OE2 GLU A 21 126.052 -2.200 -9.928 1.00 0.00 O ATOM 0 H GLU A 21 127.206 -2.075 -5.449 1.00 0.00 H new ATOM 0 HA GLU A 21 124.661 -1.026 -4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 21 124.765 -0.507 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.162 0.009 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.550 -1.650 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.240 -2.798 -7.531 1.00 0.00 H new ATOM 395 N ILE A 22 124.456 -3.850 -6.415 1.00 0.00 N ATOM 396 CA ILE A 22 123.468 -4.879 -6.843 1.00 0.00 C ATOM 397 C ILE A 22 122.741 -5.443 -5.621 1.00 0.00 C ATOM 398 O ILE A 22 121.544 -5.648 -5.639 1.00 0.00 O ATOM 399 CB ILE A 22 124.298 -5.965 -7.526 1.00 0.00 C ATOM 400 CG1 ILE A 22 125.102 -5.344 -8.672 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.370 -7.044 -8.084 1.00 0.00 C ATOM 402 CD1 ILE A 22 124.143 -4.744 -9.702 1.00 0.00 C ATOM 0 H ILE A 22 125.433 -4.139 -6.465 1.00 0.00 H new ATOM 0 HA ILE A 22 122.706 -4.474 -7.509 1.00 0.00 H new ATOM 0 HB ILE A 22 124.978 -6.412 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 22 125.768 -4.572 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.730 -6.101 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.963 -7.818 -8.571 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.795 -7.486 -7.270 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.689 -6.599 -8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 22 124.715 -4.302 -10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 22 123.495 -5.527 -10.096 1.00 0.00 H new ATOM 0 HD13 ILE A 22 123.534 -3.975 -9.227 1.00 0.00 H new ATOM 414 N LYS A 23 123.454 -5.687 -4.555 1.00 0.00 N ATOM 415 CA LYS A 23 122.801 -6.229 -3.330 1.00 0.00 C ATOM 416 C LYS A 23 121.811 -5.204 -2.770 1.00 0.00 C ATOM 417 O LYS A 23 120.712 -5.541 -2.375 1.00 0.00 O ATOM 418 CB LYS A 23 123.943 -6.470 -2.342 1.00 0.00 C ATOM 419 CG LYS A 23 124.972 -7.414 -2.969 1.00 0.00 C ATOM 420 CD LYS A 23 124.979 -8.743 -2.211 1.00 0.00 C ATOM 421 CE LYS A 23 125.573 -9.837 -3.101 1.00 0.00 C ATOM 422 NZ LYS A 23 125.883 -10.961 -2.175 1.00 0.00 N ATOM 0 H LYS A 23 124.460 -5.534 -4.480 1.00 0.00 H new ATOM 0 HA LYS A 23 122.240 -7.142 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.415 -5.524 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.554 -6.900 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.732 -7.584 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.963 -6.961 -2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 23 125.563 -8.648 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.964 -9.011 -1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 23 124.867 -10.145 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 23 126.470 -9.487 -3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 126.295 -11.750 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 126.562 -10.641 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 125.009 -11.278 -1.709 1.00 0.00 H new ATOM 436 N VAL A 24 122.189 -3.954 -2.738 1.00 0.00 N ATOM 437 CA VAL A 24 121.265 -2.910 -2.210 1.00 0.00 C ATOM 438 C VAL A 24 120.032 -2.795 -3.113 1.00 0.00 C ATOM 439 O VAL A 24 118.950 -2.475 -2.666 1.00 0.00 O ATOM 440 CB VAL A 24 122.076 -1.611 -2.231 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.131 -0.410 -2.154 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.028 -1.584 -1.032 1.00 0.00 C ATOM 0 H VAL A 24 123.096 -3.612 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 24 120.904 -3.143 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 24 122.650 -1.561 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 24 121.712 0.512 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.453 -0.425 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 24 120.554 -0.460 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 24 123.605 -0.660 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 24 122.452 -1.637 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.706 -2.436 -1.086 1.00 0.00 H new ATOM 452 N ARG A 25 120.189 -3.057 -4.384 1.00 0.00 N ATOM 453 CA ARG A 25 119.025 -2.964 -5.312 1.00 0.00 C ATOM 454 C ARG A 25 117.952 -3.977 -4.910 1.00 0.00 C ATOM 455 O ARG A 25 116.774 -3.680 -4.901 1.00 0.00 O ATOM 456 CB ARG A 25 119.589 -3.295 -6.694 1.00 0.00 C ATOM 457 CG ARG A 25 118.618 -2.810 -7.772 1.00 0.00 C ATOM 458 CD ARG A 25 119.381 -2.560 -9.074 1.00 0.00 C ATOM 459 NE ARG A 25 118.355 -2.672 -10.148 1.00 0.00 N ATOM 460 CZ ARG A 25 118.712 -3.000 -11.360 1.00 0.00 C ATOM 461 NH1 ARG A 25 119.265 -2.112 -12.140 1.00 0.00 N ATOM 462 NH2 ARG A 25 118.513 -4.214 -11.792 1.00 0.00 N ATOM 0 H ARG A 25 121.071 -3.331 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 25 118.557 -1.980 -5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.561 -2.820 -6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.745 -4.370 -6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.837 -3.553 -7.933 1.00 0.00 H new ATOM 0 HG3 ARG A 25 118.125 -1.894 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 25 119.848 -1.575 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 25 120.178 -3.291 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 25 117.373 -2.492 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 25 119.418 -1.162 -11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.544 -2.368 -13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 25 118.078 -4.907 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 25 118.792 -4.470 -12.739 1.00 0.00 H new ATOM 476 N GLU A 26 118.355 -5.169 -4.577 1.00 0.00 N ATOM 477 CA GLU A 26 117.366 -6.207 -4.173 1.00 0.00 C ATOM 478 C GLU A 26 117.010 -6.047 -2.692 1.00 0.00 C ATOM 479 O GLU A 26 115.991 -6.524 -2.234 1.00 0.00 O ATOM 480 CB GLU A 26 118.072 -7.542 -4.414 1.00 0.00 C ATOM 481 CG GLU A 26 117.085 -8.691 -4.198 1.00 0.00 C ATOM 482 CD GLU A 26 117.330 -9.780 -5.244 1.00 0.00 C ATOM 483 OE1 GLU A 26 118.455 -10.241 -5.338 1.00 0.00 O ATOM 484 OE2 GLU A 26 116.388 -10.133 -5.934 1.00 0.00 O ATOM 0 H GLU A 26 119.329 -5.471 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 26 116.435 -6.132 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 26 118.470 -7.577 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.919 -7.645 -3.736 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.203 -9.102 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 26 116.061 -8.324 -4.273 1.00 0.00 H new ATOM 491 N ALA A 27 117.842 -5.377 -1.942 1.00 0.00 N ATOM 492 CA ALA A 27 117.551 -5.186 -0.492 1.00 0.00 C ATOM 493 C ALA A 27 116.564 -4.031 -0.297 1.00 0.00 C ATOM 494 O ALA A 27 115.993 -3.861 0.762 1.00 0.00 O ATOM 495 CB ALA A 27 118.902 -4.850 0.143 1.00 0.00 C ATOM 0 H ALA A 27 118.710 -4.954 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 27 117.098 -6.070 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.772 -4.694 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.597 -5.674 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 27 119.301 -3.942 -0.310 1.00 0.00 H new ATOM 501 N THR A 28 116.359 -3.236 -1.312 1.00 0.00 N ATOM 502 CA THR A 28 115.408 -2.094 -1.186 1.00 0.00 C ATOM 503 C THR A 28 114.086 -2.425 -1.882 1.00 0.00 C ATOM 504 O THR A 28 113.217 -1.587 -2.020 1.00 0.00 O ATOM 505 CB THR A 28 116.101 -0.922 -1.884 1.00 0.00 C ATOM 506 OG1 THR A 28 116.731 -1.386 -3.069 1.00 0.00 O ATOM 507 CG2 THR A 28 117.149 -0.316 -0.950 1.00 0.00 C ATOM 0 H THR A 28 116.809 -3.328 -2.223 1.00 0.00 H new ATOM 0 HA THR A 28 115.171 -1.868 -0.146 1.00 0.00 H new ATOM 0 HB THR A 28 115.363 -0.161 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 28 117.695 -1.470 -2.916 1.00 0.00 H new ATOM 0 HG21 THR A 28 117.642 0.519 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 28 116.664 0.040 -0.041 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.889 -1.074 -0.694 1.00 0.00 H new ATOM 644 N LEU A 39 120.923 -11.129 2.793 1.00 0.00 N ATOM 645 CA LEU A 39 121.340 -10.033 1.872 1.00 0.00 C ATOM 646 C LEU A 39 121.673 -8.766 2.667 1.00 0.00 C ATOM 647 O LEU A 39 122.674 -8.122 2.432 1.00 0.00 O ATOM 648 CB LEU A 39 120.132 -9.794 0.967 1.00 0.00 C ATOM 649 CG LEU A 39 120.393 -8.579 0.075 1.00 0.00 C ATOM 650 CD1 LEU A 39 120.852 -9.048 -1.306 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.105 -7.765 -0.066 1.00 0.00 C ATOM 0 HA LEU A 39 122.232 -10.293 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.944 -10.675 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 39 119.239 -9.630 1.570 1.00 0.00 H new ATOM 0 HG LEU A 39 121.169 -7.959 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 39 121.038 -8.182 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 39 121.769 -9.629 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 39 120.077 -9.668 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.290 -6.899 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.330 -8.386 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 39 118.777 -7.430 0.918 1.00 0.00 H new ATOM 663 N MET A 40 120.840 -8.405 3.604 1.00 0.00 N ATOM 664 CA MET A 40 121.109 -7.179 4.409 1.00 0.00 C ATOM 665 C MET A 40 122.491 -7.261 5.066 1.00 0.00 C ATOM 666 O MET A 40 123.247 -6.309 5.064 1.00 0.00 O ATOM 667 CB MET A 40 120.013 -7.157 5.475 1.00 0.00 C ATOM 668 CG MET A 40 119.073 -5.979 5.218 1.00 0.00 C ATOM 669 SD MET A 40 117.362 -6.567 5.177 1.00 0.00 S ATOM 670 CE MET A 40 116.694 -5.409 6.396 1.00 0.00 C ATOM 0 H MET A 40 119.985 -8.905 3.847 1.00 0.00 H new ATOM 0 HA MET A 40 121.104 -6.278 3.796 1.00 0.00 H new ATOM 0 HB2 MET A 40 119.454 -8.093 5.456 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.457 -7.071 6.467 1.00 0.00 H new ATOM 0 HG2 MET A 40 119.192 -5.228 5.999 1.00 0.00 H new ATOM 0 HG3 MET A 40 119.326 -5.498 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 40 115.663 -5.164 6.139 1.00 0.00 H new ATOM 0 HE2 MET A 40 116.722 -5.866 7.385 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.293 -4.498 6.399 1.00 0.00 H new ATOM 680 N SER A 41 122.826 -8.388 5.631 1.00 0.00 N ATOM 681 CA SER A 41 124.156 -8.526 6.291 1.00 0.00 C ATOM 682 C SER A 41 125.282 -8.450 5.255 1.00 0.00 C ATOM 683 O SER A 41 126.386 -8.040 5.555 1.00 0.00 O ATOM 684 CB SER A 41 124.127 -9.902 6.953 1.00 0.00 C ATOM 685 OG SER A 41 124.522 -9.778 8.313 1.00 0.00 O ATOM 0 H SER A 41 122.237 -9.220 5.665 1.00 0.00 H new ATOM 0 HA SER A 41 124.341 -7.729 7.011 1.00 0.00 H new ATOM 0 HB2 SER A 41 123.125 -10.327 6.891 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.796 -10.585 6.429 1.00 0.00 H new ATOM 0 HG SER A 41 123.974 -9.094 8.752 1.00 0.00 H new ATOM 691 N GLU A 42 125.014 -8.843 4.040 1.00 0.00 N ATOM 692 CA GLU A 42 126.075 -8.792 2.992 1.00 0.00 C ATOM 693 C GLU A 42 126.343 -7.342 2.579 1.00 0.00 C ATOM 694 O GLU A 42 127.476 -6.908 2.505 1.00 0.00 O ATOM 695 CB GLU A 42 125.512 -9.593 