USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 MET CE :methyl 140:sc= -3.98! (180deg=-6!) USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 95 GLN : amide:sc= -2.19! C(o=-1.9!,f=-7.5!) USER MOD Set 2.2: A 99 ASN : amide:sc= 0.307 K(o=-1.9,f=-2.5) USER MOD Set 3.1: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 122 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.4!) USER MOD Set 4.1: A 57 MET CE :methyl -121:sc= -4.55! (180deg=-9.25!) USER MOD Set 4.2: A 96 CYS SG : rot -41:sc= -5.04! USER MOD Set 5.1: A 41 SER OG : rot 53:sc= 0.598 USER MOD Set 5.2: A 83 TYR OH : rot 180:sc= -1.72! USER MOD Single : A 23 LYS NZ :NH3+ -162:sc= -0.361 (180deg=-1.04) USER MOD Single : A 28 THR OG1 : rot 62:sc= 0.939 USER MOD Single : A 40 MET CE :methyl -171:sc= -4.12! (180deg=-4.25!) USER MOD Single : A 47 THR OG1 : rot -71:sc= -0.708 USER MOD Single : A 48 TYR OH : rot 115:sc= 0.685 USER MOD Single : A 49 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.1) USER MOD Single : A 73 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-0.75) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -120:sc= -11! (180deg=-16.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 168:sc= -11.5! (180deg=-11.7!) 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 180:sc= 0.242 USER MOD Single : A 93 SER OG : rot 180:sc= -0.592 USER MOD Single : A 94 GLN : amide:sc= -0.001 X(o=-0.001,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.784 K(o=-0.78,f=-2.6!) USER MOD Single : A 105 THR OG1 : rot -37:sc= 0.0099 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 355 N GLU A 19 129.995 -6.710 -5.581 1.00 0.00 N ATOM 356 CA GLU A 19 128.680 -6.385 -6.203 1.00 0.00 C ATOM 357 C GLU A 19 127.754 -5.732 -5.173 1.00 0.00 C ATOM 358 O GLU A 19 126.611 -6.114 -5.023 1.00 0.00 O ATOM 359 CB GLU A 19 128.110 -7.731 -6.655 1.00 0.00 C ATOM 360 CG GLU A 19 128.295 -8.765 -5.542 1.00 0.00 C ATOM 361 CD GLU A 19 127.006 -9.569 -5.372 1.00 0.00 C ATOM 362 OE1 GLU A 19 126.845 -10.551 -6.078 1.00 0.00 O ATOM 363 OE2 GLU A 19 126.199 -9.189 -4.538 1.00 0.00 O ATOM 0 HA GLU A 19 128.779 -5.684 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 19 127.052 -7.627 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 19 128.613 -8.064 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 19 129.122 -9.432 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 19 128.551 -8.266 -4.607 1.00 0.00 H new ATOM 370 N ALA A 20 128.238 -4.748 -4.464 1.00 0.00 N ATOM 371 CA ALA A 20 127.383 -4.074 -3.446 1.00 0.00 C ATOM 372 C ALA A 20 126.214 -3.359 -4.127 1.00 0.00 C ATOM 373 O ALA A 20 125.063 -3.611 -3.830 1.00 0.00 O ATOM 374 CB ALA A 20 128.303 -3.064 -2.759 1.00 0.00 C ATOM 0 H ALA A 20 129.187 -4.383 -4.546 1.00 0.00 H new ATOM 0 HA ALA A 20 126.953 -4.780 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 20 127.745 -2.525 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 20 129.139 -3.589 -2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 128.682 -2.357 -3.497 1.00 0.00 H new ATOM 380 N GLU A 21 126.499 -2.471 -5.041 1.00 0.00 N ATOM 381 CA GLU A 21 125.401 -1.744 -5.740 1.00 0.00 C ATOM 382 C GLU A 21 124.277 -2.718 -6.107 1.00 0.00 C ATOM 383 O GLU A 21 123.124 -2.348 -6.195 1.00 0.00 O ATOM 384 CB GLU A 21 126.045 -1.168 -7.002 1.00 0.00 C ATOM 385 CG GLU A 21 126.311 -2.296 -8.001 1.00 0.00 C ATOM 386 CD GLU A 21 126.813 -1.705 -9.320 1.00 0.00 C ATOM 387 OE1 GLU A 21 126.795 -0.491 -9.447 1.00 0.00 O ATOM 388 OE2 GLU A 21 127.209 -2.475 -10.179 1.00 0.00 O ATOM 0 H GLU A 21 127.443 -2.218 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 21 124.959 -0.965 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 21 125.390 -0.420 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 21 126.978 -0.664 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.050 -2.987 -7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.399 -2.868 -8.171 1.00 0.00 H new ATOM 395 N ILE A 22 124.608 -3.963 -6.318 1.00 0.00 N ATOM 396 CA ILE A 22 123.562 -4.963 -6.676 1.00 0.00 C ATOM 397 C ILE A 22 122.727 -5.314 -5.441 1.00 0.00 C ATOM 398 O ILE A 22 121.524 -5.157 -5.431 1.00 0.00 O ATOM 399 CB ILE A 22 124.334 -6.187 -7.166 1.00 0.00 C ATOM 400 CG1 ILE A 22 125.255 -5.780 -8.318 1.00 0.00 C ATOM 401 CG2 ILE A 22 123.349 -7.249 -7.656 1.00 0.00 C ATOM 402 CD1 ILE A 22 125.962 -7.019 -8.869 1.00 0.00 C ATOM 0 H ILE A 22 125.557 -4.331 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 22 122.872 -4.588 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 22 124.929 -6.592 -6.348 1.00 0.00 H new ATOM 0 HG12 ILE A 22 124.677 -5.297 -9.106 1.00 0.00 H new ATOM 0 HG13 ILE A 22 125.990 -5.053 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 22 123.900 -8.122 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 22 122.690 -7.539 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 22 122.754 -6.844 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 22 126.618 -6.729 -9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 22 126.553 -7.482 -8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 22 125.220 -7.730 -9.232 1.00 0.00 H new ATOM 414 N LYS A 23 123.359 -5.787 -4.401 1.00 0.00 N ATOM 415 CA LYS A 23 122.599 -6.145 -3.169 1.00 0.00 C ATOM 416 C LYS A 23 121.646 -5.010 -2.787 1.00 0.00 C ATOM 417 O LYS A 23 120.469 -5.220 -2.570 1.00 0.00 O ATOM 418 CB LYS A 23 123.664 -6.336 -2.088 1.00 0.00 C ATOM 419 CG LYS A 23 124.612 -7.465 -2.497 1.00 0.00 C ATOM 420 CD LYS A 23 124.392 -8.671 -1.583 1.00 0.00 C ATOM 421 CE LYS A 23 123.673 -9.776 -2.359 1.00 0.00 C ATOM 422 NZ LYS A 23 124.427 -11.020 -2.044 1.00 0.00 N ATOM 0 H LYS A 23 124.366 -5.941 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 23 121.990 -7.039 -3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 23 124.223 -5.411 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 23 123.191 -6.572 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 23 124.435 -7.745 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 23 125.646 -7.128 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 23 125.349 -9.037 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 23 123.802 -8.379 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 23 122.630 -9.858 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 23 123.676 -9.573 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 124.204 -11.750 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 125.448 -10.821 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 124.157 -11.360 -1.099 1.00 0.00 H new ATOM 436 N VAL A 24 122.146 -3.808 -2.705 1.00 0.00 N ATOM 437 CA VAL A 24 121.272 -2.658 -2.337 1.00 0.00 C ATOM 438 C VAL A 24 120.089 -2.561 -3.306 1.00 0.00 C ATOM 439 O VAL A 24 118.987 -2.223 -2.922 1.00 0.00 O ATOM 440 CB VAL A 24 122.168 -1.426 -2.459 1.00 0.00 C ATOM 441 CG1 VAL A 24 121.439 -0.206 -1.893 1.00 0.00 C ATOM 442 CG2 VAL A 24 123.459 -1.657 -1.669 1.00 0.00 C ATOM 0 H VAL A 24 123.123 -3.572 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 24 120.854 -2.760 -1.336 1.00 0.00 H new ATOM 0 HB VAL A 24 122.407 -1.253 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 24 122.078 0.673 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 24 120.518 -0.041 -2.452 1.00 0.00 H new ATOM 0 HG13 VAL A 24 121.201 -0.379 -0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 24 124.100 -0.779 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 24 123.218 -1.829 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 24 123.980 -2.527 -2.069 1.00 0.00 H new ATOM 452 N ARG A 25 120.307 -2.858 -4.558 1.00 0.00 N ATOM 453 CA ARG A 25 119.193 -2.783 -5.546 1.00 0.00 C ATOM 454 C ARG A 25 118.146 -3.856 -5.243 1.00 0.00 C ATOM 455 O ARG A 25 116.957 -3.635 -5.369 1.00 0.00 O ATOM 456 CB ARG A 25 119.847 -3.039 -6.904 1.00 0.00 C ATOM 457 CG ARG A 25 119.013 -2.383 -8.006 1.00 0.00 C ATOM 458 CD ARG A 25 119.487 -2.883 -9.373 1.00 0.00 C ATOM 459 NE ARG A 25 118.431 -2.449 -10.328 1.00 0.00 N ATOM 460 CZ ARG A 25 118.335 -1.192 -10.667 1.00 0.00 C ATOM 461 NH1 ARG A 25 119.379 -0.558 -11.127 1.00 0.00 N ATOM 462 NH2 ARG A 25 117.195 -0.568 -10.545 1.00 0.00 N ATOM 0 H ARG A 25 121.207 -3.149 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 25 118.680 -1.822 -5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 25 120.860 -2.637 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 25 119.928 -4.111 -7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 117.958 -2.619 -7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 119.107 -1.298 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 25 120.456 -2.457 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG A 25 119.603 -3.967 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 25 117.783 -3.133 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 25 120.270 -1.045 -11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 25 119.303 0.424 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 25 116.379 -1.063 -10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 25 117.120 0.414 -10.810 1.00 0.00 H new ATOM 476 N GLU A 26 118.579 -5.017 -4.841 1.00 0.00 N ATOM 477 CA GLU A 26 117.614 -6.108 -4.526 1.00 0.00 C ATOM 478 C GLU A 26 117.046 -5.913 -3.118 1.00 0.00 C ATOM 479 O GLU A 26 116.058 -6.515 -2.748 1.00 0.00 O ATOM 480 CB GLU A 26 118.435 -7.396 -4.600 1.00 0.00 C ATOM 481 CG GLU A 26 118.234 -8.053 -5.967 1.00 0.00 C ATOM 482 CD GLU A 26 117.322 -9.271 -5.820 1.00 0.00 C ATOM 483 OE1 GLU A 26 117.286 -9.835 -4.738 1.00 0.00 O ATOM 484 OE2 GLU A 26 116.673 -9.622 -6.793 1.00 0.00 O ATOM 0 H GLU A 26 119.562 -5.259 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 26 116.768 -6.126 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 26 119.491 -7.176 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 26 118.130 -8.080 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 26 117.795 -7.339 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 26 119.196 -8.354 -6.382 1.00 0.00 H new ATOM 491 N ALA A 27 117.663 -5.075 -2.332 1.00 0.00 N ATOM 492 CA ALA A 27 117.161 -4.840 -0.949 1.00 0.00 C ATOM 493 C ALA A 27 115.943 -3.914 -0.978 1.00 0.00 C ATOM 494 O ALA A 27 115.160 -3.873 -0.050 1.00 0.00 O ATOM 495 CB ALA A 27 118.324 -4.171 -0.214 1.00 0.00 C ATOM 0 H ALA A 27 118.494 -4.542 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 27 116.847 -5.763 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 27 118.033 -3.964 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 27 119.189 -4.835 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 27 118.580 -3.236 -0.713 1.00 0.00 H new ATOM 501 N THR A 28 115.776 -3.171 -2.037 1.00 0.00 N ATOM 502 CA THR A 28 114.607 -2.249 -2.124 1.00 0.00 C ATOM 503 C THR A 28 113.820 -2.511 -3.411 1.00 0.00 C ATOM 504 O THR A 28 113.697 -1.651 -4.262 1.00 0.00 O ATOM 505 CB THR A 28 115.211 -0.842 -2.135 1.00 0.00 C ATOM 506 OG1 THR A 28 115.878 -0.625 -3.370 1.00 0.00 O ATOM 507 CG2 THR A 28 116.207 -0.705 -0.982 1.00 0.00 C ATOM 0 H THR A 28 116.398 -3.162 -2.846 1.00 0.00 H new ATOM 0 HA THR A 28 113.911 -2.385 -1.297 1.00 0.00 H new ATOM 0 HB THR A 28 114.418 -0.103 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 28 115.232 -0.682 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 28 116.637 0.297 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 28 115.693 -0.872 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 28 117.002 -1.442 -1.098 1.00 0.00 H new ATOM 644 N LEU A 39 120.027 -10.476 2.700 1.00 0.00 N ATOM 645 CA LEU A 39 120.581 -9.443 1.778 1.00 0.00 C ATOM 646 C LEU A 39 120.980 -8.191 2.563 1.00 0.00 C ATOM 647 O LEU A 39 121.609 -7.293 2.040 1.00 0.00 O ATOM 648 CB LEU A 39 119.442 -9.127 0.807 1.00 0.00 C ATOM 649 CG LEU A 39 119.941 -8.154 -0.263 1.00 0.00 C ATOM 650 CD1 LEU A 39 119.830 -8.809 -1.640 1.00 0.00 C ATOM 651 CD2 LEU A 39 119.088 -6.884 -0.232 1.00 0.00 C ATOM 0 HA LEU A 39 121.475 -9.790 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 39 119.082 -10.044 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 39 118.600 -8.692 1.346 1.00 0.00 H new ATOM 0 HG LEU A 39 120.982 -7.899 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 39 120.185 -8.116 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 39 120.436 -9.715 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 39 118.789 -9.064 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 39 119.442 -6.189 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 39 118.047 -7.140 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 39 119.167 -6.417 0.750 1.00 0.00 H new ATOM 663 N MET A 40 120.619 -8.123 3.816 1.00 0.00 N ATOM 664 CA MET A 40 120.980 -6.929 4.632 1.00 0.00 C ATOM 665 C MET A 40 122.391 -7.087 5.205 1.00 0.00 C ATOM 666 O MET A 40 123.196 -6.179 5.158 1.00 0.00 O ATOM 667 CB MET A 40 119.946 -6.890 5.758 1.00 0.00 C ATOM 668 CG MET A 40 118.539 -6.928 5.161 1.00 0.00 C ATOM 669 SD MET A 40 118.278 -5.462 4.132 1.00 0.00 S ATOM 670 CE MET A 40 116.961 -4.719 5.126 1.00 0.00 C ATOM 0 H MET A 40 120.090 -8.842 4.309 1.00 0.00 H new ATOM 0 HA MET A 40 120.977 -6.011 4.044 1.00 0.00 H new ATOM 0 HB2 MET A 40 120.091 -7.737 6.428 1.00 0.00 H new ATOM 0 HB3 MET A 40 120.075 -5.986 6.354 1.00 0.00 H new ATOM 0 HG2 MET A 40 118.410 -7.831 4.565 1.00 0.00 H new ATOM 0 HG3 MET A 40 117.796 -6.963 5.957 1.00 0.00 H new ATOM 0 HE1 MET A 40 116.532 -3.874 4.588 1.00 0.00 H new ATOM 0 HE2 MET A 40 116.185 -5.461 5.315 1.00 0.00 H new ATOM 0 HE3 MET A 40 117.372 -4.374 6.075 1.00 0.00 H new ATOM 680 N SER A 41 122.694 -8.236 5.745 1.00 0.00 N ATOM 681 CA SER A 41 124.052 -8.453 6.322 1.00 0.00 C ATOM 682 C SER A 41 125.115 -8.370 5.223 1.00 0.00 C ATOM 683 O SER A 41 126.244 -7.992 5.465 1.00 0.00 O ATOM 684 CB SER A 41 124.006 -9.858 6.920 1.00 0.00 C ATOM 685 OG SER A 41 124.666 -9.854 8.179 1.00 0.00 O ATOM 0 H SER A 41 122.061 -9.033 5.812 1.00 0.00 H new ATOM 0 HA SER A 41 124.310 -7.701 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 41 122.972 -10.181 7.039 1.00 0.00 H new ATOM 0 HB3 SER A 41 124.486 -10.568 6.247 1.00 0.00 H new ATOM 0 HG SER A 41 124.290 -9.146 8.743 1.00 0.00 H new ATOM 691 N GLU A 42 124.763 -8.718 4.016 1.00 0.00 N ATOM 692 CA GLU A 42 125.755 -8.657 2.905 1.00 0.00 C ATOM 693 C GLU A 42 126.026 -7.200 2.521 1.00 0.00 C ATOM 694 O GLU A 42 127.160 -6.776 2.420 1.00 0.00 O ATOM 695 CB GLU A 42 125.098 -9.406 1.745 1.00 0.00 C ATOM 696 CG GLU A 42 126.138 -10.288 1.051 1.00 0.00 C ATOM 697 CD GLU A 42 126.618 -11.369 2.021 1.00 0.00 C ATOM 698 OE1 GLU A 42 126.091 -11.427 3.120 1.00 0.00 O ATOM 699 OE2 GLU A 42 127.503 -12.121 1.648 1.00 0.00 O ATOM 0 H GLU A 42 123.833 -9.042 3.751 1.00 0.00 H new ATOM 0 HA GLU A 42 126.714 -9.097 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 42 124.275 -10.018 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 42 124.675 -8.697 1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 42 125.706 -10.748 0.162 1.00 0.00 H new ATOM 0 HG3 GLU A 42 126.981 -9.682 0.719 1.00 0.00 H new ATOM 706 N ILE A 43 124.994 -6.431 2.308 1.00 0.00 N ATOM 707 CA ILE A 43 125.197 -5.002 1.934 1.00 0.00 C ATOM 708 C ILE A 43 126.056 -4.300 2.991 1.00 0.00 C ATOM 709 O ILE A 43 126.843 -3.429 2.684 1.00 0.00 O ATOM 710 CB ILE A 43 123.793 -4.404 1.880 1.00 0.00 C ATOM 711 CG1 ILE A 43 123.028 -5.021 0.706 1.00 0.00 C ATOM 712 CG2 ILE A 43 123.886 -2.888 1.687 1.00 0.00 C ATOM 713 CD1 ILE A 43 121.650 -4.370 0.590 1.00 0.00 C ATOM 0 H ILE A 43 124.021 -6.729 2.376 1.00 0.00 H new ATOM 0 HA ILE A 43 125.717 -4.888 0.983 1.00 0.00 H new ATOM 0 HB ILE A 43 123.270 -4.617 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 43 123.587 -4.880 -0.219 1.00 0.00 H new ATOM 0 HG13 ILE A 43 122.922 -6.096 0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 43 122.883 -2.464 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 43 124.434 -2.448 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 43 124.407 -2.671 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 43 121.108 -4.811 -0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 43 121.091 -4.534 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 43 121.766 -3.299 0.422 1.00 0.00 H new ATOM 725 N ALA A 44 125.919 -4.682 4.232 1.00 0.00 N ATOM 726 CA ALA A 44 126.741 -4.044 5.301 1.00 0.00 C ATOM 727 C ALA A 44 128.195 -4.508 5.170 1.00 0.00 C ATOM 728 O ALA A 44 129.114 -3.711 5.085 1.00 0.00 O ATOM 729 CB ALA A 44 126.132 -4.531 6.616 1.00 0.00 C ATOM 0 H ALA A 44 125.276 -5.406 4.552 1.00 0.00 H new ATOM 0 HA ALA A 44 126.741 -2.956 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 44 126.684 -4.103 7.453 1.00 0.00 H new ATOM 0 HB2 ALA A 44 125.089 -4.219 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 44 126.188 -5.619 6.662 1.00 0.00 H new ATOM 735 N ASP A 45 128.413 -5.794 5.128 1.00 0.00 N ATOM 736 CA ASP A 45 129.803 -6.296 4.975 1.00 0.00 C ATOM 737 C ASP A 45 130.446 -5.603 3.774 1.00 0.00 C ATOM 738 O ASP A 45 131.653 -5.510 3.663 1.00 0.00 O ATOM 739 CB ASP A 45 129.662 -7.799 4.723 1.00 0.00 C ATOM 740 CG ASP A 45 131.017 -8.377 4.309 1.00 0.00 C ATOM 741 OD1 ASP A 45 131.762 -8.775 5.188 1.00 0.00 O ATOM 742 OD2 ASP A 45 131.284 -8.411 3.119 1.00 0.00 O ATOM 0 H ASP A 45 127.692 -6.513 5.193 1.00 0.00 H new ATOM 0 HA ASP A 45 130.427 -6.100 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 45 129.302 -8.297 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 45 128.924 -7.980 3.942 1.00 0.00 H new ATOM 747 N LEU A 46 129.636 -5.110 2.876 1.00 0.00 N ATOM 748 CA LEU A 46 130.176 -4.412 1.679 1.00 0.00 C ATOM 749 C LEU A 46 130.608 -2.993 2.051 1.00 0.00 C ATOM 750 O LEU A 46 131.625 -2.508 1.601 1.00 0.00 O ATOM 751 CB LEU A 46 129.019 -4.380 0.682 1.00 0.00 C ATOM 752 CG LEU A 46 128.996 -5.686 -0.113 1.00 0.00 C ATOM 753 CD1 LEU A 46 127.577 -5.953 -0.614 1.00 0.00 C ATOM 754 CD2 LEU A 46 129.945 -5.569 -1.307 1.00 0.00 C ATOM 0 H LEU A 46 128.618 -5.162 2.923 1.00 0.00 H new ATOM 0 HA LEU A 46 131.051 -4.913 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 46 128.074 -4.246 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 46 129.130 -3.532 0.006 1.00 0.00 H new ATOM 0 HG LEU A 46 129.315 -6.508 0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 46 127.560 -6.884 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 46 126.900 -6.034 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 46 127.257 -5.132 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 46 129.931 -6.499 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 46 129.625 -4.747 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 46 130.957 -5.378 -0.950 1.00 0.00 H new ATOM 766 N THR A 47 129.848 -2.323 2.873 1.00 0.00 N ATOM 767 CA THR A 47 130.237 -0.940 3.268 1.00 0.00 C ATOM 768 C THR A 47 131.697 -0.939 3.718 1.00 0.00 C ATOM 769 O THR A 47 132.463 -0.060 3.382 1.00 0.00 O ATOM 770 CB THR A 47 129.319 -0.562 4.433 1.00 0.00 C ATOM 771 OG1 THR A 47 129.507 -1.474 5.504 1.00 0.00 O ATOM 772 CG2 THR A 47 127.862 -0.602 3.973 1.00 0.00 C ATOM 0 H THR A 47 128.982 -2.670 3.285 1.00 0.00 H new ATOM 0 HA THR A 47 130.138 -0.232 2.445 1.00 0.00 H new ATOM 0 HB THR A 47 129.562 0.445 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 47 129.130 -2.345 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 47 127.210 -0.333 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 47 127.719 0.105 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 47 127.616 -1.607 3.630 1.00 0.00 H new ATOM 780 N TYR A 48 132.092 -1.930 4.469 1.00 0.00 N ATOM 781 CA TYR A 48 133.511 -1.985 4.925 1.00 0.00 C ATOM 782 C TYR A 48 134.435 -1.681 3.745 1.00 0.00 C ATOM 783 O TYR A 48 135.360 -0.900 3.847 1.00 0.00 O ATOM 784 CB TYR A 48 133.723 -3.418 5.412 1.00 0.00 C ATOM 785 CG TYR A 48 132.965 -3.631 6.699 1.00 0.00 C ATOM 786 CD1 TYR A 48 133.542 -3.264 7.920 1.00 0.00 C ATOM 787 CD2 TYR A 48 131.688 -4.199 6.671 1.00 0.00 C ATOM 788 CE1 TYR A 48 132.840 -3.467 9.114 1.00 0.00 C ATOM 789 CE2 TYR A 48 130.985 -4.402 7.864 1.00 0.00 C ATOM 790 CZ TYR A 48 131.561 -4.035 9.086 1.00 0.00 C ATOM 791 OH TYR A 48 130.871 -4.237 10.263 1.00 0.00 O ATOM 0 H TYR A 48 131.500 -2.698 4.785 1.00 0.00 H new ATOM 0 HA TYR A 48 133.726 -1.259 5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 48 133.381 -4.124 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 48 134.785 -3.607 5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 48 134.528 -2.824 7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 48 131.244 -4.481 5.728 1.00 0.00 H new ATOM 0 HE1 TYR A 48 133.285 -3.185 10.057 1.00 0.00 H new ATOM 0 HE2 TYR A 48 129.999 -4.842 7.842 1.00 0.00 H new ATOM 0 HH TYR A 48 130.073 -3.668 10.276 1.00 0.00 H new ATOM 801 N ASN A 49 134.181 -2.294 2.623 1.00 0.00 N ATOM 802 CA ASN A 49 135.030 -2.049 1.421 1.00 0.00 C ATOM 803 C ASN A 49 134.775 -0.654 0.868 1.00 0.00 C ATOM 804 O ASN A 49 133.943 -0.457 0.006 1.00 0.00 O ATOM 805 CB ASN A 49 134.616 -3.118 0.410 1.00 0.00 C ATOM 806 CG ASN A 49 135.509 -4.349 0.574 1.00 0.00 C ATOM 807 OD1 ASN A 49 136.627 -4.245 1.036 1.00 0.00 O ATOM 808 ND2 ASN A 49 135.060 -5.520 0.209 1.00 0.00 N ATOM 0 H ASN A 49 133.419 -2.957 2.485 1.00 0.00 H new ATOM 0 HA ASN A 49 136.094 -2.105 1.652 1.00 0.00 H new ATOM 0 HB2 ASN A 49 133.571 -3.391 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 49 134.700 -2.727 -0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 49 135.649 -6.347 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 49 134.121 -5.608 -0.179 1.00 0.00 H new ATOM 815 N VAL A 50 135.530 0.287 1.361 1.00 0.00 N ATOM 816 CA VAL A 50 135.453 1.711 0.914 1.00 0.00 C ATOM 817 C VAL A 50 134.595 1.887 -0.347 1.00 0.00 C ATOM 818 O VAL A 50 133.628 2.622 -0.347 1.00 0.00 O ATOM 819 CB VAL A 50 136.915 2.091 0.627 1.00 0.00 C ATOM 820 CG1 VAL A 50 137.568 2.584 1.918 1.00 0.00 C ATOM 821 CG2 VAL A 50 137.706 0.873 0.096 1.00 0.00 C ATOM 0 H VAL A 50 136.228 0.121 2.087 1.00 0.00 H new ATOM 0 HA VAL A 50 134.981 2.340 1.669 1.00 0.00 H new ATOM 0 HB VAL A 50 136.928 2.875 -0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 50 138.605 2.855 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 137.029 3.456 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 137.536 1.793 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 50 138.737 1.166 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 50 137.690 0.077 