1.817 1.00 0.00 C ATOM 696 CG GLU A 42 125.717 -11.088 2.074 1.00 0.00 C ATOM 697 CD GLU A 42 126.970 -11.566 1.336 1.00 0.00 C ATOM 698 OE1 GLU A 42 128.002 -10.935 1.491 1.00 0.00 O ATOM 699 OE2 GLU A 42 126.874 -12.554 0.629 1.00 0.00 O ATOM 0 H GLU A 42 124.110 -9.196 3.727 1.00 0.00 H new ATOM 0 HA GLU A 42 127.023 -9.200 3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.451 -9.377 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 42 126.009 -9.301 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 42 125.819 -11.273 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.846 -11.649 1.735 1.00 0.00 H new ATOM 706 N ILE A 43 125.312 -6.588 2.312 1.00 0.00 N ATOM 707 CA ILE A 43 125.514 -5.166 1.906 1.00 0.00 C ATOM 708 C ILE A 43 126.303 -4.419 2.986 1.00 0.00 C ATOM 709 O ILE A 43 127.120 -3.569 2.693 1.00 0.00 O ATOM 710 CB ILE A 43 124.107 -4.588 1.770 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.335 -5.369 0.703 1.00 0.00 C ATOM 712 CG2 ILE A 43 124.198 -3.119 1.354 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.927 -4.790 0.565 1.00 0.00 C ATOM 0 H ILE A 43 124.340 -6.893 2.357 1.00 0.00 H new ATOM 0 HA ILE A 43 126.080 -5.076 0.979 1.00 0.00 H new ATOM 0 HB ILE A 43 123.589 -4.666 2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.857 -5.314 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 43 123.281 -6.423 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 43 123.194 -2.706 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.749 -2.560 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.716 -3.043 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.378 -5.346 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.406 -4.868 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.992 -3.742 0.272 1.00 0.00 H new ATOM 725 N ALA A 44 126.073 -4.734 4.231 1.00 0.00 N ATOM 726 CA ALA A 44 126.819 -4.045 5.323 1.00 0.00 C ATOM 727 C ALA A 44 128.282 -4.495 5.306 1.00 0.00 C ATOM 728 O ALA A 44 129.195 -3.689 5.306 1.00 0.00 O ATOM 729 CB ALA A 44 126.127 -4.479 6.614 1.00 0.00 C ATOM 0 H ALA A 44 125.402 -5.437 4.540 1.00 0.00 H new ATOM 0 HA ALA A 44 126.816 -2.960 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.620 -4.012 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.081 -4.172 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.185 -5.563 6.711 1.00 0.00 H new ATOM 735 N ASP A 45 128.517 -5.776 5.269 1.00 0.00 N ATOM 736 CA ASP A 45 129.923 -6.261 5.226 1.00 0.00 C ATOM 737 C ASP A 45 130.660 -5.538 4.099 1.00 0.00 C ATOM 738 O ASP A 45 131.870 -5.435 4.092 1.00 0.00 O ATOM 739 CB ASP A 45 129.820 -7.759 4.936 1.00 0.00 C ATOM 740 CG ASP A 45 129.998 -8.544 6.237 1.00 0.00 C ATOM 741 OD1 ASP A 45 130.848 -8.163 7.025 1.00 0.00 O ATOM 742 OD2 ASP A 45 129.280 -9.512 6.424 1.00 0.00 O ATOM 0 H ASP A 45 127.802 -6.503 5.267 1.00 0.00 H new ATOM 0 HA ASP A 45 130.469 -6.075 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 45 128.852 -7.988 4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 45 130.581 -8.054 4.214 1.00 0.00 H new ATOM 747 N LEU A 46 129.924 -5.033 3.145 1.00 0.00 N ATOM 748 CA LEU A 46 130.556 -4.308 2.010 1.00 0.00 C ATOM 749 C LEU A 46 130.861 -2.863 2.409 1.00 0.00 C ATOM 750 O LEU A 46 131.875 -2.308 2.035 1.00 0.00 O ATOM 751 CB LEU A 46 129.513 -4.343 0.894 1.00 0.00 C ATOM 752 CG LEU A 46 129.655 -5.640 0.096 1.00 0.00 C ATOM 753 CD1 LEU A 46 128.704 -5.606 -1.101 1.00 0.00 C ATOM 754 CD2 LEU A 46 131.097 -5.776 -0.400 1.00 0.00 C ATOM 0 H LEU A 46 128.907 -5.093 3.105 1.00 0.00 H new ATOM 0 HA LEU A 46 131.500 -4.760 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.511 -4.273 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.642 -3.484 0.236 1.00 0.00 H new ATOM 0 HG LEU A 46 129.408 -6.490 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 46 128.804 -6.530 -1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 46 127.678 -5.507 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 46 128.952 -4.757 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 46 131.200 -6.700 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 46 131.344 -4.927 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 46 131.775 -5.798 0.453 1.00 0.00 H new ATOM 766 N THR A 47 129.994 -2.246 3.165 1.00 0.00 N ATOM 767 CA THR A 47 130.253 -0.837 3.579 1.00 0.00 C ATOM 768 C THR A 47 131.659 -0.728 4.160 1.00 0.00 C ATOM 769 O THR A 47 132.377 0.218 3.901 1.00 0.00 O ATOM 770 CB THR A 47 129.203 -0.512 4.643 1.00 0.00 C ATOM 771 OG1 THR A 47 129.307 -1.431 5.720 1.00 0.00 O ATOM 772 CG2 THR A 47 127.810 -0.601 4.027 1.00 0.00 C ATOM 0 H THR A 47 129.125 -2.652 3.512 1.00 0.00 H new ATOM 0 HA THR A 47 130.188 -0.143 2.741 1.00 0.00 H new ATOM 0 HB THR A 47 129.372 0.498 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 47 128.946 -2.300 5.445 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.062 -0.370 4.785 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.729 0.112 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.643 -1.610 3.649 1.00 0.00 H new ATOM 780 N TYR A 48 132.064 -1.697 4.933 1.00 0.00 N ATOM 781 CA TYR A 48 133.438 -1.651 5.516 1.00 0.00 C ATOM 782 C TYR A 48 134.428 -1.234 4.431 1.00 0.00 C ATOM 783 O TYR A 48 135.263 -0.374 4.625 1.00 0.00 O ATOM 784 CB TYR A 48 133.730 -3.077 5.975 1.00 0.00 C ATOM 785 CG TYR A 48 132.936 -3.378 7.220 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.386 -2.921 8.464 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.754 -4.117 7.130 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.650 -3.204 9.620 1.00 0.00 C ATOM 789 CE2 TYR A 48 131.017 -4.401 8.286 1.00 0.00 C ATOM 790 CZ TYR A 48 131.466 -3.944 9.532 1.00 0.00 C ATOM 791 OH TYR A 48 130.742 -4.226 10.673 1.00 0.00 O ATOM 0 H TYR A 48 131.509 -2.514 5.186 1.00 0.00 H new ATOM 0 HA TYR A 48 133.521 -0.940 6.338 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.472 -3.784 5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.795 -3.195 6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.300 -2.350 8.532 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.409 -4.469 6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 48 132.996 -2.851 10.580 1.00 0.00 H new ATOM 0 HE2 TYR A 48 130.103 -4.972 8.217 1.00 0.00 H new ATOM 0 HH TYR A 48 129.898 -3.727 10.657 1.00 0.00 H new ATOM 801 N ASN A 49 134.322 -1.841 3.283 1.00 0.00 N ATOM 802 CA ASN A 49 135.233 -1.494 2.153 1.00 0.00 C ATOM 803 C ASN A 49 135.163 -0.009 1.851 1.00 0.00 C ATOM 804 O ASN A 49 134.794 0.799 2.679 1.00 0.00 O ATOM 805 CB ASN A 49 134.717 -2.308 0.966 1.00 0.00 C ATOM 806 CG ASN A 49 135.756 -3.362 0.580 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.248 -4.085 1.424 1.00 0.00 O ATOM 808 ND2 ASN A 49 136.114 -3.481 -0.670 1.00 0.00 N ATOM 0 H ASN A 49 133.638 -2.569 3.076 1.00 0.00 H new ATOM 0 HA ASN A 49 136.275 -1.718 2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.774 -2.789 1.224 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.518 -1.651 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 49 136.806 -4.181 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 49 135.701 -2.874 -1.379 1.00 0.00 H new ATOM 815 N VAL A 50 135.547 0.353 0.674 1.00 0.00 N ATOM 816 CA VAL A 50 135.550 1.779 0.302 1.00 0.00 C ATOM 817 C VAL A 50 134.736 1.965 -0.975 1.00 0.00 C ATOM 818 O VAL A 50 134.051 2.953 -1.153 1.00 0.00 O ATOM 819 CB VAL A 50 137.031 2.096 0.091 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.857 1.482 1.239 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.494 1.498 -1.239 1.00 0.00 C ATOM 0 H VAL A 50 135.863 -0.286 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 50 135.103 2.437 1.047 1.00 0.00 H new ATOM 0 HB VAL A 50 137.172 3.177 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.913 1.708 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.528 1.902 2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.715 0.401 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.550 1.723 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.352 0.417 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 50 136.910 1.927 -2.054 1.00 0.00 H new ATOM 831 N VAL A 51 134.787 1.004 -1.852 1.00 0.00 N ATOM 832 CA VAL A 51 133.997 1.099 -3.107 1.00 0.00 C ATOM 833 C VAL A 51 132.571 0.648 -2.847 1.00 0.00 C ATOM 834 O VAL A 51 131.635 1.422 -2.872 1.00 0.00 O ATOM 835 CB VAL A 51 134.660 0.120 -4.074 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.674 -0.250 -5.198 1.00 0.00 C ATOM 837 CG2 VAL A 51 135.908 0.770 -4.666 1.00 0.00 C ATOM 0 H VAL A 51 135.343 0.155 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 51 133.970 2.117 -3.496 1.00 0.00 H new ATOM 0 HB VAL A 51 134.942 -0.788 -3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.151 -0.948 -5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 51 132.788 -0.714 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.384 0.651 -5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.386 0.076 -5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.627 1.678 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.603 1.020 -3.864 1.00 0.00 H new ATOM 847 N ALA A 52 132.411 -0.626 -2.634 1.00 0.00 N ATOM 848 CA ALA A 52 131.061 -1.182 -2.410 1.00 0.00 C ATOM 849 C ALA A 52 130.241 -0.241 -1.526 1.00 0.00 C ATOM 850 O ALA A 52 129.075 -0.011 -1.766 1.00 0.00 O ATOM 851 CB ALA A 52 131.295 -2.515 -1.702 1.00 0.00 C ATOM 0 H ALA A 52 133.169 -1.308 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 52 130.506 -1.306 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.336 -2.993 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 52 131.897 -3.164 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 52 131.819 -2.341 -0.762 1.00 0.00 H new ATOM 857 N PHE A 53 130.848 0.306 -0.508 1.00 0.00 N ATOM 858 CA PHE A 53 130.112 1.236 0.390 1.00 0.00 C ATOM 859 C PHE A 53 129.518 2.387 -0.427 1.00 0.00 C ATOM 860 O PHE A 53 128.340 2.673 -0.350 1.00 0.00 O ATOM 861 CB PHE A 53 131.173 1.758 1.360 1.00 0.00 C ATOM 862 CG PHE A 53 130.656 2.993 2.048 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.464 2.939 2.778 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.364 4.193 1.948 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.980 4.089 3.410 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.881 5.345 2.579 1.00 0.00 C ATOM 867 CZ PHE A 53 129.687 5.293 3.310 1.00 0.00 C ATOM 0 H PHE A 53 131.825 0.147 -0.260 1.00 0.00 H new ATOM 0 HA PHE A 53 129.285 0.753 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.416 0.993 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 53 132.093 1.986 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.918 2.010 2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.284 4.232 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 53 128.061 4.048 3.975 