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 50 137.249 0.516 -0.827 1.00 0.00 H new ATOM 831 N VAL A 51 134.934 1.222 -1.416 1.00 0.00 N ATOM 832 CA VAL A 51 134.127 1.362 -2.662 1.00 0.00 C ATOM 833 C VAL A 51 132.712 0.856 -2.427 1.00 0.00 C ATOM 834 O VAL A 51 131.750 1.594 -2.497 1.00 0.00 O ATOM 835 CB VAL A 51 134.824 0.470 -3.698 1.00 0.00 C ATOM 836 CG1 VAL A 51 133.819 0.026 -4.780 1.00 0.00 C ATOM 837 CG2 VAL A 51 135.965 1.252 -4.351 1.00 0.00 C ATOM 0 H VAL A 51 135.732 0.590 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 51 134.060 2.400 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 51 135.220 -0.415 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 51 134.325 -0.606 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 51 133.008 -0.534 -4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 51 133.413 0.904 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 51 136.463 0.622 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 51 135.564 2.138 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 51 136.682 1.554 -3.588 1.00 0.00 H new ATOM 847 N ALA A 52 132.593 -0.418 -2.191 1.00 0.00 N ATOM 848 CA ALA A 52 131.256 -1.025 -1.994 1.00 0.00 C ATOM 849 C ALA A 52 130.348 -0.082 -1.202 1.00 0.00 C ATOM 850 O ALA A 52 129.188 0.088 -1.516 1.00 0.00 O ATOM 851 CB ALA A 52 131.517 -2.306 -1.207 1.00 0.00 C ATOM 0 H ALA A 52 133.375 -1.070 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 52 130.752 -1.221 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 52 130.572 -2.817 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA A 52 132.174 -2.958 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 52 131.991 -2.059 -0.257 1.00 0.00 H new ATOM 857 N PHE A 53 130.872 0.535 -0.180 1.00 0.00 N ATOM 858 CA PHE A 53 130.048 1.473 0.632 1.00 0.00 C ATOM 859 C PHE A 53 129.523 2.608 -0.253 1.00 0.00 C ATOM 860 O PHE A 53 128.338 2.871 -0.303 1.00 0.00 O ATOM 861 CB PHE A 53 131.008 2.010 1.692 1.00 0.00 C ATOM 862 CG PHE A 53 130.435 3.261 2.304 1.00 0.00 C ATOM 863 CD1 PHE A 53 129.165 3.234 2.886 1.00 0.00 C ATOM 864 CD2 PHE A 53 131.175 4.445 2.286 1.00 0.00 C ATOM 865 CE1 PHE A 53 128.633 4.395 3.454 1.00 0.00 C ATOM 866 CE2 PHE A 53 130.645 5.609 2.855 1.00 0.00 C ATOM 867 CZ PHE A 53 129.372 5.585 3.438 1.00 0.00 C ATOM 0 H PHE A 53 131.838 0.430 0.129 1.00 0.00 H new ATOM 0 HA PHE A 53 129.177 0.993 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 53 131.172 1.258 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 53 131.978 2.224 1.244 1.00 0.00 H new ATOM 0 HD1 PHE A 53 128.595 2.317 2.897 1.00 0.00 H new ATOM 0 HD2 PHE A 53 132.155 4.463 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 53 127.652 4.375 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 53 131.217 6.525 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 53 128.960 6.483 3.875 1.00 0.00 H new ATOM 877 N SER A 54 130.396 3.281 -0.950 1.00 0.00 N ATOM 878 CA SER A 54 129.945 4.396 -1.831 1.00 0.00 C ATOM 879 C SER A 54 128.898 3.881 -2.822 1.00 0.00 C ATOM 880 O SER A 54 128.016 4.605 -3.242 1.00 0.00 O ATOM 881 CB SER A 54 131.205 4.856 -2.563 1.00 0.00 C ATOM 882 OG SER A 54 130.936 4.946 -3.957 1.00 0.00 O ATOM 0 H SER A 54 131.401 3.108 -0.948 1.00 0.00 H new ATOM 0 HA SER A 54 129.484 5.211 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 54 131.528 5.824 -2.181 1.00 0.00 H new ATOM 0 HB3 SER A 54 132.020 4.155 -2.383 1.00 0.00 H new ATOM 0 HG SER A 54 131.743 5.243 -4.427 1.00 0.00 H new ATOM 888 N GLU A 55 128.988 2.634 -3.197 1.00 0.00 N ATOM 889 CA GLU A 55 127.999 2.068 -4.156 1.00 0.00 C ATOM 890 C GLU A 55 126.700 1.710 -3.426 1.00 0.00 C ATOM 891 O GLU A 55 125.636 1.677 -4.010 1.00 0.00 O ATOM 892 CB GLU A 55 128.666 0.807 -4.712 1.00 0.00 C ATOM 893 CG GLU A 55 130.113 1.120 -5.105 1.00 0.00 C ATOM 894 CD GLU A 55 130.333 0.744 -6.571 1.00 0.00 C ATOM 895 OE1 GLU A 55 130.020 1.557 -7.425 1.00 0.00 O ATOM 896 OE2 GLU A 55 130.812 -0.351 -6.816 1.00 0.00 O ATOM 0 H GLU A 55 129.705 1.982 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 55 127.737 2.773 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 55 128.645 0.013 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 128.114 0.444 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 55 130.322 2.179 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 55 130.803 0.566 -4.468 1.00 0.00 H new ATOM 903 N ILE A 56 126.783 1.442 -2.151 1.00 0.00 N ATOM 904 CA ILE A 56 125.560 1.085 -1.378 1.00 0.00 C ATOM 905 C ILE A 56 124.747 2.343 -1.060 1.00 0.00 C ATOM 906 O ILE A 56 123.681 2.555 -1.601 1.00 0.00 O ATOM 907 CB ILE A 56 126.083 0.442 -0.092 1.00 0.00 C ATOM 908 CG1 ILE A 56 126.557 -0.981 -0.394 1.00 0.00 C ATOM 909 CG2 ILE A 56 124.964 0.394 0.950 1.00 0.00 C ATOM 910 CD1 ILE A 56 127.788 -1.300 0.458 1.00 0.00 C ATOM 0 H ILE A 56 127.648 1.455 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 56 124.901 0.416 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 56 126.914 1.031 0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 56 125.760 -1.694 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 56 126.799 -1.078 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 125.339 -0.064 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 56 124.623 1.407 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 56 124.132 -0.195 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 56 128.126 -2.314 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 56 128.585 -0.594 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 56 127.530 -1.219 1.514 1.00 0.00 H new ATOM 922 N MET A 57 125.243 3.181 -0.192 1.00 0.00 N ATOM 923 CA MET A 57 124.497 4.425 0.151 1.00 0.00 C ATOM 924 C MET A 57 124.034 5.124 -1.128 1.00 0.00 C ATOM 925 O MET A 57 122.963 5.693 -1.181 1.00 0.00 O ATOM 926 CB MET A 57 125.501 5.298 0.904 1.00 0.00 C ATOM 927 CG MET A 57 125.736 4.719 2.300 1.00 0.00 C ATOM 928 SD MET A 57 124.179 4.720 3.223 1.00 0.00 S ATOM 929 CE MET A 57 123.938 6.513 3.257 1.00 0.00 C ATOM 0 H MET A 57 126.131 3.059 0.294 1.00 0.00 H new ATOM 0 HA MET A 57 123.608 4.224 0.748 1.00 0.00 H new ATOM 0 HB2 MET A 57 126.442 5.345 0.355 1.00 0.00 H new ATOM 0 HB3 MET A 57 125.126 6.319 0.981 1.00 0.00 H new ATOM 0 HG2 MET A 57 126.125 3.704 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 57 126.485 5.309 2.829 1.00 0.00 H new ATOM 0 HE1 MET A 57 123.888 6.854 4.291 1.00 0.00 H new ATOM 0 HE2 MET A 57 124.772 7.002 2.754 1.00 0.00 H new ATOM 0 HE3 MET A 57 123.008 6.765 2.747 1.00 0.00 H new ATOM 939 N SER A 58 124.832 5.081 -2.159 1.00 0.00 N ATOM 940 CA SER A 58 124.434 5.738 -3.436 1.00 0.00 C ATOM 941 C SER A 58 123.076 5.206 -3.896 1.00 0.00 C ATOM 942 O SER A 58 122.118 5.944 -4.018 1.00 0.00 O ATOM 943 CB SER A 58 125.528 5.359 -4.434 1.00 0.00 C ATOM 944 OG SER A 58 125.001 5.418 -5.753 1.00 0.00 O ATOM 0 H SER A 58 125.742 4.620 -2.173 1.00 0.00 H new ATOM 0 HA SER A 58 124.335 6.819 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 58 126.375 6.038 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 58 125.898 4.356 -4.222 1.00 0.00 H new ATOM 0 HG SER A 58 125.700 5.177 -6.396 1.00 0.00 H new ATOM 950 N MET A 59 122.980 3.927 -4.143 1.00 0.00 N ATOM 951 CA MET A 59 121.677 3.355 -4.584 1.00 0.00 C ATOM 952 C MET A 59 120.617 3.599 -3.509 1.00 0.00 C ATOM 953 O MET A 59 119.436 3.663 -3.787 1.00 0.00 O ATOM 954 CB MET A 59 121.937 1.859 -4.757 1.00 0.00 C ATOM 955 CG MET A 59 122.293 1.569 -6.217 1.00 0.00 C ATOM 956 SD MET A 59 120.834 0.936 -7.081 1.00 0.00 S ATOM 957 CE MET A 59 120.697 2.265 -8.301 1.00 0.00 C ATOM 0 H MET A 59 123.744 3.257 -4.059 1.00 0.00 H new ATOM 0 HA MET A 59 121.311 3.808 -5.505 1.00 0.00 H new ATOM 0 HB2 MET A 59 122.750 1.542 -4.103 1.00 0.00 H new ATOM 0 HB3 MET A 59 121.054 1.290 -4.467 1.00 0.00 H new ATOM 0 HG2 MET A 59 122.650 2.477 -6.702 1.00 0.00 H new ATOM 0 HG3 MET A 59 123.103 0.841 -6.267 1.00 0.00 H new ATOM 0 HE1 MET A 59 119.844 2.074 -8.953 1.00 0.00 H new ATOM 0 HE2 MET A 59 120.556 3.216 -7.788 1.00 0.00 H new ATOM 0 HE3 MET A 59 121.608 2.306 -8.898 1.00 0.00 H new ATOM 967 N ILE A 60 121.035 3.744 -2.281 1.00 0.00 N ATOM 968 CA ILE A 60 120.060 3.993 -1.180 1.00 0.00 C ATOM 969 C ILE A 60 119.492 5.412 -1.310 1.00 0.00 C ATOM 970 O ILE A 60 118.370 5.679 -0.929 1.00 0.00 O ATOM 971 CB ILE A 60 120.878 3.812 0.111 1.00 0.00 C ATOM 972 CG1 ILE A 60 120.669 2.389 0.639 1.00 0.00 C ATOM 973 CG2 ILE A 60 120.432 4.812 1.183 1.00 0.00 C ATOM 974 CD1 ILE A 60 122.017 1.778 1.029 1.00 0.00 C ATOM 0 H ILE A 60 122.012 3.701 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 60 119.203 3.320 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 60 121.930 3.986 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 60 120.003 2.406 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 120.188 1.776 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 60 121.024 4.665 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 60 120.577 5.828 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 60 119.378 4.655 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 60 121.863 0.766 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 60 122.668 1.746 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 60 122.481 2.386 1.806 1.00 0.00 H new ATOM 986 N TRP A 61 120.257 6.320 -1.850 1.00 0.00 N ATOM 987 CA TRP A 61 119.760 7.717 -2.011 1.00 0.00 C ATOM 988 C TRP A 61 118.820 7.802 -3.218 1.00 0.00 C ATOM 989 O TRP A 61 117.798 8.457 -3.175 1.00 0.00 O ATOM 990 CB TRP A 61 121.013 8.559 -2.246 1.00 0.00 C ATOM 991 CG TRP A 61 121.814 8.626 -0.986 1.00 0.00 C ATOM 992 CD1 TRP A 61 123.143 8.385 -0.896 1.00 0.00 C ATOM 993 CD2 TRP A 61 121.366 8.952 0.362 1.00 0.00 C ATOM 994 NE1 TRP A 61 123.538 8.541 0.420 1.00 0.00 N ATOM 995 CE2 TRP A 61 122.479 8.890 1.234 1.00 0.00 C ATOM 996 CE3 TRP A 61 120.115 9.292 0.908 1.00 0.00 C ATOM 997 CZ2 TRP A 61 122.355 9.156 2.598 1.00 0.00 C ATOM 998 CZ3 TRP A 61 119.987 9.560 2.282 1.00 0.00 C ATOM 999 CH2 TRP A 61 121.105 9.492 3.124 1.00 0.00 C ATOM 0 H TRP A 61 121.206 6.156 -2.187 1.00 0.00 H new ATOM 0 HA TRP A 61 119.198 8.061 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 61 121.611 8.124 -3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 61 120.734 9.563 -2.566 1.00 0.00 H new ATOM 0 HD1 TRP A 61 123.789 8.115 -1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 61 124.495 8.414 0.749 1.00 0.00 H new ATOM 0 HE3 TRP A 61 119.247 9.348 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 123.220 9.103 3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 119.022 9.820 2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 61 121.001 9.699 4.179 1.00 0.00 H new ATOM 1010 N LYS A 62 119.158 7.141 -4.292 1.00 0.00 N ATOM 1011 CA LYS A 62 118.282 7.181 -5.498 1.00 0.00 C ATOM 1012 C LYS A 62 116.849 6.801 -5.116 1.00 0.00 C ATOM 1013 O LYS A 62 115.909 7.516 -5.400 1.00 0.00 O ATOM 1014 CB LYS A 62 118.876 6.145 -6.454 1.00 0.00 C ATOM 1015 CG LYS A 62 118.834 6.683 -7.885 1.00 0.00 C ATOM 1016 CD LYS A 62 119.679 7.955 -7.976 1.00 0.00 C ATOM 1017 CE LYS A 62 118.806 9.116 -8.457 1.00 0.00 C ATOM 1018 NZ LYS A 62 119.462 10.338 -7.915 1.00 0.00 N ATOM 0 H LYS A 62 120.002 6.576 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 62 118.241 8.172 -5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 62 119.904 5.920 -6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 62 118.316 5.212 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 62 119.212 5.932 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 62 117.805 6.896 -8.175 1.00 0.00 H new ATOM 0 HD2 LYS A 62 120.109 8.189 -7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 120.511 7.803 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 62 118.753 9.146 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 62 117.784 9.020 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 118.921 11.179 -8.