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.428 6.273 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 53 129.312 6.182 3.796 1.00 0.00 H new ATOM 877 N SER A 54 130.327 3.049 -1.208 1.00 0.00 N ATOM 878 CA SER A 54 129.805 4.175 -2.032 1.00 0.00 C ATOM 879 C SER A 54 128.728 3.658 -2.985 1.00 0.00 C ATOM 880 O SER A 54 127.840 4.380 -3.390 1.00 0.00 O ATOM 881 CB SER A 54 131.013 4.690 -2.814 1.00 0.00 C ATOM 882 OG SER A 54 130.597 5.732 -3.688 1.00 0.00 O ATOM 0 H SER A 54 131.324 2.859 -1.311 1.00 0.00 H new ATOM 0 HA SER A 54 129.352 4.961 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.775 5.058 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 54 131.464 3.879 -3.385 1.00 0.00 H new ATOM 0 HG SER A 54 131.370 6.066 -4.190 1.00 0.00 H new ATOM 888 N GLU A 55 128.802 2.404 -3.340 1.00 0.00 N ATOM 889 CA GLU A 55 127.785 1.827 -4.262 1.00 0.00 C ATOM 890 C GLU A 55 126.525 1.452 -3.475 1.00 0.00 C ATOM 891 O GLU A 55 125.446 1.341 -4.024 1.00 0.00 O ATOM 892 CB GLU A 55 128.449 0.577 -4.846 1.00 0.00 C ATOM 893 CG GLU A 55 129.857 0.925 -5.346 1.00 0.00 C ATOM 894 CD GLU A 55 129.888 0.848 -6.873 1.00 0.00 C ATOM 895 OE1 GLU A 55 129.393 -0.130 -7.408 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.409 1.768 -7.482 1.00 0.00 O ATOM 0 H GLU A 55 129.524 1.754 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 55 127.480 2.525 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.505 -0.205 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 55 127.848 0.184 -5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.135 1.926 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.586 0.235 -4.921 1.00 0.00 H new ATOM 903 N ILE A 56 126.655 1.265 -2.189 1.00 0.00 N ATOM 904 CA ILE A 56 125.472 0.903 -1.357 1.00 0.00 C ATOM 905 C ILE A 56 124.677 2.164 -1.007 1.00 0.00 C ATOM 906 O ILE A 56 123.587 2.376 -1.501 1.00 0.00 O ATOM 907 CB ILE A 56 126.061 0.263 -0.096 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.535 -1.156 -0.422 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.994 0.201 1.002 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.794 -1.475 0.386 1.00 0.00 C ATOM 0 H ILE A 56 127.533 1.348 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 56 124.787 0.228 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 56 126.902 0.862 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.750 -1.875 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.743 -1.245 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.418 -0.255 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.653 1.210 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.150 -0.396 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.130 -2.485 0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.580 -0.764 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.571 -1.404 1.451 1.00 0.00 H new ATOM 922 N MET A 57 125.217 3.006 -0.168 1.00 0.00 N ATOM 923 CA MET A 57 124.491 4.257 0.198 1.00 0.00 C ATOM 924 C MET A 57 124.019 4.969 -1.069 1.00 0.00 C ATOM 925 O MET A 57 122.950 5.543 -1.108 1.00 0.00 O ATOM 926 CB MET A 57 125.522 5.107 0.944 1.00 0.00 C ATOM 927 CG MET A 57 125.796 4.491 2.316 1.00 0.00 C ATOM 928 SD MET A 57 124.382 4.790 3.406 1.00 0.00 S ATOM 929 CE MET A 57 124.510 6.595 3.454 1.00 0.00 C ATOM 0 H MET A 57 126.126 2.883 0.279 1.00 0.00 H new ATOM 0 HA MET A 57 123.607 4.067 0.807 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.446 5.165 0.369 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.154 6.126 1.059 1.00 0.00 H new ATOM 0 HG2 MET A 57 125.972 3.420 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.699 4.924 2.747 1.00 0.00 H new ATOM 0 HE1 MET A 57 124.008 6.972 4.345 1.00 0.00 H new ATOM 0 HE2 MET A 57 125.560 6.885 3.479 1.00 0.00 H new ATOM 0 HE3 MET A 57 124.038 7.017 2.567 1.00 0.00 H new ATOM 939 N SER A 58 124.807 4.929 -2.111 1.00 0.00 N ATOM 940 CA SER A 58 124.396 5.595 -3.377 1.00 0.00 C ATOM 941 C SER A 58 123.037 5.055 -3.826 1.00 0.00 C ATOM 942 O SER A 58 122.074 5.788 -3.938 1.00 0.00 O ATOM 943 CB SER A 58 125.481 5.231 -4.390 1.00 0.00 C ATOM 944 OG SER A 58 126.523 6.196 -4.329 1.00 0.00 O ATOM 0 H SER A 58 125.715 4.465 -2.138 1.00 0.00 H new ATOM 0 HA SER A 58 124.294 6.675 -3.267 1.00 0.00 H new ATOM 0 HB2 SER A 58 125.876 4.238 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.060 5.197 -5.395 1.00 0.00 H new ATOM 0 HG SER A 58 127.238 5.869 -3.744 1.00 0.00 H new ATOM 950 N MET A 59 122.948 3.777 -4.076 1.00 0.00 N ATOM 951 CA MET A 59 121.645 3.194 -4.506 1.00 0.00 C ATOM 952 C MET A 59 120.588 3.445 -3.429 1.00 0.00 C ATOM 953 O MET A 59 119.403 3.468 -3.698 1.00 0.00 O ATOM 954 CB MET A 59 121.911 1.696 -4.660 1.00 0.00 C ATOM 955 CG MET A 59 122.807 1.459 -5.877 1.00 0.00 C ATOM 956 SD MET A 59 121.960 0.367 -7.045 1.00 0.00 S ATOM 957 CE MET A 59 120.858 1.611 -7.761 1.00 0.00 C ATOM 0 H MET A 59 123.719 3.113 -4.001 1.00 0.00 H new ATOM 0 HA MET A 59 121.274 3.635 -5.432 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.390 1.307 -3.761 1.00 0.00 H new ATOM 0 HB3 MET A 59 120.970 1.159 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 59 123.045 2.408 -6.357 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.752 1.013 -5.565 1.00 0.00 H new ATOM 0 HE1 MET A 59 120.231 1.147 -8.522 1.00 0.00 H new ATOM 0 HE2 MET A 59 120.227 2.032 -6.978 1.00 0.00 H new ATOM 0 HE3 MET A 59 121.451 2.405 -8.215 1.00 0.00 H new ATOM 967 N ILE A 60 121.013 3.640 -2.211 1.00 0.00 N ATOM 968 CA ILE A 60 120.043 3.896 -1.108 1.00 0.00 C ATOM 969 C ILE A 60 119.442 5.301 -1.267 1.00 0.00 C ATOM 970 O ILE A 60 118.296 5.536 -0.942 1.00 0.00 O ATOM 971 CB ILE A 60 120.882 3.763 0.176 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.656 2.373 0.782 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.485 4.827 1.206 1.00 0.00 C ATOM 974 CD1 ILE A 60 121.999 1.657 0.943 1.00 0.00 C ATOM 0 H ILE A 60 121.994 3.633 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 60 119.199 3.207 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 60 121.932 3.902 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.163 2.463 1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 60 119.996 1.789 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.093 4.710 2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.647 5.819 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.432 4.709 1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.835 0.669 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.475 1.553 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.644 2.238 1.602 1.00 0.00 H new ATOM 986 N TRP A 61 120.207 6.232 -1.772 1.00 0.00 N ATOM 987 CA TRP A 61 119.677 7.613 -1.957 1.00 0.00 C ATOM 988 C TRP A 61 118.787 7.670 -3.202 1.00 0.00 C ATOM 989 O TRP A 61 117.841 8.431 -3.267 1.00 0.00 O ATOM 990 CB TRP A 61 120.914 8.494 -2.143 1.00 0.00 C ATOM 991 CG TRP A 61 121.696 8.535 -0.869 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.012 8.246 -0.757 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.238 8.882 0.470 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.391 8.391 0.565 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.334 8.782 1.361 1.00 0.00 C ATOM 996 CE3 TRP A 61 119.991 9.269 0.995 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.198 9.057 2.722 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.851 9.546 2.365 1.00 0.00 C ATOM 999 CH2 TRP A 61 120.952 9.440 3.226 1.00 0.00 C ATOM 0 H TRP A 61 121.175 6.095 -2.064 1.00 0.00 H new ATOM 0 HA TRP A 61 119.070 7.939 -1.113 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.534 8.103 -2.950 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.615 9.502 -2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.661 7.950 -1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.337 8.229 0.910 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.136 9.354 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.049 8.975 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 118.889 9.842 2.757 1.00 0.00 H new ATOM 0 HH2 TRP A 61 120.838 9.654 4.278 1.00 0.00 H new ATOM 1010 N LYS A 62 119.082 6.870 -4.190 1.00 0.00 N ATOM 1011 CA LYS A 62 118.252 6.877 -5.430 1.00 0.00 C ATOM 1012 C LYS A 62 116.840 6.373 -5.121 1.00 0.00 C ATOM 1013 O LYS A 62 115.863 7.057 -5.351 1.00 0.00 O ATOM 1014 CB LYS A 62 118.964 5.923 -6.389 1.00 0.00 C ATOM 1015 CG LYS A 62 119.508 6.712 -7.582 1.00 0.00 C ATOM 1016 CD LYS A 62 121.035 6.611 -7.608 1.00 0.00 C ATOM 1017 CE LYS A 62 121.601 7.638 -8.592 1.00 0.00 C ATOM 1018 NZ LYS A 62 121.352 8.961 -7.954 1.00 0.00 N ATOM 0 H LYS A 62 119.861 6.212 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 62 118.148 7.876 -5.853 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.779 5.414 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.273 5.153 -6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.091 6.321 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 62 119.203 7.756 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.438 6.787 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 62 121.338 5.606 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.665 7.476 -8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.108 7.569 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 122.111 9.622 -8.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 120.438 9.337 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.333 8.850 -6.920 1.00 0.00 H new ATOM 1032 N ARG A 63 116.724 5.183 -4.598 1.00 0.00 N ATOM 1033 CA ARG A 63 115.374 4.642 -4.272 1.00 0.00 C ATOM 1034 C ARG A 63 114.743 5.461 -3.144 1.00 0.00 C ATOM 1035 O ARG A 63 113.578 5.317 -2.833 1.00 0.00 O ATOM 1036 CB ARG A 63 115.623 3.203 -3.817 1.00 0.00 C ATOM 1037 CG ARG A 63 116.179 2.386 -4.985 1.00 0.00 C ATOM 1038 CD ARG A 63 115.032 1.963 -5.907 1.00 0.00 C ATOM 1039 NE ARG A 63 115.652 1.839 -7.256 1.00 0.00 N ATOM 1040 CZ ARG A 63 114.967 1.335 -8.247 1.00 0.00 C ATOM 1041 NH1 ARG A 63 114.178 0.316 -8.043 1.00 0.00 N ATOM 1042 NH2 ARG A 63 115.073 1.852 -9.441 1.00 0.00 N ATOM 0 H ARG A 63 117.505 4.563 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 63 114.691 4.686 -5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.326 3.190 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.695 2.758 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 63 116.907 2.976 -5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.702 1.506 -4.610 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.594 1.018 -5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.231 2.702 -5.906 1.00 0.00 H new ATOM 0 HE ARG A 63 116.612 2.148 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 63 114.096 -0.087 -7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 63 113.643 -0.078 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 63 115.690 2.649 -9.599 1.00 0.00 H new ATOM 0 HH22 ARG A 63 114.539 1.459 -10.216 1.00 0.00 H new ATOM 1056 N LEU A 64 115.509 6.322 -2.529 1.00 0.00 N ATOM 1057 CA LEU A 64 114.961 7.155 -1.419 1.00 0.00 C ATOM 1058 C LEU A 64 114.275 8.401 -1.979 1.00 0.00 C ATOM 1059 O LEU A 64 113.500 9.052 -1.306 1.00 0.00 O ATOM 1060 CB LEU A 64 116.178 7.558 -0.591 1.00 0.00 C ATOM 1061 CG LEU A 64 116.268 6.667 0.647 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.465 7.091 1.501 1.00 0.00 C ATOM 1063 CD2 LEU A 64 114.980 6.804 1.461 1.00 0.00 C ATOM 0 H LEU A 64 116.492 6.485 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 64 114.219 6.615 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.085 7.463 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.100 8.604 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 64 116.398 5.629 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.527 6.454 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.381 6.993 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.341 8.129 1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.039 6.170 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 64 114.852 7.842 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.130 6.497 0.851 1.00 0.00 H new ATOM 1075 N ASN A 65 114.557 8.742 -3.204 1.00 0.00 N ATOM 1076 CA ASN A 65 113.928 9.945 -3.803 1.00 0.00 C ATOM 1077 C ASN A 65 112.937 9.528 -4.888 1.00 0.00 C ATOM 1078 O ASN A 65 112.887 10.110 -5.953 1.00 0.00 O ATOM 1079 CB ASN A 65 115.084 10.741 -4.409 1.00 0.00 C ATOM 1080 CG ASN A 65 115.689 11.658 -3.343 1.00 0.00 C ATOM 1081 OD1 ASN A 65 114.996 12.463 -2.754 1.00 0.00 O ATOM 1082 ND2 ASN A 65 116.962 11.569 -3.070 1.00 0.00 N ATOM 0 H ASN A 65 115.198 8.237 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 65 113.374 10.532 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.845 10.062 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.729 11.332 -5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 65 117.375 12.176 -2.362 1.00 0.00 H new ATOM 0 HD22 ASN A 65 117.544 10.893 -3.565 1.00 0.00 H new ATOM 1161 N TRP A 71 106.531 5.527 -3.484 1.00 0.00 N ATOM 1162 CA TRP A 71 107.209 5.745 -2.174 1.00 0.00 C ATOM 1163 C TRP A 71 107.608 4.402 -1.557 1.00 0.00 C ATOM 1164 O TRP A 71 108.441 4.336 -0.675 1.00 0.00 O ATOM 1165 CB TRP A 71 106.170 6.448 -1.301 1.00 0.00 C ATOM 1166 CG TRP A 71 104.947 5.593 -1.195 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.865 5.682 -2.002 1.00 0.00 C ATOM 1168 CD2 TRP A 71 104.663 4.526 -0.245 1.00 0.00 C ATOM 1169 NE1 TRP A 71 102.935 4.737 -1.607 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.381 3.999 -0.528 1.00 0.00 C ATOM 1171 CE3 TRP A 71 105.387 3.969 0.824 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 102.835 2.957 0.222 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 104.841 2.919 1.581 1.00 0.00 C ATOM 1174 CH2 TRP A 71 103.567 2.415 1.282 1.00 0.00 C ATOM 0 HA TRP A 71 108.121 6.333 -2.274 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.581 6.638 -0.309 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.914 7.416 -1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.747 6.377 -2.820 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.030 4.602 -2.058 1.00 0.00 H new ATOM 0 HE3 TRP A 71 106.368 4.351 1.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 101.854 2.572 -0.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 105.406 2.497 2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 71 103.152 1.609 1.870 1.00 0.00 H new ATOM 1185 N ARG A 72 107.019 3.330 -2.013 1.00 0.00 N ATOM 1186 CA ARG A 72 107.366 1.993 -1.452 1.00 0.00 C ATOM 1187 C ARG A 72 108.880 1.777 -1.497 1.00 0.00 C ATOM 1188 O ARG A 72 109.473 1.269 -0.565 1.00 0.00 O ATOM 1189 CB ARG A 72 106.652 0.987 -2.355 1.00 0.00 C ATOM 1190 CG ARG A 72 105.166 0.941 -1.993 1.00 0.00 C ATOM 1191 CD ARG A 72 104.569 -0.389 -2.458 1.00 0.00 C ATOM 1192 NE ARG A 72 104.433 -1.205 -1.218 1.00 0.00 N ATOM 1193 CZ ARG A 72 104.158 -2.478 -1.302 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.078 -2.873 -1.919 1.00 0.00 N ATOM 1195 NH2 ARG A 72 104.962 -3.356 -0.768 1.00 0.00 N ATOM 0 H ARG A 72 106.313 3.322 -2.749 1.00 0.00 H new ATOM 0 HA ARG A 72 107.063 1.891 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 72 106.774 1.270 -3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.096 -0.002 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.039 1.052 -0.916 1.00 0.00 H new ATOM 0 HG3 ARG A 72 104.640 1.772 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 72 103.603 -0.241 -2.941 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.217 -0.880 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 72 104.555 -0.769 -0.304 1.00 0.00 H new ATOM 0 HH11 ARG A 72 102.449 -2.187 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 72 102.863 -3.868 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 72 105.806 -3.047 -0.285 1.00 0.00 H new ATOM 0 HH22 ARG A 72 104.747 -4.351 -0.834 1.00 0.00 H new ATOM 1209 N HIS A 73 109.512 2.158 -2.573 1.00 0.00 N ATOM 1210 CA HIS A 73 110.988 1.974 -2.674 1.00 0.00 C ATOM 1211 C HIS A 73 111.692 2.754 -1.562 1.00 0.00 C ATOM 1212 O HIS A 73 112.627 2.278 -0.951 1.00 0.00 O ATOM 1213 CB HIS A 73 111.366 2.535 -4.046 1.00 0.00 C ATOM 1214 CG HIS A 73 111.195 1.466 -5.090 1.00 0.00 C ATOM 1215 ND1 HIS A 73 111.844 1.518 -6.314 1.00 0.00 N ATOM 1216 CD2 HIS A 73 110.452 0.313 -5.108 1.00 0.00 C ATOM 1217 CE1 HIS A 73 111.481 0.427 -7.011 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.634 -0.343 -6.322 1.00 0.00 N ATOM 0 H HIS A 73 109.071 2.588 -3.386 1.00 0.00 H new ATOM 0 HA HIS A 73 111.283 0.930 -2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 73 110.739 3.394 -4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 73 112.398 2.886 -4.035 1.00 0.00 H new ATOM 0 HD2 HIS A 73 109.821 -0.033 -4.302 1.00 0.00 H new ATOM 0 HE1 HIS A 73 111.832 0.201 -8.007 1.00 0.00 H new ATOM 0 HE2 HIS A 73 110.212 -1.222 -6.621 1.00 0.00 H new ATOM 1226 N VAL A 74 111.245 3.951 -1.293 1.00 0.00 N ATOM 1227 CA VAL A 74 111.884 4.762 -0.217 1.00 0.00 C ATOM 1228 C VAL A 74 111.868 3.987 1.103 1.00 0.00 C ATOM 1229 O VAL A 74 112.878 3.847 1.765 1.00 0.00 O ATOM 1230 CB VAL A 74 111.025 6.022 -0.110 1.00 0.00 C ATOM 1231 CG1 VAL A 74 111.335 6.734 1.209 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.335 6.959 -1.283 1.00 0.00 C ATOM 0 H VAL A 74 110.465 4.402 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 74 112.926 4.997 -0.436 1.00 0.00 H new ATOM 0 HB VAL A 74 109.971 5.747 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.724 7.633 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 74 111.112 6.068 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 74 112.390 7.008 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.721 7.856 -1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.389 7.237 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.116 6.451 -2.222 1.00 0.00 H new ATOM 1242 N TYR A 75 110.728 3.483 1.493 1.00 0.00 N ATOM 1243 CA TYR A 75 110.647 2.721 2.772 1.00 0.00 C ATOM 1244 C TYR A 75 111.755 1.667 2.831 1.00 0.00 C ATOM 1245 O TYR A 75 112.556 1.644 3.744 1.00 0.00 O ATOM 1246 CB TYR A 75 109.272 2.053 2.752 1.00 0.00 C ATOM 1247 CG TYR A 75 108.917 1.588 4.144 1.00 0.00 C ATOM 1248 CD1 TYR A 75 109.095 2.448 5.236 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.411 0.299 4.345 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.765 2.017 6.527 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.083 -0.132 5.637 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.260 0.727 6.727 1.00 0.00 C ATOM 1253 OH TYR A 75 107.935 0.304 8.000 1.00 0.00 O ATOM 0 H TYR A 75 109.850 3.566 0.981 1.00 0.00 H new ATOM 0 HA TYR A 75 110.774 3.364 3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.521 2.754 2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.277 1.207 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.486 3.443 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.273 -0.364 3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.900 2.680 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 75 107.693 -1.127 5.792 1.00 0.00 H new ATOM 0 HH TYR A 75 107.598 -0.615 7.963 1.00 0.00 H new ATOM 1263 N LYS A 76 111.809 0.794 1.862 1.00 0.00 N ATOM 1264 CA LYS A 76 112.868 -0.256 1.866 1.00 0.00 C ATOM 1265 C LYS A 76 114.252 0.398 1.864 1.00 0.00 C ATOM 1266 O LYS A 76 115.219 -0.167 2.338 1.00 0.00 O ATOM 1267 CB LYS A 76 112.649 -1.046 0.576 1.00 0.00 C ATOM 1268 CG LYS A 76 112.374 -2.514 0.914 1.00 0.00 C ATOM 1269 CD LYS A 76 110.913 -2.677 1.338 1.00 0.00 C ATOM 1270 CE LYS A 76 110.812 -3.755 2.421 1.00 0.00 C ATOM 1271 NZ LYS A 76 111.470 -3.160 3.618 1.00 0.00 N ATOM 0 H LYS A 76 111.168 0.762 1.070 1.00 0.00 H new ATOM 0 HA LYS A 76 112.815 -0.895 2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 76 111.811 -0.627 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.528 -0.968 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.585 -3.143 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 76 113.035 -2.843 1.716 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.525 -1.731 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.302 -2.952 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 76 109.773 -4.011 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 76 111.311 -4.673 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 111.047 -3.558 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 112.487 -3.378 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 111.337 -2.129 3.611 1.00 0.00 H new ATOM 1285 N ALA A 77 114.354 1.587 1.335 1.00 0.00 N ATOM 1286 CA ALA A 77 115.673 2.280 1.301 1.00 0.00 C ATOM 1287 C ALA A 77 116.085 2.701 2.714 1.00 0.00 C ATOM 1288 O ALA A 77 117.254 2.798 3.028 1.00 0.00 O ATOM 1289 CB ALA A 77 115.451 3.508 0.419 1.00 0.00 C ATOM 0 H ALA A 77 113.580 2.109 0.924 1.00 0.00 H new ATOM 0 HA ALA A 77 116.467 1.640 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.379 4.074 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.138 3.190 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.677 4.137 0.859 1.00 0.00 H new ATOM 1295 N MET A 78 115.130 2.952 3.565 1.00 0.00 N ATOM 1296 CA MET A 78 115.462 3.368 4.958 1.00 0.00 C ATOM 1297 C MET A 78 115.912 2.157 5.779 1.00 0.00 C ATOM 1298 O MET A 78 116.731 2.268 6.670 1.00 0.00 O ATOM 1299 CB MET A 78 114.161 3.942 5.520 1.00 0.00 C ATOM 1300 CG MET A 78 114.185 5.468 5.405 1.00 0.00 C ATOM 1301 SD MET A 78 113.371 5.969 3.868 1.00 0.00 S ATOM 1302 CE MET A 78 111.668 5.872 4.472 1.00 0.00 C ATOM 0 H MET A 78 114.133 2.887 3.357 1.00 0.00 H new ATOM 0 HA MET A 78 116.275 4.093 4.990 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.308 3.539 4.975 1.00 0.00 H new ATOM 