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 119.493 10.284 -6.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 120.431 10.406 -8.287 1.00 0.00 H new ATOM 1032 N ARG A 63 116.679 5.679 -4.472 1.00 0.00 N ATOM 1033 CA ARG A 63 115.311 5.251 -4.065 1.00 0.00 C ATOM 1034 C ARG A 63 114.789 6.159 -2.949 1.00 0.00 C ATOM 1035 O ARG A 63 113.610 6.440 -2.861 1.00 0.00 O ATOM 1036 CB ARG A 63 115.483 3.819 -3.556 1.00 0.00 C ATOM 1037 CG ARG A 63 116.138 2.964 -4.642 1.00 0.00 C ATOM 1038 CD ARG A 63 115.169 2.793 -5.815 1.00 0.00 C ATOM 1039 NE ARG A 63 116.013 2.939 -7.034 1.00 0.00 N ATOM 1040 CZ ARG A 63 115.627 2.410 -8.164 1.00 0.00 C ATOM 1041 NH1 ARG A 63 115.901 1.162 -8.426 1.00 0.00 N ATOM 1042 NH2 ARG A 63 114.968 3.130 -9.030 1.00 0.00 N ATOM 0 H ARG A 63 117.429 5.040 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 63 114.595 5.309 -4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 63 116.097 3.814 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 63 114.514 3.400 -3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 63 117.059 3.436 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 63 116.410 1.989 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 63 114.682 1.818 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 63 114.380 3.545 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 63 116.893 3.453 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG A 63 116.416 0.600 -7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 63 115.600 0.748 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 63 114.754 4.106 -8.824 1.00 0.00 H new ATOM 0 HH22 ARG A 63 114.667 2.717 -9.913 1.00 0.00 H new ATOM 1056 N LEU A 64 115.664 6.619 -2.097 1.00 0.00 N ATOM 1057 CA LEU A 64 115.230 7.511 -0.982 1.00 0.00 C ATOM 1058 C LEU A 64 114.696 8.832 -1.535 1.00 0.00 C ATOM 1059 O LEU A 64 114.136 9.636 -0.817 1.00 0.00 O ATOM 1060 CB LEU A 64 116.491 7.754 -0.160 1.00 0.00 C ATOM 1061 CG LEU A 64 116.620 6.666 0.907 1.00 0.00 C ATOM 1062 CD1 LEU A 64 117.851 6.941 1.773 1.00 0.00 C ATOM 1063 CD2 LEU A 64 115.367 6.666 1.784 1.00 0.00 C ATOM 0 H LEU A 64 116.663 6.416 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 64 114.430 7.068 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 64 117.367 7.749 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 116.448 8.736 0.310 1.00 0.00 H new ATOM 0 HG LEU A 64 116.728 5.694 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.942 6.165 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.743 6.942 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.746 7.912 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.456 5.891 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.260 7.638 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.491 6.469 1.167 1.00 0.00 H new ATOM 1075 N ASN A 65 114.867 9.063 -2.805 1.00 0.00 N ATOM 1076 CA ASN A 65 114.372 10.333 -3.402 1.00 0.00 C ATOM 1077 C ASN A 65 112.918 10.174 -3.848 1.00 0.00 C ATOM 1078 O ASN A 65 112.481 10.784 -4.802 1.00 0.00 O ATOM 1079 CB ASN A 65 115.282 10.592 -4.603 1.00 0.00 C ATOM 1080 CG ASN A 65 116.204 11.775 -4.299 1.00 0.00 C ATOM 1081 OD1 ASN A 65 116.495 12.052 -3.152 1.00 0.00 O ATOM 1082 ND2 ASN A 65 116.677 12.487 -5.284 1.00 0.00 N ATOM 0 H ASN A 65 115.328 8.427 -3.456 1.00 0.00 H new ATOM 0 HA ASN A 65 114.396 11.160 -2.692 1.00 0.00 H new ATOM 0 HB2 ASN A 65 115.874 9.703 -4.823 1.00 0.00 H new ATOM 0 HB3 ASN A 65 114.682 10.803 -5.488 1.00 0.00 H new ATOM 0 HD21 ASN A 65 117.292 13.278 -5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 65 116.432 12.253 -6.246 1.00 0.00 H new ATOM 1161 N TRP A 71 106.688 4.947 -3.817 1.00 0.00 N ATOM 1162 CA TRP A 71 107.336 5.250 -2.510 1.00 0.00 C ATOM 1163 C TRP A 71 107.812 3.954 -1.847 1.00 0.00 C ATOM 1164 O TRP A 71 108.571 3.974 -0.899 1.00 0.00 O ATOM 1165 CB TRP A 71 106.241 5.909 -1.670 1.00 0.00 C ATOM 1166 CG TRP A 71 105.149 4.921 -1.413 1.00 0.00 C ATOM 1167 CD1 TRP A 71 103.950 4.908 -2.038 1.00 0.00 C ATOM 1168 CD2 TRP A 71 105.136 3.804 -0.478 1.00 0.00 C ATOM 1169 NE1 TRP A 71 103.200 3.855 -1.544 1.00 0.00 N ATOM 1170 CE2 TRP A 71 103.888 3.145 -0.582 1.00 0.00 C ATOM 1171 CE3 TRP A 71 106.076 3.304 0.440 1.00 0.00 C ATOM 1172 CZ2 TRP A 71 103.584 2.029 0.199 1.00 0.00 C ATOM 1173 CZ3 TRP A 71 105.774 2.180 1.227 1.00 0.00 C ATOM 1174 CH2 TRP A 71 104.530 1.545 1.108 1.00 0.00 C ATOM 0 HA TRP A 71 108.209 5.893 -2.619 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.655 6.263 -0.726 1.00 0.00 H new ATOM 0 HB3 TRP A 71 105.843 6.780 -2.190 1.00 0.00 H new ATOM 0 HD1 TRP A 71 103.630 5.605 -2.798 1.00 0.00 H new ATOM 0 HE1 TRP A 71 102.254 3.631 -1.853 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.037 3.787 0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 102.625 1.543 0.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 106.504 1.803 1.928 1.00 0.00 H new ATOM 0 HH2 TRP A 71 104.302 0.683 1.718 1.00 0.00 H new ATOM 1185 N ARG A 72 107.370 2.830 -2.340 1.00 0.00 N ATOM 1186 CA ARG A 72 107.796 1.533 -1.739 1.00 0.00 C ATOM 1187 C ARG A 72 109.322 1.464 -1.653 1.00 0.00 C ATOM 1188 O ARG A 72 109.877 0.981 -0.686 1.00 0.00 O ATOM 1189 CB ARG A 72 107.265 0.462 -2.693 1.00 0.00 C ATOM 1190 CG ARG A 72 105.792 0.185 -2.383 1.00 0.00 C ATOM 1191 CD ARG A 72 105.287 -0.946 -3.281 1.00 0.00 C ATOM 1192 NE ARG A 72 104.099 -0.379 -3.979 1.00 0.00 N ATOM 1193 CZ ARG A 72 103.261 -1.171 -4.593 1.00 0.00 C ATOM 1194 NH1 ARG A 72 103.525 -2.445 -4.708 1.00 0.00 N ATOM 1195 NH2 ARG A 72 102.156 -0.687 -5.093 1.00 0.00 N ATOM 0 H ARG A 72 106.733 2.753 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 72 107.415 1.403 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 72 107.374 0.794 -3.726 1.00 0.00 H new ATOM 0 HB3 ARG A 72 107.848 -0.453 -2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 72 105.675 -0.089 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 72 105.199 1.085 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 72 106.052 -1.257 -3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.019 -1.826 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 72 103.940 0.629 -3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 72 104.388 -2.824 -4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 72 102.868 -3.061 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 72 101.949 0.308 -5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 72 101.500 -1.304 -5.573 1.00 0.00 H new ATOM 1209 N HIS A 73 110.006 1.945 -2.655 1.00 0.00 N ATOM 1210 CA HIS A 73 111.498 1.904 -2.625 1.00 0.00 C ATOM 1211 C HIS A 73 112.024 2.731 -1.448 1.00 0.00 C ATOM 1212 O HIS A 73 112.998 2.375 -0.815 1.00 0.00 O ATOM 1213 CB HIS A 73 111.939 2.516 -3.955 1.00 0.00 C ATOM 1214 CG HIS A 73 111.430 1.671 -5.090 1.00 0.00 C ATOM 1215 ND1 HIS A 73 110.956 0.382 -4.898 1.00 0.00 N ATOM 1216 CD2 HIS A 73 111.315 1.916 -6.436 1.00 0.00 C ATOM 1217 CE1 HIS A 73 110.583 -0.096 -6.099 1.00 0.00 C ATOM 1218 NE2 HIS A 73 110.780 0.800 -7.071 1.00 0.00 N ATOM 0 H HIS A 73 109.599 2.364 -3.491 1.00 0.00 H new ATOM 0 HA HIS A 73 111.882 0.892 -2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 73 111.556 3.533 -4.044 1.00 0.00 H new ATOM 0 HB3 HIS A 73 113.026 2.580 -3.995 1.00 0.00 H new ATOM 0 HD2 HIS A 73 111.597 2.836 -6.927 1.00 0.00 H new ATOM 0 HE1 HIS A 73 110.174 -1.083 -6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 73 110.581 0.689 -8.065 1.00 0.00 H new ATOM 1226 N VAL A 74 111.385 3.829 -1.149 1.00 0.00 N ATOM 1227 CA VAL A 74 111.846 4.677 -0.010 1.00 0.00 C ATOM 1228 C VAL A 74 111.830 3.868 1.289 1.00 0.00 C ATOM 1229 O VAL A 74 112.820 3.774 1.986 1.00 0.00 O ATOM 1230 CB VAL A 74 110.836 5.822 0.063 1.00 0.00 C ATOM 1231 CG1 VAL A 74 110.959 6.525 1.416 1.00 0.00 C ATOM 1232 CG2 VAL A 74 111.119 6.823 -1.060 1.00 0.00 C ATOM 0 H VAL A 74 110.563 4.177 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 74 112.865 5.038 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 74 109.827 5.425 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 74 110.239 7.342 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 74 110.758 5.812 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 74 111.968 6.923 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 74 110.399 7.640 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 74 112.128 7.220 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 74 111.032 6.322 -2.024 1.00 0.00 H new ATOM 1242 N TYR A 75 110.711 3.284 1.622 1.00 0.00 N ATOM 1243 CA TYR A 75 110.632 2.484 2.877 1.00 0.00 C ATOM 1244 C TYR A 75 111.798 1.494 2.941 1.00 0.00 C ATOM 1245 O TYR A 75 112.569 1.489 3.880 1.00 0.00 O ATOM 1246 CB TYR A 75 109.300 1.740 2.791 1.00 0.00 C ATOM 1247 CG TYR A 75 108.990 1.111 4.127 1.00 0.00 C ATOM 1248 CD1 TYR A 75 108.958 1.901 5.282 1.00 0.00 C ATOM 1249 CD2 TYR A 75 108.733 -0.263 4.210 1.00 0.00 C ATOM 1250 CE1 TYR A 75 108.670 1.317 6.522 1.00 0.00 C ATOM 1251 CE2 TYR A 75 108.445 -0.847 5.449 1.00 0.00 C ATOM 1252 CZ TYR A 75 108.413 -0.057 6.605 1.00 0.00 C ATOM 1253 OH TYR A 75 108.129 -0.633 7.826 1.00 0.00 O ATOM 0 H TYR A 75 109.848 3.326 1.079 1.00 0.00 H new ATOM 0 HA TYR A 75 110.691 3.106 3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 75 108.504 2.428 2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 75 109.349 0.973 2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 75 109.155 2.961 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 75 108.757 -0.872 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 75 108.646 1.926 7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 75 108.247 -1.907 5.514 1.00 0.00 H new ATOM 0 HH TYR A 75 107.975 -1.593 7.707 1.00 0.00 H new ATOM 1263 N LYS A 76 111.933 0.660 1.948 1.00 0.00 N ATOM 1264 CA LYS A 76 113.050 -0.326 1.953 1.00 0.00 C ATOM 1265 C LYS A 76 114.395 0.405 2.004 1.00 0.00 C ATOM 1266 O LYS A 76 115.383 -0.126 2.470 1.00 0.00 O ATOM 1267 CB LYS A 76 112.907 -1.092 0.639 1.00 0.00 C ATOM 1268 CG LYS A 76 112.248 -2.448 0.906 1.00 0.00 C ATOM 1269 CD LYS A 76 110.859 -2.478 0.268 1.00 0.00 C ATOM 1270 CE LYS A 76 110.666 -3.800 -0.477 1.00 0.00 C ATOM 1271 NZ LYS A 76 109.557 -3.545 -1.438 1.00 0.00 N ATOM 0 H LYS A 76 111.319 0.618 1.134 1.00 0.00 H new ATOM 0 HA LYS A 76 113.014 -0.990 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 76 112.307 -0.517 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 76 113.886 -1.235 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.864 -3.250 0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 76 112.170 -2.621 1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 76 110.093 -2.366 1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 76 110.746 -1.641 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 76 111.577 -4.097 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 76 110.414 -4.607 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 109.367 -4.408 -1.