0 HB3 MET A 78 114.041 3.647 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.679 5.916 6.260 1.00 0.00 H new ATOM 0 HG3 MET A 78 115.214 5.828 5.419 1.00 0.00 H new ATOM 0 HE1 MET A 78 111.034 5.429 3.704 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.635 5.255 5.370 1.00 0.00 H new ATOM 0 HE3 MET A 78 111.308 6.874 4.707 1.00 0.00 H new ATOM 1312 N THR A 79 115.382 0.999 5.491 1.00 0.00 N ATOM 1313 CA THR A 79 115.782 -0.214 6.261 1.00 0.00 C ATOM 1314 C THR A 79 117.244 -0.558 5.978 1.00 0.00 C ATOM 1315 O THR A 79 117.987 -0.927 6.866 1.00 0.00 O ATOM 1316 CB THR A 79 114.859 -1.327 5.762 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.521 -0.849 5.728 1.00 0.00 O ATOM 1318 CG2 THR A 79 114.951 -2.528 6.705 1.00 0.00 C ATOM 0 H THR A 79 114.691 0.840 4.758 1.00 0.00 H new ATOM 0 HA THR A 79 115.693 -0.068 7.338 1.00 0.00 H new ATOM 0 HB THR A 79 115.162 -1.631 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.928 -1.560 5.407 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.293 -3.321 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 79 115.978 -2.893 6.731 1.00 0.00 H new ATOM 0 HG23 THR A 79 114.647 -2.227 7.708 1.00 0.00 H new ATOM 1326 N LEU A 80 117.664 -0.433 4.752 1.00 0.00 N ATOM 1327 CA LEU A 80 119.082 -0.746 4.418 1.00 0.00 C ATOM 1328 C LEU A 80 120.011 0.243 5.125 1.00 0.00 C ATOM 1329 O LEU A 80 120.913 -0.142 5.840 1.00 0.00 O ATOM 1330 CB LEU A 80 119.181 -0.589 2.902 1.00 0.00 C ATOM 1331 CG LEU A 80 120.546 -1.088 2.431 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.828 -2.462 3.045 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.551 -1.198 0.906 1.00 0.00 C ATOM 0 H LEU A 80 117.089 -0.128 3.967 1.00 0.00 H new ATOM 0 HA LEU A 80 119.374 -1.746 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.386 -1.153 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 80 119.047 0.456 2.624 1.00 0.00 H new ATOM 0 HG LEU A 80 121.318 -0.386 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.802 -2.818 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.826 -2.382 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 80 120.057 -3.166 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.525 -1.554 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.779 -1.900 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.352 -0.219 0.470 1.00 0.00 H new ATOM 1345 N MET A 81 119.791 1.514 4.937 1.00 0.00 N ATOM 1346 CA MET A 81 120.659 2.521 5.609 1.00 0.00 C ATOM 1347 C MET A 81 120.586 2.341 7.127 1.00 0.00 C ATOM 1348 O MET A 81 121.495 2.700 7.849 1.00 0.00 O ATOM 1349 CB MET A 81 120.085 3.878 5.200 1.00 0.00 C ATOM 1350 CG MET A 81 120.838 4.992 5.928 1.00 0.00 C ATOM 1351 SD MET A 81 121.331 6.265 4.740 1.00 0.00 S ATOM 1352 CE MET A 81 120.748 7.694 5.686 1.00 0.00 C ATOM 0 H MET A 81 119.051 1.898 4.350 1.00 0.00 H new ATOM 0 HA MET A 81 121.707 2.423 5.324 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.171 4.011 4.122 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.023 3.924 5.443 1.00 0.00 H new ATOM 0 HG2 MET A 81 120.206 5.427 6.702 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.718 4.585 6.427 1.00 0.00 H new ATOM 0 HE1 MET A 81 121.501 8.482 5.656 1.00 0.00 H new ATOM 0 HE2 MET A 81 119.819 8.063 5.252 1.00 0.00 H new ATOM 0 HE3 MET A 81 120.573 7.399 6.720 1.00 0.00 H new ATOM 1362 N GLU A 82 119.510 1.788 7.617 1.00 0.00 N ATOM 1363 CA GLU A 82 119.380 1.585 9.088 1.00 0.00 C ATOM 1364 C GLU A 82 120.188 0.363 9.531 1.00 0.00 C ATOM 1365 O GLU A 82 120.732 0.326 10.617 1.00 0.00 O ATOM 1366 CB GLU A 82 117.888 1.348 9.321 1.00 0.00 C ATOM 1367 CG GLU A 82 117.551 1.619 10.789 1.00 0.00 C ATOM 1368 CD GLU A 82 116.779 0.430 11.364 1.00 0.00 C ATOM 1369 OE1 GLU A 82 115.857 -0.026 10.709 1.00 0.00 O ATOM 1370 OE2 GLU A 82 117.124 -0.004 12.451 1.00 0.00 O ATOM 0 H GLU A 82 118.716 1.468 7.063 1.00 0.00 H new ATOM 0 HA GLU A 82 119.756 2.436 9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.300 2.001 8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.627 0.322 9.060 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.466 1.782 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 82 116.956 2.528 10.875 1.00 0.00 H new ATOM 1377 N TYR A 83 120.264 -0.641 8.701 1.00 0.00 N ATOM 1378 CA TYR A 83 121.027 -1.864 9.074 1.00 0.00 C ATOM 1379 C TYR A 83 122.512 -1.701 8.734 1.00 0.00 C ATOM 1380 O TYR A 83 123.350 -2.438 9.212 1.00 0.00 O ATOM 1381 CB TYR A 83 120.408 -2.981 8.235 1.00 0.00 C ATOM 1382 CG TYR A 83 121.206 -4.245 8.426 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.384 -4.443 7.700 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.769 -5.217 9.333 1.00 0.00 C ATOM 1385 CE1 TYR A 83 123.128 -5.615 7.878 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.512 -6.389 9.513 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.692 -6.589 8.786 1.00 0.00 C ATOM 1388 OH TYR A 83 123.426 -7.744 8.964 1.00 0.00 O ATOM 0 H TYR A 83 119.829 -0.666 7.779 1.00 0.00 H new ATOM 0 HA TYR A 83 120.973 -2.070 10.143 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.372 -3.143 8.531 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.398 -2.699 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.720 -3.691 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.859 -5.063 9.894 1.00 0.00 H new ATOM 0 HE1 TYR A 83 124.037 -5.769 7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 83 121.175 -7.140 10.213 1.00 0.00 H new ATOM 0 HH TYR A 83 123.575 -7.893 9.921 1.00 0.00 H new ATOM 1398 N LEU A 84 122.844 -0.746 7.910 1.00 0.00 N ATOM 1399 CA LEU A 84 124.275 -0.549 7.543 1.00 0.00 C ATOM 1400 C LEU A 84 124.927 0.469 8.482 1.00 0.00 C ATOM 1401 O LEU A 84 126.063 0.316 8.885 1.00 0.00 O ATOM 1402 CB LEU A 84 124.245 -0.030 6.102 1.00 0.00 C ATOM 1403 CG LEU A 84 123.578 -1.076 5.204 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.381 -0.505 3.797 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.464 -2.322 5.130 1.00 0.00 C ATOM 0 H LEU A 84 122.189 -0.095 7.476 1.00 0.00 H new ATOM 0 HA LEU A 84 124.858 -1.466 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.697 0.911 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.258 0.172 5.754 1.00 0.00 H new ATOM 0 HG LEU A 84 122.607 -1.341 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.906 -1.254 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.747 0.380 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.349 -0.234 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.991 -3.068 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.436 -2.053 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.597 -2.734 6.130 1.00 0.00 H new ATOM 1417 N ILE A 85 124.217 1.504 8.842 1.00 0.00 N ATOM 1418 CA ILE A 85 124.800 2.523 9.763 1.00 0.00 C ATOM 1419 C ILE A 85 125.250 1.850 11.064 1.00 0.00 C ATOM 1420 O ILE A 85 126.022 2.399 11.824 1.00 0.00 O ATOM 1421 CB ILE A 85 123.661 3.513 10.027 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.452 4.383 8.785 1.00 0.00 C ATOM 1423 CG2 ILE A 85 124.010 4.410 11.217 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.225 5.274 8.986 1.00 0.00 C ATOM 0 H ILE A 85 123.261 1.688 8.539 1.00 0.00 H new ATOM 0 HA ILE A 85 125.675 3.018 9.342 1.00 0.00 H new ATOM 0 HB ILE A 85 122.750 2.958 10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.335 4.997 8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.317 3.753 7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.194 5.110 11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 85 124.162 3.795 12.104 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.923 4.965 10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.076 5.893 8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.345 4.651 9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.378 5.914 9.855 1.00 0.00 H new ATOM 1436 N LYS A 86 124.774 0.662 11.322 1.00 0.00 N ATOM 1437 CA LYS A 86 125.174 -0.048 12.572 1.00 0.00 C ATOM 1438 C LYS A 86 126.272 -1.072 12.270 1.00 0.00 C ATOM 1439 O LYS A 86 127.441 -0.824 12.488 1.00 0.00 O ATOM 1440 CB LYS A 86 123.904 -0.749 13.053 1.00 0.00 C ATOM 1441 CG LYS A 86 123.344 -0.011 14.270 1.00 0.00 C ATOM 1442 CD LYS A 86 123.128 -1.004 15.413 1.00 0.00 C ATOM 1443 CE LYS A 86 121.693 -0.884 15.932 1.00 0.00 C ATOM 1444 NZ LYS A 86 121.549 -1.989 16.919 1.00 0.00 N ATOM 0 H LYS A 86 124.126 0.152 10.722 1.00 0.00 H new ATOM 0 HA LYS A 86 125.573 0.632 13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.163 -0.770 12.254 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.123 -1.785 13.312 1.00 0.00 H new ATOM 0 HG2 LYS A 86 124.033 0.774 14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.403 0.475 14.013 1.00 0.00 H new ATOM 0 HD2 LYS A 86 123.316 -2.020 15.066 1.00 0.00 H new ATOM 0 HD3 LYS A 86 123.835 -0.806 16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.521 0.086 16.398 1.00 0.00 H new ATOM 0 HE3 LYS A 86 120.970 -0.981 15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 120.590 -1.973 17.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 121.712 -2.901 16.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.245 -1.866 17.682 1.00 0.00 H new ATOM 1458 N THR A 87 125.906 -2.222 11.770 1.00 0.00 N ATOM 1459 CA THR A 87 126.932 -3.256 11.456 1.00 0.00 C ATOM 1460 C THR A 87 127.644 -2.911 10.147 1.00 0.00 C ATOM 1461 O THR A 87 128.722 -3.399 9.867 1.00 0.00 O ATOM 1462 CB THR A 87 126.154 -4.566 11.316 1.00 0.00 C ATOM 1463 OG1 THR A 87 127.069 -5.648 11.206 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.272 -4.514 10.068 1.00 0.00 C ATOM 0 H THR A 87 124.943 -2.489 11.566 1.00 0.00 H new ATOM 0 HA THR A 87 127.699 -3.322 12.228 1.00 0.00 H new ATOM 0 HB THR A 87 125.524 -4.707 12.194 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.573 -6.488 11.118 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.720 -5.449 9.973 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.569 -3.685 10.153 1.00 0.00 H new ATOM 0 HG23 THR A 87 125.897 -4.370 9.187 1.00 0.00 H new ATOM 1472 N GLY A 88 127.055 -2.070 9.343 1.00 0.00 N ATOM 1473 CA GLY A 88 127.705 -1.694 8.055 1.00 0.00 C ATOM 1474 C GLY A 88 129.102 -1.141 8.339 1.00 0.00 C ATOM 1475 O GLY A 88 130.098 -1.796 8.109 1.00 0.00 O ATOM 0 H GLY A 88 126.154 -1.627 9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.771 -2.563 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.104 -0.948 7.535 1.00 0.00 H new ATOM 1479 N SER A 89 129.182 0.061 8.843 1.00 0.00 N ATOM 1480 CA SER A 89 130.517 0.654 9.147 1.00 0.00 C ATOM 1481 C SER A 89 130.363 2.108 9.596 1.00 0.00 C ATOM 1482 O SER A 89 129.427 2.788 9.224 1.00 0.00 O ATOM 1483 CB SER A 89 131.294 0.582 7.833 1.00 0.00 C ATOM 1484 OG SER A 89 132.546 -0.050 8.063 1.00 0.00 O ATOM 0 H SER A 89 128.383 0.657 9.057 1.00 0.00 H new ATOM 0 HA SER A 89 131.026 0.125 9.952 1.00 0.00 H new ATOM 0 HB2 SER A 89 130.723 0.025 7.090 1.00 0.00 H new ATOM 0 HB3 SER A 89 131.447 1.584 7.432 1.00 0.00 H new ATOM 0 HG SER A 89 132.416 -1.019 8.129 1.00 0.00 H new ATOM 1490 N GLU A 90 131.277 2.590 10.393 1.00 0.00 N ATOM 1491 CA GLU A 90 131.185 4.001 10.865 1.00 0.00 C ATOM 1492 C GLU A 90 131.008 4.944 9.673 1.00 0.00 C ATOM 1493 O GLU A 90 130.482 6.032 9.803 1.00 0.00 O ATOM 1494 CB GLU A 90 132.514 4.272 11.571 1.00 0.00 C ATOM 1495 CG GLU A 90 132.371 3.965 13.063 1.00 0.00 C ATOM 1496 CD GLU A 90 132.975 5.110 13.879 1.00 0.00 C ATOM 1497 OE1 GLU A 90 133.680 5.918 13.298 1.00 0.00 O ATOM 1498 OE2 GLU A 90 132.720 5.159 15.071 1.00 0.00 O ATOM 0 H GLU A 90 132.083 2.068 10.738 1.00 0.00 H new ATOM 0 HA GLU A 90 130.334 4.161 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.301 3.656 11.136 1.00 0.00 H new ATOM 0 HB3 GLU A 90 132.808 5.312 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.319 3.836 13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 90 132.874 3.028 13.302 1.00 0.00 H new ATOM 1505 N ARG A 91 131.438 4.534 8.513 1.00 0.00 N ATOM 1506 CA ARG A 91 131.289 5.409 7.316 1.00 0.00 C ATOM 1507 C ARG A 91 129.814 5.499 6.923 1.00 0.00 C ATOM 1508 O ARG A 91 129.300 6.560 6.640 1.00 0.00 O ATOM 1509 CB ARG A 91 132.102 4.724 6.217 1.00 0.00 C ATOM 1510 CG ARG A 91 133.553 4.569 6.677 1.00 0.00 C ATOM 1511 CD ARG A 91 134.284 3.603 5.743 1.00 0.00 C ATOM 1512 NE ARG A 91 135.716 4.004 5.820 1.00 0.00 N ATOM 1513 CZ ARG A 91 136.654 3.111 5.660 1.00 0.00 C ATOM 1514 NH1 ARG A 91 136.521 2.182 4.752 1.00 0.00 N ATOM 1515 NH2 ARG A 91 137.723 3.147 6.405 1.00 0.00 N ATOM 0 H ARG A 91 131.885 3.633 8.341 1.00 0.00 H new ATOM 0 HA ARG A 91 131.636 6.427 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.675 3.747 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.061 5.311 5.300 1.00 0.00 H new ATOM 0 HG2 ARG A 91 134.051 5.539 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.583 4.195 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.146 2.569 6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 91 133.907 3.679 4.723 1.00 0.00 H new ATOM 0 HE ARG A 91 135.964 4.977 5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 91 135.685 2.155 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A 91 137.253 1.483 4.626 1.00 0.00 H new ATOM 0 HH21 ARG A 91 137.827 3.873 7.113 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.456 2.449 6.280 1.00 0.00 H new ATOM 1529 N VAL A 92 129.120 4.398 6.917 1.00 0.00 N ATOM 1530 CA VAL A 92 127.677 4.449 6.557 1.00 0.00 C ATOM 1531 C VAL A 92 126.954 5.378 7.531 1.00 0.00 C ATOM 1532 O VAL A 92 125.898 5.906 7.241 1.00 0.00 O ATOM 1533 CB VAL A 92 127.176 3.014 6.703 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.647 3.003 6.690 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.699 2.166 5.539 1.00 0.00 C ATOM 0 H VAL A 92 129.484 3.473 7.143 1.00 0.00 H new ATOM 0 HA VAL A 92 127.503 4.827 5.550 1.00 0.00 H new ATOM 0 HB VAL A 92 127.536 2.601 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.290 1.979 6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.272 3.604 7.518 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.288 3.418 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.340 1.142 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.340 2.581 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.789 2.171 5.546 1.00 0.00 H new ATOM 1545 N SER A 93 127.526 5.583 8.685 1.00 0.00 N ATOM 1546 CA SER A 93 126.889 6.481 9.690 1.00 0.00 C ATOM 1547 C SER A 93 127.465 7.898 9.585 1.00 0.00 C ATOM 1548 O SER A 93 126.870 8.851 10.045 1.00 0.00 O ATOM 1549 CB SER A 93 127.233 5.865 11.045 1.00 0.00 C ATOM 1550 OG SER A 93 127.227 6.884 12.037 1.00 0.00 O ATOM 0 H SER A 93 128.410 5.166 8.977 1.00 0.00 H new ATOM 0 HA SER A 93 125.813 6.566 9.539 1.00 0.00 H new ATOM 0 HB2 SER A 93 126.511 5.089 11.299 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.212 5.388 11.003 1.00 0.00 H new ATOM 0 HG SER A 93 127.446 6.493 12.909 1.00 0.00 H new ATOM 1556 N GLN A 94 128.616 8.051 8.982 1.00 0.00 N ATOM 1557 CA GLN A 94 129.206 9.411 8.856 1.00 0.00 C ATOM 1558 C GLN A 94 128.527 10.145 7.704 1.00 0.00 C ATOM 1559 O GLN A 94 128.095 11.274 7.830 1.00 0.00 O ATOM 1560 CB GLN A 94 130.698 9.158 8.589 1.00 0.00 C ATOM 1561 CG GLN A 94 130.989 9.088 7.089 1.00 0.00 C ATOM 1562 CD GLN A 94 132.502 9.072 6.864 1.00 0.00 C ATOM 1563 OE1 GLN A 94 133.249 9.641 7.635 1.00 0.00 O ATOM 1564 NE2 GLN A 94 132.988 8.440 5.830 1.00 0.00 N ATOM 0 H GLN A 94 129.168 7.296 8.575 1.00 0.00 H new ATOM 0 HA GLN A 94 129.071 10.036 9.739 1.00 0.00 H new ATOM 0 HB2 GLN A 94 131.291 9.954 9.040 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.002 8.226 9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.537 8.193 6.661 1.00 0.00 H new ATOM 0 HG3 GLN A 94 130.544 9.943 6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 94 132.361 7.962 5.183 1.00 0.00 H new ATOM 0 HE22 GLN A 94 133.995 8.424 5.669 1.00 0.00 H new ATOM 1573 N GLN A 95 128.422 9.493 6.589 1.00 0.00 N ATOM 1574 CA GLN A 95 127.757 10.120 5.415 1.00 0.00 C ATOM 1575 C GLN A 95 126.291 10.396 5.750 1.00 0.00 C ATOM 1576 O GLN A 95 125.728 11.394 5.345 1.00 0.00 O ATOM 1577 CB GLN A 95 127.867 9.086 4.294 1.00 0.00 C ATOM 1578 CG GLN A 95 127.044 9.550 3.089 1.00 0.00 C ATOM 1579 CD GLN A 95 127.702 9.053 1.800 1.00 0.00 C ATOM 1580 OE1 GLN A 95 128.366 9.805 1.115 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.544 7.809 1.440 1.00 0.00 N ATOM 0 H GLN A 95 128.769 8.546 6.435 1.00 0.00 H new ATOM 0 HA GLN A 95 128.212 11.069 5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.910 8.955 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.508 8.117 4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.026 9.167 3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 95 126.976 10.638 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 95 126.986 7.178 2.016 1.00 0.00 H new ATOM 0 HE22 GLN A 95 127.978 7.467 0.583 1.00 0.00 H new ATOM 1590 N CYS A 96 125.671 9.522 6.498 1.00 0.00 N ATOM 1591 CA CYS A 96 124.246 9.743 6.869 1.00 0.00 C ATOM 1592 C CYS A 96 124.120 11.056 7.640 1.00 0.00 C ATOM 1593 O CYS A 96 123.158 11.785 7.495 1.00 0.00 O ATOM 1594 CB CYS A 96 123.874 8.557 7.756 1.00 0.00 C ATOM 1595 SG CYS A 96 122.205 8.796 8.415 1.00 0.00 S ATOM 0 H CYS A 96 126.090 8.668 6.866 1.00 0.00 H new ATOM 0 HA CYS A 96 123.591 9.811 6.001 1.00 0.00 H new ATOM 0 HB2 CYS A 96 123.921 7.631 7.182 1.00 0.00 H new ATOM 0 HB3 CYS A 96 124.589 8.462 8.573 1.00 0.00 H new ATOM 0 HG CYS A 96 122.238 9.673 9.374 1.00 0.00 H new ATOM 1601 N LYS A 97 125.093 11.368 8.449 1.00 0.00 N ATOM 1602 CA LYS A 97 125.040 12.640 9.221 1.00 0.00 C ATOM 1603 C LYS A 97 125.301 13.818 8.281 1.00 0.00 C ATOM 1604 O LYS A 97 124.729 14.881 8.422 1.00 0.00 O ATOM 1605 CB LYS A 97 126.153 12.522 10.261 1.00 0.00 C ATOM 1606 CG LYS A 97 125.969 13.597 11.331 1.00 0.00 C ATOM 1607 CD LYS A 97 127.273 14.377 11.501 1.00 0.00 C ATOM 1608 CE LYS A 97 126.999 15.672 12.267 1.00 0.00 C ATOM 1609 NZ LYS A 97 127.427 16.761 11.346 1.00 0.00 N ATOM 0 H LYS A 97 125.923 10.797 8.609 1.00 0.00 H new ATOM 0 HA LYS A 97 124.071 12.807 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 97 126.134 11.533 10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 97 127.126 12.634 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.163 14.273 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 97 125.682 13.138 12.277 1.00 0.00 H new ATOM 0 HD2 LYS A 97 128.003 13.772 12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 97 127.703 14.604 10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 97 125.943 15.764 12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 97 127.558 15.703 13.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 127.270 17.683 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.437 16.652 11.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 126.873 16.710 10.467 1.00 0.00 H new ATOM 1623 N GLU A 98 126.156 13.628 7.316 1.00 0.00 N ATOM 1624 CA GLU A 98 126.454 14.724 6.352 1.00 0.00 C ATOM 1625 C GLU A 98 125.282 14.889 5.382 1.00 0.00 C ATOM 1626 O GLU A 98 125.136 15.904 4.731 1.00 0.00 O ATOM 1627 CB GLU A 98 127.709 14.263 5.607 1.00 0.00 C ATOM 1628 CG GLU A 98 128.831 14.003 6.613 1.00 0.00 C ATOM 1629 CD GLU A 98 130.080 14.784 6.200 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.107 15.271 5.082 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.988 14.880 7.009 1.00 0.00 O ATOM 0 H GLU A 98 126.663 12.758 7.153 1.00 0.00 H new ATOM 0 HA GLU A 98 126.605 15.686 6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.496 13.356 5.041 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.018 15.022 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.515 14.304 7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.054 12.937 6.657 1.00 0.00 H new ATOM 1638 N ASN A 99 124.445 13.892 5.288 1.00 0.00 N ATOM 1639 CA ASN A 99 123.279 13.977 4.369 1.00 0.00 C ATOM 1640 C ASN A 99 121.978 13.788 5.155 1.00 0.00 C ATOM 1641 O ASN A 99 121.037 13.184 4.681 1.00 0.00 O ATOM 1642 CB ASN A 99 123.475 12.835 3.371 1.00 0.00 C ATOM 1643 CG ASN A 99 124.784 13.045 2.607 1.00 0.00 C ATOM 1644 OD1 ASN A 99 125.851 12.784 3.125 1.00 0.00 O ATOM 1645 ND2 ASN A 99 124.746 13.508 1.389 1.00 0.00 N ATOM 0 H ASN A 99 124.521 13.020 5.811 1.00 0.00 H new ATOM 0 HA ASN A 99 123.213 14.944 3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 99 123.496 11.879 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.637 12.798 2.675 1.00 0.00 H new ATOM 0 HD21 ASN A 99 125.613 13.651 0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 99 123.850 13.727 0.954 1.00 0.00 H new ATOM 1652 N MET A 100 121.918 14.300 6.355 1.00 0.00 N ATOM 1653 CA MET A 100 120.676 14.148 7.167 1.00 0.00 C ATOM 1654 C MET A 100 119.492 14.780 6.436 1.00 0.00 C ATOM 1655 O MET A 100 118.364 14.350 6.575 1.00 0.00 O ATOM 1656 CB MET A 100 120.960 14.891 8.473 1.00 0.00 C ATOM 1657 CG MET A 100 119.767 14.734 9.417 1.00 0.00 C ATOM 1658 SD MET A 100 120.286 13.840 10.903 1.00 0.00 S ATOM 1659 CE MET A 100 121.552 15.015 11.443 1.00 0.00 C ATOM 0 H MET A 100 122.673 14.816 6.807 1.00 0.00 H new ATOM 0 HA MET A 100 120.422 13.103 7.343 1.00 0.00 H new ATOM 0 HB2 MET A 100 121.862 14.496 8.940 1.00 0.00 H new ATOM 0 HB3 MET A 100 121.142 15.947 8.271 1.00 0.00 H new ATOM 0 HG2 MET A 100 119.373 15.713 9.688 1.00 0.00 H new ATOM 0 HG3 MET A 100 118.963 14.194 8.917 1.00 0.00 H new ATOM 0 HE1 MET A 100 121.559 15.067 12.532 1.00 0.00 H new ATOM 0 HE2 MET A 100 122.529 14.686 11.089 1.00 0.00 H new ATOM 0 HE3 MET A 100 121.331 16.001 11.034 1.00 0.00 H new ATOM 1669 N TYR A 101 119.738 15.795 5.657 1.00 0.00 N ATOM 1670 CA TYR A 101 118.625 16.450 4.913 1.00 0.00 C ATOM 1671 C TYR