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 108.701 -3.271 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 109.828 -2.777 -2.085 1.00 0.00 H new ATOM 1285 N ALA A 77 114.438 1.620 1.529 1.00 0.00 N ATOM 1286 CA ALA A 77 115.718 2.382 1.551 1.00 0.00 C ATOM 1287 C ALA A 77 116.042 2.822 2.981 1.00 0.00 C ATOM 1288 O ALA A 77 117.188 2.998 3.344 1.00 0.00 O ATOM 1289 CB ALA A 77 115.472 3.596 0.655 1.00 0.00 C ATOM 0 H ALA A 77 113.643 2.117 1.127 1.00 0.00 H new ATOM 0 HA ALA A 77 116.562 1.787 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 77 116.372 4.210 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 77 115.221 3.261 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 77 114.647 4.184 1.058 1.00 0.00 H new ATOM 1295 N MET A 78 115.039 2.996 3.795 1.00 0.00 N ATOM 1296 CA MET A 78 115.285 3.419 5.204 1.00 0.00 C ATOM 1297 C MET A 78 115.825 2.241 6.017 1.00 0.00 C ATOM 1298 O MET A 78 116.616 2.411 6.923 1.00 0.00 O ATOM 1299 CB MET A 78 113.917 3.850 5.732 1.00 0.00 C ATOM 1300 CG MET A 78 113.771 5.366 5.594 1.00 0.00 C ATOM 1301 SD MET A 78 112.960 5.752 4.024 1.00 0.00 S ATOM 1302 CE MET A 78 111.257 5.708 4.634 1.00 0.00 C ATOM 0 H MET A 78 114.059 2.864 3.547 1.00 0.00 H new ATOM 0 HA MET A 78 116.020 4.221 5.274 1.00 0.00 H new ATOM 0 HB2 MET A 78 113.126 3.346 5.177 1.00 0.00 H new ATOM 0 HB3 MET A 78 113.810 3.557 6.776 1.00 0.00 H new ATOM 0 HG2 MET A 78 113.187 5.763 6.425 1.00 0.00 H new ATOM 0 HG3 MET A 78 114.751 5.842 5.636 1.00 0.00 H new ATOM 0 HE1 MET A 78 110.697 4.943 4.096 1.00 0.00 H new ATOM 0 HE2 MET A 78 111.258 5.475 5.699 1.00 0.00 H new ATOM 0 HE3 MET A 78 110.788 6.679 4.475 1.00 0.00 H new ATOM 1312 N THR A 79 115.402 1.049 5.699 1.00 0.00 N ATOM 1313 CA THR A 79 115.890 -0.139 6.458 1.00 0.00 C ATOM 1314 C THR A 79 117.327 -0.471 6.056 1.00 0.00 C ATOM 1315 O THR A 79 118.084 -1.016 6.832 1.00 0.00 O ATOM 1316 CB THR A 79 114.941 -1.275 6.074 1.00 0.00 C ATOM 1317 OG1 THR A 79 113.647 -1.002 6.591 1.00 0.00 O ATOM 1318 CG2 THR A 79 115.457 -2.593 6.656 1.00 0.00 C ATOM 0 H THR A 79 114.742 0.845 4.949 1.00 0.00 H new ATOM 0 HA THR A 79 115.898 0.033 7.534 1.00 0.00 H new ATOM 0 HB THR A 79 114.890 -1.356 4.988 1.00 0.00 H new ATOM 0 HG1 THR A 79 113.036 -1.728 6.345 1.00 0.00 H new ATOM 0 HG21 THR A 79 114.780 -3.402 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 79 116.451 -2.802 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 79 115.509 -2.516 7.742 1.00 0.00 H new ATOM 1326 N LEU A 80 117.714 -0.141 4.855 1.00 0.00 N ATOM 1327 CA LEU A 80 119.110 -0.435 4.427 1.00 0.00 C ATOM 1328 C LEU A 80 120.060 0.576 5.067 1.00 0.00 C ATOM 1329 O LEU A 80 121.017 0.214 5.717 1.00 0.00 O ATOM 1330 CB LEU A 80 119.113 -0.288 2.907 1.00 0.00 C ATOM 1331 CG LEU A 80 120.438 -0.816 2.356 1.00 0.00 C ATOM 1332 CD1 LEU A 80 120.687 -2.229 2.889 1.00 0.00 C ATOM 1333 CD2 LEU A 80 120.380 -0.852 0.828 1.00 0.00 C ATOM 0 H LEU A 80 117.129 0.316 4.156 1.00 0.00 H new ATOM 0 HA LEU A 80 119.437 -1.430 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 118.279 -0.840 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 118.981 0.758 2.630 1.00 0.00 H new ATOM 0 HG LEU A 80 121.248 -0.159 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 80 121.632 -2.605 2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 80 120.731 -2.205 3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 80 119.876 -2.885 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 80 121.325 -1.229 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 80 119.569 -1.507 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 80 120.205 0.154 0.447 1.00 0.00 H new ATOM 1345 N MET A 81 119.798 1.842 4.900 1.00 0.00 N ATOM 1346 CA MET A 81 120.688 2.866 5.514 1.00 0.00 C ATOM 1347 C MET A 81 120.680 2.711 7.038 1.00 0.00 C ATOM 1348 O MET A 81 121.577 3.158 7.722 1.00 0.00 O ATOM 1349 CB MET A 81 120.095 4.214 5.101 1.00 0.00 C ATOM 1350 CG MET A 81 120.799 5.337 5.866 1.00 0.00 C ATOM 1351 SD MET A 81 120.985 6.777 4.787 1.00 0.00 S ATOM 1352 CE MET A 81 119.247 6.930 4.310 1.00 0.00 C ATOM 0 H MET A 81 119.010 2.211 4.368 1.00 0.00 H new ATOM 0 HA MET A 81 121.723 2.769 5.187 1.00 0.00 H new ATOM 0 HB2 MET A 81 120.213 4.362 4.027 1.00 0.00 H new ATOM 0 HB3 MET A 81 119.025 4.232 5.310 1.00 0.00 H new ATOM 0 HG2 MET A 81 120.223 5.605 6.752 1.00 0.00 H new ATOM 0 HG3 MET A 81 121.776 4.999 6.211 1.00 0.00 H new ATOM 0 HE1 MET A 81 119.090 7.886 3.810 1.00 0.00 H new ATOM 0 HE2 MET A 81 118.983 6.118 3.632 1.00 0.00 H new ATOM 0 HE3 MET A 81 118.620 6.879 5.200 1.00 0.00 H new ATOM 1362 N GLU A 82 119.670 2.076 7.576 1.00 0.00 N ATOM 1363 CA GLU A 82 119.607 1.892 9.052 1.00 0.00 C ATOM 1364 C GLU A 82 120.333 0.607 9.460 1.00 0.00 C ATOM 1365 O GLU A 82 120.926 0.524 10.517 1.00 0.00 O ATOM 1366 CB GLU A 82 118.117 1.780 9.371 1.00 0.00 C ATOM 1367 CG GLU A 82 117.916 1.795 10.887 1.00 0.00 C ATOM 1368 CD GLU A 82 118.013 0.368 11.429 1.00 0.00 C ATOM 1369 OE1 GLU A 82 117.535 -0.533 10.760 1.00 0.00 O ATOM 1370 OE2 GLU A 82 118.564 0.201 12.505 1.00 0.00 O ATOM 0 H GLU A 82 118.888 1.678 7.055 1.00 0.00 H new ATOM 0 HA GLU A 82 120.084 2.712 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 82 117.573 2.607 8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 82 117.712 0.860 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 82 118.669 2.426 11.358 1.00 0.00 H new ATOM 0 HG3 GLU A 82 116.944 2.223 11.131 1.00 0.00 H new ATOM 1377 N TYR A 83 120.286 -0.398 8.629 1.00 0.00 N ATOM 1378 CA TYR A 83 120.964 -1.680 8.963 1.00 0.00 C ATOM 1379 C TYR A 83 122.464 -1.582 8.678 1.00 0.00 C ATOM 1380 O TYR A 83 123.259 -2.325 9.218 1.00 0.00 O ATOM 1381 CB TYR A 83 120.313 -2.713 8.046 1.00 0.00 C ATOM 1382 CG TYR A 83 121.003 -4.041 8.222 1.00 0.00 C ATOM 1383 CD1 TYR A 83 122.275 -4.246 7.676 1.00 0.00 C ATOM 1384 CD2 TYR A 83 120.371 -5.067 8.932 1.00 0.00 C ATOM 1385 CE1 TYR A 83 122.916 -5.479 7.841 1.00 0.00 C ATOM 1386 CE2 TYR A 83 121.010 -6.300 9.098 1.00 0.00 C ATOM 1387 CZ TYR A 83 122.283 -6.507 8.552 1.00 0.00 C ATOM 1388 OH TYR A 83 122.914 -7.724 8.716 1.00 0.00 O ATOM 0 H TYR A 83 119.805 -0.385 7.730 1.00 0.00 H new ATOM 0 HA TYR A 83 120.861 -1.939 10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 83 119.253 -2.807 8.281 1.00 0.00 H new ATOM 0 HB3 TYR A 83 120.382 -2.389 7.008 1.00 0.00 H new ATOM 0 HD1 TYR A 83 122.762 -3.453 7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 83 119.389 -4.907 9.352 1.00 0.00 H new ATOM 0 HE1 TYR A 83 123.898 -5.638 7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 83 120.522 -7.092 9.647 1.00 0.00 H new ATOM 0 HH TYR A 83 122.338 -8.324 9.234 1.00 0.00 H new ATOM 1398 N LEU A 84 122.856 -0.672 7.832 1.00 0.00 N ATOM 1399 CA LEU A 84 124.303 -0.529 7.510 1.00 0.00 C ATOM 1400 C LEU A 84 124.966 0.440 8.494 1.00 0.00 C ATOM 1401 O LEU A 84 126.109 0.274 8.870 1.00 0.00 O ATOM 1402 CB LEU A 84 124.336 0.025 6.084 1.00 0.00 C ATOM 1403 CG LEU A 84 123.581 -0.926 5.151 1.00 0.00 C ATOM 1404 CD1 LEU A 84 123.447 -0.291 3.764 1.00 0.00 C ATOM 1405 CD2 LEU A 84 124.350 -2.245 5.035 1.00 0.00 C ATOM 0 H LEU A 84 122.237 -0.021 7.349 1.00 0.00 H new ATOM 0 HA LEU A 84 124.845 -1.471 7.587 1.00 0.00 H new ATOM 0 HB2 LEU A 84 123.882 1.016 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 84 125.367 0.138 5.750 1.00 0.00 H new ATOM 0 HG LEU A 84 122.588 -1.117 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 84 122.909 -0.971 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.898 0.647 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 84 124.439 -0.097 3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.813 -2.922 4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 125.344 -2.052 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 84 124.442 -2.701 6.021 1.00 0.00 H new ATOM 1417 N ILE A 85 124.256 1.448 8.922 1.00 0.00 N ATOM 1418 CA ILE A 85 124.850 2.419 9.885 1.00 0.00 C ATOM 1419 C ILE A 85 125.334 1.683 11.139 1.00 0.00 C ATOM 1420 O ILE A 85 126.190 2.158 11.858 1.00 0.00 O ATOM 1421 CB ILE A 85 123.714 3.382 10.233 1.00 0.00 C ATOM 1422 CG1 ILE A 85 123.521 4.379 9.089 1.00 0.00 C ATOM 1423 CG2 ILE A 85 124.059 4.145 11.513 1.00 0.00 C ATOM 1424 CD1 ILE A 85 122.192 5.115 9.275 1.00 0.00 C ATOM 0 H ILE A 85 123.293 1.641 8.648 1.00 0.00 H new ATOM 0 HA ILE A 85 125.711 2.942 9.468 1.00 0.00 H new ATOM 0 HB ILE A 85 122.796 2.814 10.384 1.00 0.00 H new ATOM 0 HG12 ILE A 85 124.345 5.092 9.071 1.00 0.00 H new ATOM 0 HG13 ILE A 85 123.530 3.857 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 85 123.248 4.830 11.758 1.00 0.00 H new ATOM 0 HG22 ILE A 85 124.197 3.439 12.332 1.00 0.00 H new ATOM 0 HG23 ILE A 85 124.979 4.711 11.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 122.053 5.826 8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 85 121.374 4.395 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 85 122.202 5.649 10.225 1.00 0.00 H new ATOM 1436 N LYS A 86 124.790 0.528 11.407 1.00 0.00 N ATOM 1437 CA LYS A 86 125.218 -0.235 12.615 1.00 0.00 C ATOM 1438 C LYS A 86 126.296 -1.257 12.243 1.00 0.00 C ATOM 1439 O LYS A 86 127.473 -1.030 12.439 1.00 0.00 O ATOM 1440 CB LYS A 86 123.954 -0.944 13.105 1.00 0.00 C ATOM 1441 CG LYS A 86 123.255 -0.077 14.154 1.00 0.00 C ATOM 1442 CD LYS A 86 123.336 -0.762 15.521 1.00 0.00 C ATOM 1443 CE LYS A 86 122.180 -0.283 16.402 1.00 0.00 C ATOM 1444 NZ LYS A 86 122.709 0.909 17.119 1.00 0.00 N ATOM 0 H LYS A 86 124.068 0.079 10.843 1.00 0.00 H new ATOM 0 HA LYS A 86 125.646 0.412 13.381 1.00 0.00 H new ATOM 0 HB2 LYS A 86 123.282 -1.132 12.267 1.00 0.00 H new ATOM 0 HB3 LYS A 86 124.211 -1.914 13.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 123.724 0.906 14.200 1.00 0.00 H new ATOM 0 HG3 LYS A 86 122.213 0.080 13.875 1.00 0.00 H new ATOM 0 HD2 LYS A 86 123.291 -1.844 15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 86 124.289 -0.534 15.998 1.00 0.00 H new ATOM 0 HE2 LYS A 86 121.307 -0.027 15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 86 121.870 -1.059 17.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 121.972 1.294 17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 123.535 0.634 17.