A 101 117.984 15.450 3.950 1.00 0.00 C ATOM 1672 O TYR A 101 116.809 15.522 3.650 1.00 0.00 O ATOM 1673 CB TYR A 101 119.281 17.596 4.143 1.00 0.00 C ATOM 1674 CG TYR A 101 120.005 18.504 5.108 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.536 18.647 6.419 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.144 19.202 4.692 1.00 0.00 C ATOM 1677 CE1 TYR A 101 120.208 19.488 7.315 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.815 20.044 5.587 1.00 0.00 C ATOM 1679 CZ TYR A 101 121.347 20.186 6.899 1.00 0.00 C ATOM 1680 OH TYR A 101 122.008 21.016 7.780 1.00 0.00 O ATOM 0 H TYR A 101 120.661 16.200 5.503 1.00 0.00 H new ATOM 0 HA TYR A 101 117.836 16.808 5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 101 119.980 17.200 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.526 18.159 3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 101 118.656 18.109 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 101 121.506 19.091 3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 101 119.847 19.598 8.327 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.693 20.584 5.265 1.00 0.00 H new ATOM 0 HH TYR A 101 122.778 21.423 7.331 1.00 0.00 H new ATOM 1690 N ALA A 102 118.752 14.515 3.464 1.00 0.00 N ATOM 1691 CA ALA A 102 118.196 13.502 2.523 1.00 0.00 C ATOM 1692 C ALA A 102 117.254 12.555 3.266 1.00 0.00 C ATOM 1693 O ALA A 102 116.213 12.176 2.767 1.00 0.00 O ATOM 1694 CB ALA A 102 119.414 12.742 1.997 1.00 0.00 C ATOM 0 H ALA A 102 119.743 14.408 3.678 1.00 0.00 H new ATOM 0 HA ALA A 102 117.620 13.957 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.089 11.975 1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.085 13.436 1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.938 12.273 2.830 1.00 0.00 H new ATOM 1700 N VAL A 103 117.613 12.172 4.457 1.00 0.00 N ATOM 1701 CA VAL A 103 116.745 11.248 5.243 1.00 0.00 C ATOM 1702 C VAL A 103 115.528 11.998 5.790 1.00 0.00 C ATOM 1703 O VAL A 103 114.481 11.423 6.012 1.00 0.00 O ATOM 1704 CB VAL A 103 117.624 10.752 6.387 1.00 0.00 C ATOM 1705 CG1 VAL A 103 116.969 9.528 7.026 1.00 0.00 C ATOM 1706 CG2 VAL A 103 118.997 10.363 5.839 1.00 0.00 C ATOM 0 H VAL A 103 118.473 12.459 4.924 1.00 0.00 H new ATOM 0 HA VAL A 103 116.365 10.427 4.635 1.00 0.00 H new ATOM 0 HB VAL A 103 117.739 11.540 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.592 9.168 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 103 115.986 9.800 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 103 116.861 8.741 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.627 10.008 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 103 118.882 9.572 5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.462 11.232 5.373 1.00 0.00 H new ATOM 1716 N GLN A 104 115.659 13.277 6.014 1.00 0.00 N ATOM 1717 CA GLN A 104 114.512 14.061 6.551 1.00 0.00 C ATOM 1718 C GLN A 104 113.648 14.591 5.405 1.00 0.00 C ATOM 1719 O GLN A 104 112.500 14.944 5.593 1.00 0.00 O ATOM 1720 CB GLN A 104 115.151 15.215 7.325 1.00 0.00 C ATOM 1721 CG GLN A 104 116.047 14.654 8.432 1.00 0.00 C ATOM 1722 CD GLN A 104 115.463 15.022 9.798 1.00 0.00 C ATOM 1723 OE1 GLN A 104 114.667 14.288 10.348 1.00 0.00 O ATOM 1724 NE2 GLN A 104 115.829 16.136 10.372 1.00 0.00 N ATOM 0 H GLN A 104 116.511 13.813 5.848 1.00 0.00 H new ATOM 0 HA GLN A 104 113.859 13.459 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 104 115.737 15.839 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.377 15.850 7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 104 116.124 13.571 8.338 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.056 15.055 8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 104 116.498 16.752 9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 104 115.446 16.390 11.283 1.00 0.00 H new ATOM 1733 N THR A 105 114.187 14.650 4.218 1.00 0.00 N ATOM 1734 CA THR A 105 113.389 15.156 3.064 1.00 0.00 C ATOM 1735 C THR A 105 112.253 14.181 2.746 1.00 0.00 C ATOM 1736 O THR A 105 111.324 14.504 2.032 1.00 0.00 O ATOM 1737 CB THR A 105 114.376 15.226 1.898 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.793 15.957 0.829 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.714 13.811 1.426 1.00 0.00 C ATOM 0 H THR A 105 115.143 14.371 3.997 1.00 0.00 H new ATOM 0 HA THR A 105 112.933 16.125 3.269 1.00 0.00 H new ATOM 0 HB THR A 105 115.289 15.725 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 105 114.425 16.004 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.417 13.863 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.162 13.251 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.803 13.309 1.099 1.00 0.00 H new ATOM 1747 N LEU A 106 112.321 12.990 3.274 1.00 0.00 N ATOM 1748 CA LEU A 106 111.248 11.991 3.007 1.00 0.00 C ATOM 1749 C LEU A 106 110.010 12.309 3.848 1.00 0.00 C ATOM 1750 O LEU A 106 108.890 12.160 3.402 1.00 0.00 O ATOM 1751 CB LEU A 106 111.851 10.647 3.419 1.00 0.00 C ATOM 1752 CG LEU A 106 112.912 10.235 2.398 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.522 8.891 2.805 1.00 0.00 C ATOM 1754 CD2 LEU A 106 112.262 10.103 1.019 1.00 0.00 C ATOM 0 H LEU A 106 113.075 12.665 3.880 1.00 0.00 H new ATOM 0 HA LEU A 106 110.929 11.991 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.295 10.724 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.071 9.888 3.477 1.00 0.00 H new ATOM 0 HG LEU A 106 113.696 10.991 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.278 8.599 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 106 113.983 8.983 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.740 8.132 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 106 113.016 9.809 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.479 9.346 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.828 11.060 0.728 1.00 0.00 H new ATOM 1766 N LYS A 107 110.203 12.748 5.061 1.00 0.00 N ATOM 1767 CA LYS A 107 109.036 13.078 5.928 1.00 0.00 C ATOM 1768 C LYS A 107 108.112 14.065 5.212 1.00 0.00 C ATOM 1769 O LYS A 107 106.952 14.201 5.547 1.00 0.00 O ATOM 1770 CB LYS A 107 109.639 13.719 7.179 1.00 0.00 C ATOM 1771 CG LYS A 107 110.228 15.084 6.820 1.00 0.00 C ATOM 1772 CD LYS A 107 109.301 16.192 7.324 1.00 0.00 C ATOM 1773 CE LYS A 107 110.138 17.352 7.867 1.00 0.00 C ATOM 1774 NZ LYS A 107 109.601 18.565 7.190 1.00 0.00 N ATOM 0 H LYS A 107 111.117 12.893 5.489 1.00 0.00 H new ATOM 0 HA LYS A 107 108.438 12.199 6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 107 108.874 13.832 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.414 13.074 7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 107 111.217 15.193 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.354 15.164 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 107 108.660 16.540 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.646 15.805 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 107 110.046 17.432 8.950 1.00 0.00 H new ATOM 0 HE3 LYS A 107 111.196 17.213 7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 110.126 19.403 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 109.708 18.464 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.594 18.676 7.424 1.00 0.00 H new ATOM 1987 N VAL A 121 103.031 7.323 4.758 1.00 0.00 N ATOM 1988 CA VAL A 121 103.646 7.607 6.085 1.00 0.00 C ATOM 1989 C VAL A 121 104.779 6.620 6.364 1.00 0.00 C ATOM 1990 O VAL A 121 105.828 6.988 6.849 1.00 0.00 O ATOM 1991 CB VAL A 121 102.509 7.425 7.093 1.00 0.00 C ATOM 1992 CG1 VAL A 121 102.295 5.937 7.381 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.866 8.150 8.392 1.00 0.00 C ATOM 0 HA VAL A 121 104.079 8.606 6.137 1.00 0.00 H new ATOM 0 HB VAL A 121 101.591 7.841 6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.484 5.818 8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 121 102.039 5.421 6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 121 103.210 5.511 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 121 102.059 8.023 9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.786 7.733 8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 121 103.008 9.212 8.189 1.00 0.00 H new ATOM 2003 N ASN A 122 104.562 5.369 6.063 1.00 0.00 N ATOM 2004 CA ASN A 122 105.612 4.334 6.307 1.00 0.00 C ATOM 2005 C ASN A 122 107.008 4.897 6.019 1.00 0.00 C ATOM 2006 O ASN A 122 107.987 4.477 6.602 1.00 0.00 O ATOM 2007 CB ASN A 122 105.284 3.203 5.332 1.00 0.00 C ATOM 2008 CG ASN A 122 104.325 2.216 5.998 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.587 1.733 7.082 1.00 0.00 O ATOM 2010 ND2 ASN A 122 103.216 1.892 5.391 1.00 0.00 N ATOM 0 H ASN A 122 103.697 5.015 5.655 1.00 0.00 H new ATOM 0 HA ASN A 122 105.619 3.998 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.833 3.609 4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 122 106.198 2.691 5.032 1.00 0.00 H new ATOM 0 HD21 ASN A 122 102.570 1.234 5.826 1.00 0.00 H new ATOM 0 HD22 ASN A 122 102.995 2.297 4.481 1.00 0.00 H new ATOM 2017 N VAL A 123 107.106 5.844 5.127 1.00 0.00 N ATOM 2018 CA VAL A 123 108.439 6.429 4.809 1.00 0.00 C ATOM 2019 C VAL A 123 108.767 7.565 5.783 1.00 0.00 C ATOM 2020 O VAL A 123 109.717 7.499 6.532 1.00 0.00 O ATOM 2021 CB VAL A 123 108.303 6.963 3.382 1.00 0.00 C ATOM 2022 CG1 VAL A 123 109.435 7.951 3.092 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.380 5.796 2.394 1.00 0.00 C ATOM 0 H VAL A 123 106.323 6.237 4.606 1.00 0.00 H new ATOM 0 HA VAL A 123 109.244 5.699 4.896 1.00 0.00 H new ATOM 0 HB VAL A 123 107.344 7.471 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 123 109.336 8.330 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 123 109.382 8.782 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 123 110.395 7.446 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.283 6.174 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.339 5.289 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.573 5.093 2.598 1.00 0.00 H new ATOM 2033 N ARG A 124 107.989 8.611 5.771 1.00 0.00 N ATOM 2034 CA ARG A 124 108.259 9.756 6.688 1.00 0.00 C ATOM 2035 C ARG A 124 108.651 9.259 8.084 1.00 0.00 C ATOM 2036 O ARG A 124 109.445 9.871 8.771 1.00 0.00 O ATOM 2037 CB ARG A 124 106.940 10.527 6.747 1.00 0.00 C ATOM 2038 CG ARG A 124 106.994 11.547 7.886 1.00 0.00 C ATOM 2039 CD ARG A 124 105.978 11.158 8.965 1.00 0.00 C ATOM 2040 NE ARG A 124 105.524 12.452 9.547 1.00 0.00 N ATOM 2041 CZ ARG A 124 104.544 13.110 8.989 1.00 0.00 C ATOM 2042 NH1 ARG A 124 103.369 12.556 8.871 1.00 0.00 N ATOM 2043 NH2 ARG A 124 104.743 14.322 8.546 1.00 0.00 N ATOM 0 H ARG A 124 107.176 8.724 5.165 1.00 0.00 H new ATOM 0 HA ARG A 124 109.086 10.373 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.761 11.034 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 124 106.110 9.837 6.902 1.00 0.00 H new ATOM 0 HG2 ARG A 124 107.997 11.582 