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 122.990 1.634 16.428 1.00 0.00 H new ATOM 1458 N THR A 87 125.903 -2.381 11.709 1.00 0.00 N ATOM 1459 CA THR A 87 126.907 -3.417 11.328 1.00 0.00 C ATOM 1460 C THR A 87 127.630 -3.009 10.041 1.00 0.00 C ATOM 1461 O THR A 87 128.739 -3.431 9.783 1.00 0.00 O ATOM 1462 CB THR A 87 126.097 -4.695 11.107 1.00 0.00 C ATOM 1463 OG1 THR A 87 126.980 -5.806 11.045 1.00 0.00 O ATOM 1464 CG2 THR A 87 125.318 -4.589 9.795 1.00 0.00 C ATOM 0 H THR A 87 124.931 -2.627 11.520 1.00 0.00 H new ATOM 0 HA THR A 87 127.673 -3.548 12.093 1.00 0.00 H new ATOM 0 HB THR A 87 125.397 -4.829 11.932 1.00 0.00 H new ATOM 0 HG1 THR A 87 126.463 -6.627 10.905 1.00 0.00 H new ATOM 0 HG21 THR A 87 124.741 -5.501 9.639 1.00 0.00 H new ATOM 0 HG22 THR A 87 124.642 -3.736 9.841 1.00 0.00 H new ATOM 0 HG23 THR A 87 126.015 -4.455 8.968 1.00 0.00 H new ATOM 1472 N GLY A 88 127.015 -2.192 9.231 1.00 0.00 N ATOM 1473 CA GLY A 88 127.675 -1.766 7.964 1.00 0.00 C ATOM 1474 C GLY A 88 129.099 -1.292 8.264 1.00 0.00 C ATOM 1475 O GLY A 88 130.059 -1.998 8.028 1.00 0.00 O ATOM 0 H GLY A 88 126.086 -1.802 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 88 127.698 -2.595 7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 88 127.104 -0.964 7.496 1.00 0.00 H new ATOM 1479 N SER A 89 129.244 -0.103 8.784 1.00 0.00 N ATOM 1480 CA SER A 89 130.608 0.411 9.096 1.00 0.00 C ATOM 1481 C SER A 89 130.527 1.846 9.627 1.00 0.00 C ATOM 1482 O SER A 89 129.601 2.576 9.334 1.00 0.00 O ATOM 1483 CB SER A 89 131.358 0.374 7.766 1.00 0.00 C ATOM 1484 OG SER A 89 132.397 1.344 7.786 1.00 0.00 O ATOM 0 H SER A 89 128.478 0.533 9.006 1.00 0.00 H new ATOM 0 HA SER A 89 131.106 -0.182 9.863 1.00 0.00 H new ATOM 0 HB2 SER A 89 131.775 -0.619 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 89 130.672 0.575 6.943 1.00 0.00 H new ATOM 0 HG SER A 89 132.882 1.322 6.935 1.00 0.00 H new ATOM 1490 N GLU A 90 131.492 2.255 10.406 1.00 0.00 N ATOM 1491 CA GLU A 90 131.470 3.642 10.953 1.00 0.00 C ATOM 1492 C GLU A 90 131.373 4.660 9.815 1.00 0.00 C ATOM 1493 O GLU A 90 131.033 5.809 10.024 1.00 0.00 O ATOM 1494 CB GLU A 90 132.797 3.796 11.699 1.00 0.00 C ATOM 1495 CG GLU A 90 132.631 3.315 13.142 1.00 0.00 C ATOM 1496 CD GLU A 90 133.203 4.362 14.099 1.00 0.00 C ATOM 1497 OE1 GLU A 90 134.237 4.927 13.779 1.00 0.00 O ATOM 1498 OE2 GLU A 90 132.599 4.582 15.136 1.00 0.00 O ATOM 0 H GLU A 90 132.293 1.690 10.687 1.00 0.00 H new ATOM 0 HA GLU A 90 130.613 3.814 11.605 1.00 0.00 H new ATOM 0 HB2 GLU A 90 133.576 3.220 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 90 133.114 4.839 11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 90 131.577 3.145 13.361 1.00 0.00 H new ATOM 0 HG3 GLU A 90 133.143 2.363 13.280 1.00 0.00 H new ATOM 1505 N ARG A 91 131.667 4.251 8.612 1.00 0.00 N ATOM 1506 CA ARG A 91 131.590 5.197 7.462 1.00 0.00 C ATOM 1507 C ARG A 91 130.131 5.408 7.051 1.00 0.00 C ATOM 1508 O ARG A 91 129.728 6.498 6.700 1.00 0.00 O ATOM 1509 CB ARG A 91 132.373 4.522 6.336 1.00 0.00 C ATOM 1510 CG ARG A 91 133.807 4.257 6.798 1.00 0.00 C ATOM 1511 CD ARG A 91 134.740 4.231 5.584 1.00 0.00 C ATOM 1512 NE ARG A 91 136.100 4.019 6.151 1.00 0.00 N ATOM 1513 CZ ARG A 91 137.146 4.064 5.371 1.00 0.00 C ATOM 1514 NH1 ARG A 91 137.675 5.213 5.056 1.00 0.00 N ATOM 1515 NH2 ARG A 91 137.662 2.958 4.908 1.00 0.00 N ATOM 0 H ARG A 91 131.957 3.302 8.375 1.00 0.00 H new ATOM 0 HA ARG A 91 131.997 6.178 7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 91 131.891 3.585 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 91 132.377 5.157 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 91 134.124 5.031 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 91 133.859 3.307 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 91 134.470 3.431 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 91 134.686 5.165 5.024 1.00 0.00 H new ATOM 0 HE ARG A 91 136.215 3.839 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 91 137.272 6.077 5.419 1.00 0.00 H new ATOM 0 HH12 ARG A 91 138.492 5.248 4.447 1.00 0.00 H new ATOM 0 HH21 ARG A 91 137.248 2.059 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 91 138.479 2.992 4.299 1.00 0.00 H new ATOM 1529 N VAL A 92 129.335 4.374 7.094 1.00 0.00 N ATOM 1530 CA VAL A 92 127.902 4.524 6.707 1.00 0.00 C ATOM 1531 C VAL A 92 127.219 5.552 7.610 1.00 0.00 C ATOM 1532 O VAL A 92 126.411 6.343 7.165 1.00 0.00 O ATOM 1533 CB VAL A 92 127.290 3.137 6.905 1.00 0.00 C ATOM 1534 CG1 VAL A 92 125.775 3.213 6.700 1.00 0.00 C ATOM 1535 CG2 VAL A 92 127.893 2.165 5.888 1.00 0.00 C ATOM 0 H VAL A 92 129.613 3.435 7.379 1.00 0.00 H new ATOM 0 HA VAL A 92 127.783 4.875 5.682 1.00 0.00 H new ATOM 0 HB VAL A 92 127.503 2.787 7.915 1.00 0.00 H new ATOM 0 HG11 VAL A 92 125.339 2.224 6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 92 125.344 3.906 7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 92 125.562 3.563 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 92 127.458 1.176 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 92 127.679 2.516 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 92 128.972 2.110 6.032 1.00 0.00 H new ATOM 1545 N SER A 93 127.541 5.554 8.874 1.00 0.00 N ATOM 1546 CA SER A 93 126.913 6.538 9.801 1.00 0.00 C ATOM 1547 C SER A 93 127.448 7.942 9.510 1.00 0.00 C ATOM 1548 O SER A 93 126.715 8.912 9.525 1.00 0.00 O ATOM 1549 CB SER A 93 127.326 6.084 11.199 1.00 0.00 C ATOM 1550 OG SER A 93 126.312 6.443 12.129 1.00 0.00 O ATOM 0 H SER A 93 128.211 4.917 9.305 1.00 0.00 H new ATOM 0 HA SER A 93 125.829 6.580 9.693 1.00 0.00 H new ATOM 0 HB2 SER A 93 127.482 5.005 11.212 1.00 0.00 H new ATOM 0 HB3 SER A 93 128.272 6.546 11.479 1.00 0.00 H new ATOM 0 HG SER A 93 126.574 6.151 13.027 1.00 0.00 H new ATOM 1556 N GLN A 94 128.720 8.059 9.241 1.00 0.00 N ATOM 1557 CA GLN A 94 129.298 9.401 8.945 1.00 0.00 C ATOM 1558 C GLN A 94 128.625 9.999 7.710 1.00 0.00 C ATOM 1559 O GLN A 94 128.335 11.178 7.657 1.00 0.00 O ATOM 1560 CB GLN A 94 130.783 9.145 8.685 1.00 0.00 C ATOM 1561 CG GLN A 94 131.496 8.902 10.016 1.00 0.00 C ATOM 1562 CD GLN A 94 132.917 9.462 9.945 1.00 0.00 C ATOM 1563 OE1 GLN A 94 133.338 10.194 10.819 1.00 0.00 O ATOM 1564 NE2 GLN A 94 133.680 9.146 8.935 1.00 0.00 N ATOM 0 H GLN A 94 129.383 7.284 9.213 1.00 0.00 H new ATOM 0 HA GLN A 94 129.148 10.109 9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 94 130.906 8.282 8.031 1.00 0.00 H new ATOM 0 HB3 GLN A 94 131.226 9.999 8.173 1.00 0.00 H new ATOM 0 HG2 GLN A 94 130.946 9.379 10.827 1.00 0.00 H new ATOM 0 HG3 GLN A 94 131.525 7.835 10.235 1.00 0.00 H new ATOM 0 HE21 GLN A 94 133.327 8.532 8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 94 134.630 9.513 8.879 1.00 0.00 H new ATOM 1573 N GLN A 95 128.364 9.193 6.722 1.00 0.00 N ATOM 1574 CA GLN A 95 127.696 9.711 5.496 1.00 0.00 C ATOM 1575 C GLN A 95 126.285 10.178 5.850 1.00 0.00 C ATOM 1576 O GLN A 95 125.815 11.192 5.373 1.00 0.00 O ATOM 1577 CB GLN A 95 127.647 8.525 4.533 1.00 0.00 C ATOM 1578 CG GLN A 95 126.744 8.865 3.346 1.00 0.00 C ATOM 1579 CD GLN A 95 127.348 10.034 2.563 1.00 0.00 C ATOM 1580 OE1 GLN A 95 127.563 11.098 3.108 1.00 0.00 O ATOM 1581 NE2 GLN A 95 127.632 9.879 1.300 1.00 0.00 N ATOM 0 H GLN A 95 128.584 8.197 6.709 1.00 0.00 H new ATOM 0 HA GLN A 95 128.221 10.559 5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 95 128.651 8.287 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 95 127.271 7.641 5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 95 126.636 7.996 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 95 125.746 9.126 3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 95 127.451 8.985 0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 95 128.035 10.651 0.769 1.00 0.00 H new ATOM 1590 N CYS A 96 125.609 9.449 6.697 1.00 0.00 N ATOM 1591 CA CYS A 96 124.234 9.857 7.095 1.00 0.00 C ATOM 1592 C CYS A 96 124.267 11.275 7.663 1.00 0.00 C ATOM 1593 O CYS A 96 123.412 12.090 7.381 1.00 0.00 O ATOM 1594 CB CYS A 96 123.815 8.854 8.170 1.00 0.00 C ATOM 1595 SG CYS A 96 123.049 7.413 7.387 1.00 0.00 S ATOM 0 H CYS A 96 125.950 8.590 7.129 1.00 0.00 H new ATOM 0 HA CYS A 96 123.537 9.859 6.257 1.00 0.00 H new ATOM 0 HB2 CYS A 96 124.683 8.546 8.753 1.00 0.00 H new ATOM 0 HB3 CYS A 96 123.115 9.320 8.863 1.00 0.00 H new ATOM 0 HG CYS A 96 122.272 7.806 6.422 1.00 0.00 H new ATOM 1601 N LYS A 97 125.260 11.575 8.453 1.00 0.00 N ATOM 1602 CA LYS A 97 125.364 12.945 9.031 1.00 0.00 C ATOM 1603 C LYS A 97 125.657 13.947 7.915 1.00 0.00 C ATOM 1604 O LYS A 97 125.234 15.086 7.956 1.00 0.00 O ATOM 1605 CB LYS A 97 126.531 12.875 10.014 1.00 0.00 C ATOM 1606 CG LYS A 97 126.178 11.927 11.162 1.00 0.00 C ATOM 1607 CD LYS A 97 126.675 12.518 12.483 1.00 0.00 C ATOM 1608 CE LYS A 97 128.180 12.777 12.395 1.00 0.00 C ATOM 1609 NZ LYS A 97 128.596 13.090 13.790 1.00 0.00 N ATOM 0 H LYS A 97 126.004 10.932 8.724 1.00 0.00 H new ATOM 0 HA LYS A 97 124.446 13.266 9.523 1.00 0.00 H new ATOM 0 HB2 LYS A 97 127.429 12.526 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 97 126.751 13.869 10.404 1.00 0.00 H new ATOM 0 HG2 LYS A 97 125.100 11.774 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 97 126.633 10.951 10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 97 126.148 13.447 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 97 126.461 11.833 13.303 1.00 0.00 H new ATOM 0 HE2 LYS A 97 128.709 11.905 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 97 128.400 13.605 11.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 129.618 13.280 13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 128.080 13.928 14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 128.380 12.281 14.406 1.00 0.00 H new ATOM 1623 N GLU A 98 126.376 13.525 6.913 1.00 0.00 N ATOM 1624 CA GLU A 98 126.698 14.438 5.782 1.00 0.00 C ATOM 1625 C GLU A 98 125.505 14.516 4.827 1.00 0.00 C ATOM 1626 O GLU A 98 125.427 15.382 3.979 1.00 0.00 O ATOM 1627 CB GLU A 98 127.902 13.798 5.090 1.00 0.00 C ATOM 1628 CG GLU A 98 129.024 13.592 6.109 1.00 0.00 C ATOM 1629 CD GLU A 98 130.280 14.330 5.644 1.00 0.00 C ATOM 1630 OE1 GLU A 98 130.829 13.942 4.627 1.00 0.00 O ATOM 1631 OE2 GLU A 98 130.673 15.271 6.315 1.00 0.00 O ATOM 0 H GLU A 98 126.756 12.582 6.829 1.00 0.00 H new ATOM 0 HA GLU A 98 126.914 15.455 6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 98 127.617 12.843 4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 98 128.248 14.434 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 98 128.714 13.961 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 98 129.236 12.529 6.222 1.00 0.00 H new ATOM 1638 N ASN A 99 124.575 13.612 4.964 1.00 0.00 N ATOM 1639 CA ASN A 99 123.382 13.621 4.076 1.00 0.00 C ATOM 1640 C ASN A 99 122.103 13.533 4.913 1.00 0.00 C ATOM 1641 O ASN A 99 121.119 12.950 4.503 1.00 0.00 O ATOM 1642 CB ASN A 99 123.534 12.381 3.196 1.00 0.00 C ATOM 1643 CG ASN A 99 124.279 12.754 1.913 1.00 0.00 C ATOM 1644 OD1 ASN A 99 123.667 13.022 0.898 1.00 0.00 O ATOM 1645 ND2 ASN A 99 125.584 12.784 1.915 1.00 0.00 N ATOM 0 H ASN A 99 124.592 12.864 5.657 1.00 0.00 H new ATOM 0 HA ASN A 99 123.313 14.533 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 99 124.079 11.605 3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 99 122.553 11.971 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 99 126.090 13.032 1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 99 126.098 12.559 2.767 1.00 0.00 H new ATOM 1652 N MET A 100 122.110 14.109 6.086 1.00 0.00 N ATOM 1653 CA MET A 100 120.895 14.057 6.949 1.00 0.00 C ATOM 1654 C MET A 100 119.714 14.730 6.243 1.00 0.00 C ATOM 1655 O MET A 100 118.570 14.385 6.462 1.00 0.00 O ATOM 1656 CB MET A 100 