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 124 106.774 12.545 7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.143 10.601 8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 124 106.432 10.521 9.724 1.00 0.00 H new ATOM 0 HE ARG A 124 105.979 12.824 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 124 103.215 11.608 9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 124 102.604 13.071 8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 124 105.663 14.753 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 124 103.979 14.837 8.110 1.00 0.00 H new ATOM 2057 N GLU A 125 108.093 8.163 8.515 1.00 0.00 N ATOM 2058 CA GLU A 125 108.422 7.641 9.875 1.00 0.00 C ATOM 2059 C GLU A 125 109.729 6.839 9.863 1.00 0.00 C ATOM 2060 O GLU A 125 110.636 7.108 10.624 1.00 0.00 O ATOM 2061 CB GLU A 125 107.244 6.738 10.244 1.00 0.00 C ATOM 2062 CG GLU A 125 105.953 7.560 10.254 1.00 0.00 C ATOM 2063 CD GLU A 125 105.182 7.283 11.545 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.843 6.134 11.774 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.941 8.225 12.282 1.00 0.00 O ATOM 0 H GLU A 125 107.423 7.604 7.986 1.00 0.00 H new ATOM 0 HA GLU A 125 108.568 8.449 10.592 1.00 0.00 H new ATOM 0 HB2 GLU A 125 107.161 5.920 9.528 1.00 0.00 H new ATOM 0 HB3 GLU A 125 107.409 6.289 11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 125 106.185 8.622 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.340 7.304 9.390 1.00 0.00 H new ATOM 2072 N LYS A 126 109.832 5.848 9.018 1.00 0.00 N ATOM 2073 CA LYS A 126 111.080 5.030 8.979 1.00 0.00 C ATOM 2074 C LYS A 126 112.307 5.937 8.872 1.00 0.00 C ATOM 2075 O LYS A 126 113.258 5.807 9.617 1.00 0.00 O ATOM 2076 CB LYS A 126 110.946 4.161 7.729 1.00 0.00 C ATOM 2077 CG LYS A 126 111.141 2.691 8.103 1.00 0.00 C ATOM 2078 CD LYS A 126 112.458 2.527 8.866 1.00 0.00 C ATOM 2079 CE LYS A 126 112.863 1.051 8.875 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.804 0.644 10.308 1.00 0.00 N ATOM 0 H LYS A 126 109.109 5.570 8.355 1.00 0.00 H new ATOM 0 HA LYS A 126 111.207 4.431 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.964 4.305 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 126 111.686 4.459 6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 126 110.308 2.348 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 126 111.150 2.074 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 126 113.239 3.126 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 126 112.346 2.891 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.186 0.452 8.266 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.864 0.914 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.069 -0.358 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 113.464 1.227 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 111.838 0.779 10.668 1.00 0.00 H new ATOM 2094 N ALA A 127 112.292 6.851 7.945 1.00 0.00 N ATOM 2095 CA ALA A 127 113.453 7.769 7.776 1.00 0.00 C ATOM 2096 C ALA A 127 113.670 8.596 9.048 1.00 0.00 C ATOM 2097 O ALA A 127 114.786 8.785 9.491 1.00 0.00 O ATOM 2098 CB ALA A 127 113.069 8.674 6.605 1.00 0.00 C ATOM 0 H ALA A 127 111.522 7.003 7.293 1.00 0.00 H new ATOM 0 HA ALA A 127 114.382 7.230 7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.874 9.383 6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.902 8.067 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.157 9.218 6.850 1.00 0.00 H new ATOM 2104 N LYS A 128 112.616 9.092 9.635 1.00 0.00 N ATOM 2105 CA LYS A 128 112.770 9.908 10.874 1.00 0.00 C ATOM 2106 C LYS A 128 113.536 9.120 11.941 1.00 0.00 C ATOM 2107 O LYS A 128 114.554 9.559 12.439 1.00 0.00 O ATOM 2108 CB LYS A 128 111.342 10.193 11.339 1.00 0.00 C ATOM 2109 CG LYS A 128 110.915 11.579 10.852 1.00 0.00 C ATOM 2110 CD LYS A 128 110.383 12.394 12.032 1.00 0.00 C ATOM 2111 CE LYS A 128 110.161 13.842 11.594 1.00 0.00 C ATOM 2112 NZ LYS A 128 110.304 14.648 12.839 1.00 0.00 N ATOM 0 H LYS A 128 111.656 8.968 9.312 1.00 0.00 H new ATOM 0 HA LYS A 128 113.333 10.824 10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.663 9.434 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 128 111.286 10.144 12.426 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.761 12.092 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.146 11.486 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.448 11.965 12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 128 111.090 12.358 12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 128 110.891 14.143 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 128 109.174 13.973 11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 110.165 15.655 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 109.592 14.344 13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 111.255 14.509 13.235 1.00 0.00 H new ATOM 2126 N GLN A 129 113.053 7.961 12.297 1.00 0.00 N ATOM 2127 CA GLN A 129 113.753 7.147 13.334 1.00 0.00 C ATOM 2128 C GLN A 129 115.229 6.970 12.970 1.00 0.00 C ATOM 2129 O GLN A 129 116.100 7.096 13.805 1.00 0.00 O ATOM 2130 CB GLN A 129 113.034 5.798 13.329 1.00 0.00 C ATOM 2131 CG GLN A 129 112.108 5.706 14.544 1.00 0.00 C ATOM 2132 CD GLN A 129 110.651 5.736 14.078 1.00 0.00 C ATOM 2133 OE1 GLN A 129 110.036 6.784 14.035 1.00 0.00 O ATOM 2134 NE2 GLN A 129 110.068 4.623 13.726 1.00 0.00 N ATOM 0 H GLN A 129 112.205 7.542 11.916 1.00 0.00 H new ATOM 0 HA GLN A 129 113.727 7.622 14.315 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.458 5.685 12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.761 4.987 13.351 1.00 0.00 H new ATOM 0 HG2 GLN A 129 112.305 4.787 15.096 1.00 0.00 H new ATOM 0 HG3 GLN A 129 112.300 6.535 15.225 1.00 0.00 H new ATOM 0 HE21 GLN A 129 110.584 3.744 13.762 1.00 0.00 H new ATOM 0 HE22 GLN A 129 109.097 4.632 13.415 1.00 0.00 H new ATOM 2143 N LEU A 130 115.519 6.674 11.732 1.00 0.00 N ATOM 2144 CA LEU A 130 116.944 6.489 11.331 1.00 0.00 C ATOM 2145 C LEU A 130 117.756 7.736 11.683 1.00 0.00 C ATOM 2146 O LEU A 130 118.873 7.651 12.154 1.00 0.00 O ATOM 2147 CB LEU A 130 116.913 6.276 9.817 1.00 0.00 C ATOM 2148 CG LEU A 130 118.174 5.527 9.384 1.00 0.00 C ATOM 2149 CD1 LEU A 130 117.803 4.433 8.381 1.00 0.00 C ATOM 2150 CD2 LEU A 130 119.150 6.506 8.728 1.00 0.00 C ATOM 0 H LEU A 130 114.836 6.553 10.984 1.00 0.00 H new ATOM 0 HA LEU A 130 117.410 5.649 11.846 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.025 5.709 9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.853 7.236 9.305 1.00 0.00 H new ATOM 0 HG LEU A 130 118.642 5.075 10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 130 118.703 3.901 8.074 1.00 0.00 H new ATOM 0 HD12 LEU A 130 117.108 3.733 8.846 1.00 0.00 H new ATOM 0 HD13 LEU A 130 117.333 4.885 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.049 5.972 8.419 1.00 0.00 H new ATOM 0 HD22 LEU A 130 118.679 6.959 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.418 7.285 9.441 1.00 0.00 H new ATOM 2162 N VAL A 131 117.199 8.893 11.463 1.00 0.00 N ATOM 2163 CA VAL A 131 117.934 10.149 11.789 1.00 0.00 C ATOM 2164 C VAL A 131 118.091 10.286 13.305 1.00 0.00 C ATOM 2165 O VAL A 131 118.990 10.943 13.791 1.00 0.00 O ATOM 2166 CB VAL A 131 117.059 11.275 11.241 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.528 12.612 11.815 1.00 0.00 C ATOM 2168 CG2 VAL A 131 117.168 11.310 9.715 1.00 0.00 C ATOM 0 H VAL A 131 116.266 9.025 11.071 1.00 0.00 H new ATOM 0 HA VAL A 131 118.936 10.165 11.359 1.00 0.00 H new ATOM 0 HB VAL A 131 116.022 11.100 11.528 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.903 13.415 11.424 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.450 12.589 12.902 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.565 12.787 11.529 1.00 0.00 H new ATOM 0 HG21 VAL A 131 116.544 12.113 9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.205 11.484 9.428 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.833 10.358 9.304 1.00 0.00 H new ATOM 2178 N ALA A 132 117.217 9.671 14.055 1.00 0.00 N ATOM 2179 CA ALA A 132 117.306 9.764 15.541 1.00 0.00 C ATOM 2180 C ALA A 132 118.437 8.872 16.065 1.00 0.00 C ATOM 2181 O ALA A 132 119.286 9.308 16.818 1.00 0.00 O ATOM 2182 CB ALA A 132 115.951 9.263 16.045 1.00 0.00 C ATOM 0 H ALA A 132 116.444 9.107 13.702 1.00 0.00 H new ATOM 0 HA ALA A 132 117.522 10.777 15.880 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.932 9.299 17.134 1.00 0.00 H new ATOM 0 HB2 ALA A 132 115.158 9.896 15.647 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.796 8.236 15.713 1.00 0.00 H new ATOM 2188 N LEU A 133 118.450 7.627 15.677 1.00 0.00 N ATOM 2189 CA LEU A 133 119.520 6.704 16.154 1.00 0.00 C ATOM 2190 C LEU A 133 120.904 7.333 15.958 1.00 0.00 C ATOM 2191 O LEU A 133 121.801 7.137 16.755 1.00 0.00 O ATOM 2192 CB LEU A 133 119.374 5.452 15.288 1.00 0.00 C ATOM 2193 CG LEU A 133 119.740 4.216 16.110 1.00 0.00 C ATOM 2194 CD1 LEU A 133 118.793 3.067 15.757 1.00 0.00 C ATOM 2195 CD2 LEU A 133 121.180 3.803 15.796 1.00 0.00 C ATOM 0 H LEU A 133 117.765 7.207 15.049 1.00 0.00 H new ATOM 0 HA LEU A 133 119.426 6.483 17.217 1.00 0.00 H new ATOM 0 HB2 LEU A 133 118.351 5.368 14.922 1.00 0.00 H new ATOM 0 HB3 LEU A 133 120.021 5.525 14.414 1.00 0.00 H new ATOM 0 HG LEU A 133 119.650 4.447 17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 133 119.055 2.186 16.344 1.00 0.00 H new ATOM 0 HD12 LEU A 133 117.767 3.360 15.980 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.882 2.835 14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 133 121.442 2.922 16.382 1.00 0.00 H new ATOM 0 HD22 LEU A 133 121.269 3.573 14.734 1.00 0.00 H new ATOM 0 HD23 LEU A 133 121.856 4.620 16.048 1.00 0.00 H new ATOM 2207 N LEU A 134 121.087 8.083 14.906 1.00 0.00 N ATOM 2208 CA LEU A 134 122.417 8.714 14.666 1.00 0.00 C ATOM 2209 C LEU A 134 122.529 10.034 15.435 1.00 0.00 C ATOM 2210 O LEU A 134 123.556 10.348 16.001 1.00 0.00 O ATOM 2211 CB LEU A 134 122.470 8.967 13.159 1.00 0.00 C ATOM 2212 CG LEU A 134 122.834 7.669 12.436 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.597 7.113 11.729 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.928 7.950 11.402 1.00 0.00 C ATOM 0 H LEU A 134 120.376 8.286 14.204 1.00 0.00 H new ATOM 0 HA LEU A 134 123.238 8.081 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 134 121.506 9.334 12.807 1.00 0.00 H new ATOM 0 HB3 LEU A 134 123.206 9.739 12.935 1.00 0.00 H new ATOM 0 HG LEU A 134 123.196 6.940 13.161 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.857 6.188 11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.817 6.912 12.464 1.00 0.00 H new ATOM 0 HD13 LEU A 134 121.234 7.842 11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 134 124.188 7.025 10.887 1.00 0.00 H new ATOM 0 HD22 LEU A 134 123.565 8.680 10.678 1.00 0.00 H new ATOM 0 HD23 LEU A 134 124.811 8.345 11.905 1.00 0.00 H new