121.274 14.829 8.215 1.00 0.00 C ATOM 1657 CG MET A 100 121.611 16.276 7.851 1.00 0.00 C ATOM 1658 SD MET A 100 122.156 17.158 9.337 1.00 0.00 S ATOM 1659 CE MET A 100 121.551 18.796 8.865 1.00 0.00 C ATOM 0 H MET A 100 122.903 14.612 6.483 1.00 0.00 H new ATOM 0 HA MET A 100 120.590 13.034 7.171 1.00 0.00 H new ATOM 0 HB2 MET A 100 120.450 14.805 8.928 1.00 0.00 H new ATOM 0 HB3 MET A 100 122.129 14.357 8.699 1.00 0.00 H new ATOM 0 HG2 MET A 100 122.394 16.299 7.093 1.00 0.00 H new ATOM 0 HG3 MET A 100 120.738 16.768 7.422 1.00 0.00 H new ATOM 0 HE1 MET A 100 121.122 19.291 9.737 1.00 0.00 H new ATOM 0 HE2 MET A 100 122.378 19.392 8.480 1.00 0.00 H new ATOM 0 HE3 MET A 100 120.787 18.694 8.094 1.00 0.00 H new ATOM 1669 N TYR A 101 119.984 15.686 5.399 1.00 0.00 N ATOM 1670 CA TYR A 101 118.877 16.379 4.679 1.00 0.00 C ATOM 1671 C TYR A 101 118.169 15.404 3.734 1.00 0.00 C ATOM 1672 O TYR A 101 117.008 15.565 3.415 1.00 0.00 O ATOM 1673 CB TYR A 101 119.557 17.495 3.888 1.00 0.00 C ATOM 1674 CG TYR A 101 119.986 18.592 4.832 1.00 0.00 C ATOM 1675 CD1 TYR A 101 119.029 19.266 5.600 1.00 0.00 C ATOM 1676 CD2 TYR A 101 121.339 18.935 4.939 1.00 0.00 C ATOM 1677 CE1 TYR A 101 119.426 20.283 6.477 1.00 0.00 C ATOM 1678 CE2 TYR A 101 121.735 19.953 5.815 1.00 0.00 C ATOM 1679 CZ TYR A 101 120.780 20.627 6.584 1.00 0.00 C ATOM 1680 OH TYR A 101 121.171 21.628 7.447 1.00 0.00 O ATOM 0 H TYR A 101 120.922 16.018 5.176 1.00 0.00 H new ATOM 0 HA TYR A 101 118.119 16.766 5.360 1.00 0.00 H new ATOM 0 HB2 TYR A 101 120.422 17.102 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 101 118.873 17.893 3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 101 117.985 19.002 5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 101 122.077 18.415 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 101 118.688 20.802 7.071 1.00 0.00 H new ATOM 0 HE2 TYR A 101 122.779 20.218 5.897 1.00 0.00 H new ATOM 0 HH TYR A 101 122.144 21.739 7.400 1.00 0.00 H new ATOM 1690 N ALA A 102 118.861 14.395 3.285 1.00 0.00 N ATOM 1691 CA ALA A 102 118.231 13.409 2.361 1.00 0.00 C ATOM 1692 C ALA A 102 117.317 12.464 3.143 1.00 0.00 C ATOM 1693 O ALA A 102 116.232 12.131 2.707 1.00 0.00 O ATOM 1694 CB ALA A 102 119.400 12.639 1.747 1.00 0.00 C ATOM 0 H ALA A 102 119.837 14.209 3.518 1.00 0.00 H new ATOM 0 HA ALA A 102 117.616 13.889 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 102 119.018 11.891 1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 102 120.051 13.331 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 102 119.965 12.145 2.537 1.00 0.00 H new ATOM 1700 N VAL A 103 117.746 12.031 4.293 1.00 0.00 N ATOM 1701 CA VAL A 103 116.902 11.107 5.103 1.00 0.00 C ATOM 1702 C VAL A 103 115.728 11.874 5.718 1.00 0.00 C ATOM 1703 O VAL A 103 114.692 11.311 6.013 1.00 0.00 O ATOM 1704 CB VAL A 103 117.821 10.568 6.204 1.00 0.00 C ATOM 1705 CG1 VAL A 103 117.230 9.273 6.758 1.00 0.00 C ATOM 1706 CG2 VAL A 103 119.210 10.281 5.626 1.00 0.00 C ATOM 0 H VAL A 103 118.645 12.276 4.709 1.00 0.00 H new ATOM 0 HA VAL A 103 116.484 10.302 4.499 1.00 0.00 H new ATOM 0 HB VAL A 103 117.908 11.309 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 103 117.879 8.883 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 103 116.241 9.472 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 103 117.148 8.539 5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 103 119.860 9.898 6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 103 119.127 9.540 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 103 119.633 11.201 5.222 1.00 0.00 H new ATOM 1716 N GLN A 104 115.884 13.154 5.917 1.00 0.00 N ATOM 1717 CA GLN A 104 114.782 13.957 6.515 1.00 0.00 C ATOM 1718 C GLN A 104 113.836 14.464 5.423 1.00 0.00 C ATOM 1719 O GLN A 104 112.679 14.740 5.671 1.00 0.00 O ATOM 1720 CB GLN A 104 115.478 15.128 7.209 1.00 0.00 C ATOM 1721 CG GLN A 104 116.229 14.618 8.441 1.00 0.00 C ATOM 1722 CD GLN A 104 116.489 15.782 9.400 1.00 0.00 C ATOM 1723 OE1 GLN A 104 116.608 15.586 10.593 1.00 0.00 O ATOM 1724 NE2 GLN A 104 116.580 16.993 8.925 1.00 0.00 N ATOM 0 H GLN A 104 116.729 13.679 5.691 1.00 0.00 H new ATOM 0 HA GLN A 104 114.177 13.372 7.208 1.00 0.00 H new ATOM 0 HB2 GLN A 104 116.172 15.612 6.521 1.00 0.00 H new ATOM 0 HB3 GLN A 104 114.744 15.879 7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 104 115.646 13.845 8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 104 117.173 14.162 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 104 116.480 17.157 7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 104 116.751 17.776 9.555 1.00 0.00 H new ATOM 1733 N THR A 105 114.318 14.592 4.216 1.00 0.00 N ATOM 1734 CA THR A 105 113.443 15.083 3.113 1.00 0.00 C ATOM 1735 C THR A 105 112.299 14.098 2.862 1.00 0.00 C ATOM 1736 O THR A 105 111.346 14.401 2.171 1.00 0.00 O ATOM 1737 CB THR A 105 114.358 15.166 1.890 1.00 0.00 C ATOM 1738 OG1 THR A 105 113.694 15.874 0.851 1.00 0.00 O ATOM 1739 CG2 THR A 105 114.700 13.755 1.411 1.00 0.00 C ATOM 0 H THR A 105 115.278 14.378 3.947 1.00 0.00 H new ATOM 0 HA THR A 105 112.985 16.044 3.347 1.00 0.00 H new ATOM 0 HB THR A 105 115.276 15.689 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 105 112.740 15.651 0.861 1.00 0.00 H new ATOM 0 HG21 THR A 105 115.352 13.815 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 105 115.209 13.213 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 105 113.783 13.230 1.143 1.00 0.00 H new ATOM 1747 N LEU A 106 112.384 12.920 3.417 1.00 0.00 N ATOM 1748 CA LEU A 106 111.301 11.917 3.209 1.00 0.00 C ATOM 1749 C LEU A 106 110.062 12.300 4.022 1.00 0.00 C ATOM 1750 O LEU A 106 108.943 12.168 3.566 1.00 0.00 O ATOM 1751 CB LEU A 106 111.881 10.594 3.708 1.00 0.00 C ATOM 1752 CG LEU A 106 112.684 9.933 2.585 1.00 0.00 C ATOM 1753 CD1 LEU A 106 113.447 8.730 3.140 1.00 0.00 C ATOM 1754 CD2 LEU A 106 111.729 9.466 1.484 1.00 0.00 C ATOM 0 H LEU A 106 113.157 12.609 4.006 1.00 0.00 H new ATOM 0 HA LEU A 106 110.991 11.857 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 106 112.521 10.768 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 106 111.078 9.932 4.034 1.00 0.00 H new ATOM 0 HG LEU A 106 113.392 10.653 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 106 114.018 8.260 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 106 114.127 9.061 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 106 112.740 8.010 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 106 112.299 8.995 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 106 111.021 8.747 1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 106 111.185 10.323 1.086 1.00 0.00 H new ATOM 1766 N LYS A 107 110.250 12.772 5.224 1.00 0.00 N ATOM 1767 CA LYS A 107 109.080 13.160 6.061 1.00 0.00 C ATOM 1768 C LYS A 107 108.133 14.055 5.256 1.00 0.00 C ATOM 1769 O LYS A 107 106.951 14.129 5.529 1.00 0.00 O ATOM 1770 CB LYS A 107 109.672 13.925 7.245 1.00 0.00 C ATOM 1771 CG LYS A 107 110.206 15.278 6.769 1.00 0.00 C ATOM 1772 CD LYS A 107 109.261 16.390 7.227 1.00 0.00 C ATOM 1773 CE LYS A 107 109.777 16.990 8.537 1.00 0.00 C ATOM 1774 NZ LYS A 107 109.150 18.338 8.616 1.00 0.00 N ATOM 0 H LYS A 107 111.162 12.905 5.662 1.00 0.00 H new ATOM 0 HA LYS A 107 108.500 12.297 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 107 108.912 14.073 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 107 110.475 13.346 7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 107 111.205 15.448 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 107 110.293 15.285 5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 107 109.194 17.163 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 107 108.256 15.993 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 107 109.497 16.374 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 107 110.865 17.060 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 109.456 18.813 9.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 109.440 18.905 7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.115 18.240 8.620 1.00 0.00 H new ATOM 1987 N VAL A 121 102.827 6.867 4.701 1.00 0.00 N ATOM 1988 CA VAL A 121 103.338 7.357 6.011 1.00 0.00 C ATOM 1989 C VAL A 121 104.504 6.488 6.483 1.00 0.00 C ATOM 1990 O VAL A 121 105.507 6.981 6.959 1.00 0.00 O ATOM 1991 CB VAL A 121 102.150 7.237 6.969 1.00 0.00 C ATOM 1992 CG1 VAL A 121 101.984 5.783 7.423 1.00 0.00 C ATOM 1993 CG2 VAL A 121 102.391 8.127 8.190 1.00 0.00 C ATOM 0 HA VAL A 121 103.712 8.379 5.954 1.00 0.00 H new ATOM 0 HB VAL A 121 101.243 7.554 6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 121 101.136 5.709 8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 121 101.808 5.148 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 121 102.889 5.456 7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 121 101.546 8.043 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 121 103.302 7.809 8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 121 102.497 9.163 7.870 1.00 0.00 H new ATOM 2003 N ASN A 122 104.372 5.198 6.355 1.00 0.00 N ATOM 2004 CA ASN A 122 105.465 4.282 6.795 1.00 0.00 C ATOM 2005 C ASN A 122 106.829 4.862 6.412 1.00 0.00 C ATOM 2006 O ASN A 122 107.828 4.601 7.054 1.00 0.00 O ATOM 2007 CB ASN A 122 105.207 2.974 6.047 1.00 0.00 C ATOM 2008 CG ASN A 122 105.236 1.807 7.037 1.00 0.00 C ATOM 2009 OD1 ASN A 122 104.886 1.965 8.189 1.00 0.00 O ATOM 2010 ND2 ASN A 122 105.641 0.634 6.632 1.00 0.00 N ATOM 0 H ASN A 122 103.552 4.735 5.963 1.00 0.00 H new ATOM 0 HA ASN A 122 105.476 4.139 7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 122 104.241 3.015 5.544 1.00 0.00 H new ATOM 0 HB3 ASN A 122 105.962 2.829 5.275 1.00 0.00 H new ATOM 0 HD21 ASN A 122 105.664 -0.151 7.283 1.00 0.00 H new ATOM 0 HD22 ASN A 122 105.935 0.502 5.664 1.00 0.00 H new ATOM 2017 N VAL A 123 106.879 5.648 5.373 1.00 0.00 N ATOM 2018 CA VAL A 123 108.175 6.247 4.949 1.00 0.00 C ATOM 2019 C VAL A 123 108.542 7.413 5.877 1.00 0.00 C ATOM 2020 O VAL A 123 109.648 7.503 6.371 1.00 0.00 O ATOM 2021 CB VAL A 123 107.927 6.729 3.511 1.00 0.00 C ATOM 2022 CG1 VAL A 123 108.747 7.989 3.213 1.00 0.00 C ATOM 2023 CG2 VAL A 123 108.333 5.624 2.533 1.00 0.00 C ATOM 0 H VAL A 123 106.076 5.902 4.798 1.00 0.00 H new ATOM 0 HA VAL A 123 109.006 5.543 4.998 1.00 0.00 H new ATOM 0 HB VAL A 123 106.869 6.964 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 123 108.557 8.313 2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 123 108.460 8.782 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 123 109.808 7.769 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 123 108.159 5.961 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 123 109.390 5.393 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 123 107.739 4.731 2.727 1.00 0.00 H new ATOM 2033 N ARG A 124 107.625 8.310 6.110 1.00 0.00 N ATOM 2034 CA ARG A 124 107.922 9.473 6.996 1.00 0.00 C ATOM 2035 C ARG A 124 108.301 9.002 8.403 1.00 0.00 C ATOM 2036 O ARG A 124 109.146 9.581 9.055 1.00 0.00 O ATOM 2037 CB ARG A 124 106.624 10.280 7.033 1.00 0.00 C ATOM 2038 CG ARG A 124 106.677 11.282 8.188 1.00 0.00 C ATOM 2039 CD ARG A 124 105.409 12.139 8.181 1.00 0.00 C ATOM 2040 NE ARG A 124 104.928 12.122 9.590 1.00 0.00 N ATOM 2041 CZ ARG A 124 103.919 12.871 9.944 1.00 0.00 C ATOM 2042 NH1 ARG A 124 103.622 13.937 9.254 1.00 0.00 N ATOM 2043 NH2 ARG A 124 103.208 12.552 10.991 1.00 0.00 N ATOM 0 H ARG A 124 106.681 8.289 5.725 1.00 0.00 H new ATOM 0 HA ARG A 124 108.763 10.061 6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 124 106.483 10.805 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 124 105.772 9.612 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 124 106.766 10.754 9.137 1.00 0.00 H new ATOM 0 HG3 ARG A 124 107.558 11.917 8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 124 105.621 13.155 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 124 104.660 11.731 7.503 1.00 0.00 H new ATOM 0 HE ARG A 124 105.387 11.525 10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 124 104.178 14.187 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 124 102.833 14.521 9.532 1.00 0.00 H new ATOM 0 HH21 ARG A 124 103.441 11.719 11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 124 102.419 13.136 11.269 1.00 0.00 H new ATOM 2057 N GLU A 125 107.675 7.964 8.880 1.00 0.00 N ATOM 2058 CA GLU A 125 107.992 7.466 10.251 1.00 0.00 C ATOM 2059 C GLU A 125 109.297 6.662 10.252 1.00 0.00 C ATOM 2060 O GLU A 125 110.250 7.013 10.918 1.00 0.00 O ATOM 2061 CB GLU A 125 106.811 6.570 10.626 1.00 0.00 C ATOM 2062 CG GLU A 125 105.519 7.388 10.592 1.00 0.00 C ATOM 2063 CD GLU A 125 104.560 6.870 11.666 1.00 0.00 C ATOM 2064 OE1 GLU A 125 104.370 5.667 11.733 1.00 0.00 O ATOM 2065 OE2 GLU A 125 104.032 7.686 12.404 1.00 0.00 O ATOM 0 H GLU A 125 106.957 7.437 8.382 1.00 0.00 H new ATOM 0 HA GLU A 125 108.132 8.283 10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 125 106.742 5.732 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 125 106.961 6.149 11.620 1.00 0.00 H new ATOM 0 HG2 GLU A 125 105.738 8.442 10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 125 105.055 7.314 9.608 1.00 0.00 H new ATOM 2072 N LYS A 126 109.345 5.582 9.522 1.00 0.00 N ATOM 2073 CA LYS A 126 110.588 4.756 9.495 1.00 0.00 C ATOM 2074 C LYS A 126 111.810 5.645 9.256 1.00 0.00 C ATOM 2075 O LYS A 126 112.829 5.505 9.903 1.00 0.00 O ATOM 2076 CB LYS A 126 110.394 3.785 8.330 1.00 0.00 C ATOM 2077 CG LYS A 126 111.603 2.852 8.234 1.00 0.00 C ATOM 2078 CD LYS A 126 111.314 1.559 8.999 1.00 0.00 C ATOM 2079 CE LYS A 126 112.627 0.971 9.520 1.00 0.00 C ATOM 2080 NZ LYS A 126 112.816 1.582 10.865 1.00 0.00 N ATOM 0 H LYS A 126 108.580 5.235 8.944 1.00 0.00 H new ATOM 0 HA LYS A 126 110.756 4.234 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 126 109.484 3.204 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 126 110.274 4.338 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 126 111.820 2.628 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 126 112.486 3.341 8.646 1.00 0.00 H new ATOM 0 HD2 LYS A 126 110.637 1.759 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 126 110.815 0.842 8.347 1.00 0.00 H new ATOM 0 HE2 LYS A 126 112.575 -0.116 9.584 1.00 0.00 H new ATOM 0 HE3 LYS A 126 113.458 1.212 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 113.698 1.227 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 112.869 2.616 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 112.013 1.330 11.477 1.00 0.00 H new ATOM 2094 N ALA A 127 111.716 6.557 8.330 1.00 0.00 N ATOM 2095 CA ALA A 127 112.872 7.455 8.046 1.00 0.00 C ATOM 2096 C ALA A 127 113.160 8.353 9.253 1.00 0.00 C ATOM 2097 O ALA A 127 114.295 8.541 9.642 1.00 0.00 O ATOM 2098 CB ALA A 127 112.433 8.295 6.846 1.00 0.00 C ATOM 0 H ALA A 127 110.889 6.720 7.756 1.00 0.00 H new ATOM 0 HA ALA A 127 113.786 6.897 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 127 113.232 8.985 6.573 1.00 0.00 H new ATOM 0 HB2 ALA A 127 112.216 7.639 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 127 111.538 8.861 7.106 1.00 0.00 H new ATOM 2104 N LYS A 128 112.140 8.911 9.848 1.00 0.00 N ATOM 2105 CA LYS A 128 112.356 9.800 11.027 1.00 0.00 C ATOM 2106 C LYS A 128 113.264 9.117 12.055 1.00 0.00 C ATOM 2107 O LYS A 128 114.106 9.744 12.666 1.00 0.00 O ATOM 2108 CB LYS A 128 110.962 10.025 11.612 1.00 0.00 C ATOM 2109 CG LYS A 128 111.015 11.164 12.630 1.00 0.00 C ATOM 2110 CD LYS A 128 109.844 11.034 13.605 1.00 0.00 C ATOM 2111 CE LYS A 128 109.109 12.372 13.705 1.00 0.00 C ATOM 2112 NZ LYS A 128 108.546 12.399 15.083 1.00 0.00 N ATOM 0 H LYS A 128 111.166 8.790 9.569 1.00 0.00 H new ATOM 0 HA LYS A 128 112.842 10.736 10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 128 110.257 10.266 10.817 1.00 0.00 H new ATOM 0 HB3 LYS A 128 110.604 9.113 12.089 1.00 0.00 H new ATOM 0 HG2 LYS A 128 111.959 11.136 13.174 1.00 0.00 H new ATOM 0 HG3 LYS A 128 110.970 12.125 12.118 1.00 0.00 H new ATOM 0 HD2 LYS A 128 109.160 10.256 13.266 1.00 0.00 H new ATOM 0 HD3 LYS A 128 110.207 10.733 14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 128 109.788 13.209 13.539 1.00 0.00 H new ATOM 0 HE3 LYS A 128 108.321 12.447 12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 108.026 13.288 15.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 107.899 11.595 15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 109.319 12.333 15.775 1.00 0.00 H new ATOM 2126 N GLN A 129 113.096 7.838 12.254 1.00 0.00 N ATOM 2127 CA GLN A 129 113.948 7.121 13.248 1.00 0.00 C ATOM 2128 C GLN A 129 115.382 6.986 12.725 1.00 0.00 C ATOM 2129 O GLN A 129 116.333 7.317 13.403 1.00 0.00 O ATOM 2130 CB GLN A 129 113.302 5.746 13.404 1.00 0.00 C ATOM 2131 CG GLN A 129 114.113 4.910 14.396 1.00 0.00 C ATOM 2132 CD GLN A 129 113.161 4.133 15.307 1.00 0.00 C ATOM 2133 OE1 GLN A 129 112.021 3.902 14.958 1.00 0.00 O ATOM 2134 NE2 GLN A 129 113.585 3.718 16.470 1.00 0.00 N ATOM 0 H GLN A 129 112.408 7.259 11.773 1.00 0.00 H new ATOM 0 HA GLN A 129 114.009 7.654 14.197 1.00 0.00 H new ATOM 0 HB2 GLN A 129 112.276 5.853 13.756 1.00 0.00 H new ATOM 0 HB3 GLN A 129 113.257 5.242 12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 129 114.764 4.220 13.859 1.00 0.00 H new ATOM 0 HG3 GLN A 129 114.757 5.557 14.992 1.00 0.00 H new ATOM 0 HE21 GLN A 129 114.543 3.912 16.763 1.00 0.00 H new ATOM 0 HE22 GLN A 129 112.959 3.200 17.086 1.00 0.00 H new ATOM 2143 N LEU A 130 115.543 6.498 11.525 1.00 0.00 N ATOM 2144 CA LEU A 130 116.917 6.339 10.967 1.00 0.00 C ATOM 2145 C LEU A 130 117.715 7.636 11.140 1.00 0.00 C ATOM 2146 O LEU A 130 118.930 7.632 11.140 1.00 0.00 O ATOM 2147 CB LEU A 130 116.708 6.026 9.483 1.00 0.00 C ATOM 2148 CG LEU A 130 118.065 5.837 8.795 1.00 0.00 C ATOM 2149 CD1 LEU A 130 118.970 4.962 9.667 1.00 0.00 C ATOM 2150 CD2 LEU A 130 117.854 5.155 7.441 1.00 0.00 C ATOM 0 H LEU A 130 114.786 6.203 10.908 1.00 0.00 H new ATOM 0 HA LEU A 130 117.480 5.554 11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 130 116.106 5.124 9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 130 116.158 6.836 9.005 1.00 0.00 H new ATOM 0 HG LEU A 130 118.535 6.810 8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 130 119.933 4.830 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 130 119.120 5.443 10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 130 118.502 3.989 9.815 1.00 0.00 H new ATOM 0 HD21 LEU A 130 118.817 5.019 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 130 117.383 4.184 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 130 117.212 5.776 6.817 1.00 0.00 H new ATOM 2162 N VAL A 131 117.042 8.745 11.289 1.00 0.00 N ATOM 2163 CA VAL A 131 117.763 10.037 11.463 1.00 0.00 C ATOM 2164 C VAL A 131 117.972 10.333 12.952 1.00 0.00 C ATOM 2165 O VAL A 131 118.946 10.943 13.342 1.00 0.00 O ATOM 2166 CB VAL A 131 116.853 11.089 10.830 1.00 0.00 C ATOM 2167 CG1 VAL A 131 117.548 12.450 10.860 1.00 0.00 C ATOM 2168 CG2 VAL A 131 116.564 10.699 9.380 1.00 0.00 C ATOM 0 H VAL A 131 116.024 8.811 11.298 1.00 0.00 H new ATOM 0 HA VAL A 131 118.750 10.022 11.002 1.00 0.00 H new ATOM 0 HB VAL A 131 115.919 11.147 11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 131 116.899 13.200 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 131 117.760 12.728 11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 131 118.482 12.394 10.300 1.00 0.00 H new ATOM 0 HG21 VAL A 131 115.915 11.447 8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 131 117.500 10.644 8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 131 116.071 9.727 9.356 1.00 0.00 H new ATOM 2178 N ALA A 132 117.062 9.904 13.784 1.00 0.00 N ATOM 2179 CA ALA A 132 117.208 10.161 15.247 1.00 0.00 C ATOM 2180 C ALA A 132 118.350 9.319 15.823 1.00 0.00 C ATOM 2181 O ALA A 132 119.336 9.839 16.306 1.00 0.00 O ATOM 2182 CB ALA A 132 115.870 9.739 15.855 1.00 0.00 C ATOM 0 H ALA A 132 116.225 9.387 13.515 1.00 0.00 H new ATOM 0 HA ALA A 132 117.445 11.203 15.462 1.00 0.00 H new ATOM 0 HB1 ALA A 132 115.894 9.897 16.933 1.00 0.00 H new ATOM 0 HB2 ALA A 132 115.068 10.335 15.419 1.00 0.00 H new ATOM 0 HB3 ALA A 132 115.692 8.684 15.647 1.00 0.00 H new ATOM 2188 N LEU A 133 118.224 8.021 15.776 1.00 0.00 N ATOM 2189 CA LEU A 133 119.300 7.143 16.322 1.00 0.00 C ATOM 2190 C LEU A 133 120.678 7.661 15.896 1.00 0.00 C ATOM 2191 O LEU A 133 121.666 7.446 16.568 1.00 0.00 O ATOM 2192 CB LEU A 133 119.035 5.766 15.714 1.00 0.00 C ATOM 2193 CG LEU A 133 119.946 4.730 16.378 1.00 0.00 C ATOM 2194 CD1 LEU A 133 119.351 4.313 17.724 1.00 0.00 C ATOM 2195 CD2 LEU A 133 120.066 3.503 15.472 1.00 0.00 C ATOM 0 H LEU A 133 117.422 7.529 15.383 1.00 0.00 H new ATOM 0 HA LEU A 133 119.295 7.116 17.412 1.00 0.00 H new ATOM 0 HB2 LEU A 133 117.990 5.490 15.854 1.00 0.00 H new ATOM 0 HB3 LEU A 133 119.217 5.790 14.640 1.00 0.00 H new ATOM 0 HG LEU A 133 120.933 5.164 16.537 1.00 0.00 H new ATOM 0 HD11 LEU A 133 120.000 3.575 18.196 1.00 0.00 H new ATOM 0 HD12 LEU A 133 119.265 5.187 18.370 1.00 0.00 H new ATOM 0 HD13 LEU A 133 118.363 3.879 17.567 1.00 0.00 H new ATOM 0 HD21 LEU A 133 120.714 2.765 15.944 1.00 0.00 H new ATOM 0 HD22 LEU A 133 119.078 3.070 15.313 1.00 0.00 H new ATOM 0 HD23 LEU A 133 120.491 3.799 14.513 1.00 0.00 H new ATOM 2207 N LEU A 134 120.751 8.337 14.783 1.00 0.00 N ATOM 2208 CA LEU A 134 122.067 8.862 14.316 1.00 0.00 C ATOM 2209 C LEU A 134 122.446 10.121 15.100 1.00 0.00 C ATOM 2210 O LEU A 134 123.483 10.183 15.728 1.00 0.00 O ATOM 2211 CB LEU A 134 121.860 9.191 12.837 1.00 0.00 C ATOM 2212 CG LEU A 134 121.999 7.912 12.010 1.00 0.00 C ATOM 2213 CD1 LEU A 134 121.747 8.227 10.535 1.00 0.00 C ATOM 2214 CD2 LEU A 134 123.412 7.350 12.177 1.00 0.00 C ATOM 0 H LEU A 134 119.958 8.549 14.177 1.00 0.00 H new ATOM 0 HA LEU A 134 122.873 8.144 14.465 1.00 0.00 H new ATOM 0 HB2 LEU A 134 120.874 9.631 12.685 1.00 0.00 H new ATOM 0 HB3 LEU A 134 122.592 9.930 12.511 1.00 0.00 H new ATOM 0 HG LEU A 134 121.271 7.177 12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 134 121.846 7.315 9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 134 120.741 8.628 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 134 122.474 8.962 10.191 1.00 0.00 H new ATOM 0 HD21 LEU A 134 123.513 6.438 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 134 124.139 8.086 11.834 1.00 0.00 H new ATOM 0 HD23 LEU A 134 123.592 7.125 13.228 1.00 0.00 H new