USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 714 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 114 CYS SG : rot 14:sc= -0.172 USER MOD Set 1.2: A 121 HIS : no HE2:sc= 0.271 K(o=0.099,f=-1.3) USER MOD Set 2.1: A 40 ASN : amide:sc= -1.38! C(o=-0.92!,f=-10!) USER MOD Set 2.2: A 44 THR OG1 : rot -113:sc= -0.514 USER MOD Set 2.3: A 91 GLN : amide:sc= 0.973 X(o=-0.92,f=-0.76) USER MOD Set 3.1: A 57 ASN :FLIP amide:sc= 0 F(o=-0.022,f=0.63) USER MOD Set 3.2: A 58 GLN : amide:sc= 0.626 K(o=0.63,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0172) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000418) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= 1.1 (180deg=0.567) USER MOD Single : A 50 ASN : amide:sc= 1.15 K(o=1.2,f=-0.055) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 1.01 K(o=1,f=-1.3) USER MOD Single : A 62 THR OG1 : rot -62:sc= 1.13 USER MOD Single : A 66 SER OG : rot -107:sc= 0.197 USER MOD Single : A 70 ASN : amide:sc= -0.42 K(o=-0.42,f=-6.9!) USER MOD Single : A 76 ASN : amide:sc= -1.61! X(o=-1.6!,f=-2) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0143 USER MOD Single : A 89 CYS SG : rot -10:sc= -0.81! USER MOD Single : A 94 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-2.3) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.186 K(o=0.19,f=-2.8!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.236 K(o=0.24,f=-4.9!) USER MOD Single : A 105 ASN : amide:sc= -0.0946 K(o=-0.095,f=-4.6!) USER MOD Single : A 108 TYR OH : rot -149:sc= 1.26 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.74 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.93) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 504 N TRP A 37 8.408 9.690 -3.741 1.00 0.00 N ATOM 505 CA TRP A 37 7.371 8.702 -3.574 1.00 0.00 C ATOM 506 C TRP A 37 7.741 7.401 -4.294 1.00 0.00 C ATOM 507 O TRP A 37 8.341 7.426 -5.377 1.00 0.00 O ATOM 508 CB TRP A 37 6.039 9.249 -4.118 1.00 0.00 C ATOM 509 CG TRP A 37 5.606 10.578 -3.519 1.00 0.00 C ATOM 510 CD1 TRP A 37 6.183 11.799 -3.728 1.00 0.00 C ATOM 511 CD2 TRP A 37 4.491 10.822 -2.652 1.00 0.00 C ATOM 512 NE1 TRP A 37 5.516 12.764 -3.039 1.00 0.00 N ATOM 513 CE2 TRP A 37 4.475 12.202 -2.375 1.00 0.00 C ATOM 514 CE3 TRP A 37 3.516 10.019 -2.081 1.00 0.00 C ATOM 515 CZ2 TRP A 37 3.521 12.789 -1.557 1.00 0.00 C ATOM 516 CZ3 TRP A 37 2.569 10.606 -1.267 1.00 0.00 C ATOM 517 CH2 TRP A 37 2.578 11.976 -1.015 1.00 0.00 C ATOM 0 HA TRP A 37 7.263 8.485 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 37 6.123 9.363 -5.199 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.257 8.512 -3.935 1.00 0.00 H new ATOM 0 HD1 TRP A 37 7.047 11.973 -4.352 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.760 13.754 -3.024 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.498 8.956 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.528 13.851 -1.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.805 9.990 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.819 12.401 -0.375 1.00 0.00 H new ATOM 528 N LYS A 38 7.420 6.289 -3.679 1.00 0.00 N ATOM 529 CA LYS A 38 7.607 4.972 -4.266 1.00 0.00 C ATOM 530 C LYS A 38 6.242 4.371 -4.483 1.00 0.00 C ATOM 531 O LYS A 38 5.325 4.695 -3.759 1.00 0.00 O ATOM 532 CB LYS A 38 8.392 4.033 -3.335 1.00 0.00 C ATOM 533 CG LYS A 38 9.803 4.462 -2.975 1.00 0.00 C ATOM 534 CD LYS A 38 10.479 3.362 -2.165 1.00 0.00 C ATOM 535 CE LYS A 38 11.906 3.712 -1.766 1.00 0.00 C ATOM 536 NZ LYS A 38 11.960 4.818 -0.812 1.00 0.00 N ATOM 0 H LYS A 38 7.015 6.266 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 38 8.169 5.083 -5.194 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.825 3.915 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.443 3.051 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.375 4.665 -3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.777 5.388 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.893 3.167 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.485 2.441 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.384 2.835 -1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.476 3.976 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.943 4.965 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.606 5.685 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.370 4.593 0.014 1.00 0.00 H new ATOM 550 N LYS A 39 6.091 3.502 -5.440 1.00 0.00 N ATOM 551 CA LYS A 39 4.794 2.909 -5.658 1.00 0.00 C ATOM 552 C LYS A 39 4.750 1.490 -5.095 1.00 0.00 C ATOM 553 O LYS A 39 5.553 0.620 -5.480 1.00 0.00 O ATOM 554 CB LYS A 39 4.383 2.979 -7.137 1.00 0.00 C ATOM 555 CG LYS A 39 2.979 2.445 -7.426 1.00 0.00 C ATOM 556 CD LYS A 39 2.501 2.796 -8.838 1.00 0.00 C ATOM 557 CE LYS A 39 3.389 2.219 -9.941 1.00 0.00 C ATOM 558 NZ LYS A 39 3.366 0.742 -9.976 1.00 0.00 N ATOM 0 H LYS A 39 6.829 3.190 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 39 4.051 3.491 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.440 4.016 -7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.103 2.414 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.972 1.362 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.280 2.854 -6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.484 2.428 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.464 3.880 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.061 2.607 -10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.414 2.559 -9.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.971 0.404 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.720 0.368 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.391 0.414 -10.129 1.00 0.00 H new ATOM 572 N ASN A 40 3.829 1.270 -4.174 1.00 0.00 N ATOM 573 CA ASN A 40 3.697 -0.012 -3.485 1.00 0.00 C ATOM 574 C ASN A 40 2.842 -0.992 -4.275 1.00 0.00 C ATOM 575 O ASN A 40 2.335 -0.667 -5.354 1.00 0.00 O ATOM 576 CB ASN A 40 3.136 0.149 -2.032 1.00 0.00 C ATOM 577 CG ASN A 40 1.709 0.710 -1.932 1.00 0.00 C ATOM 578 OD1 ASN A 40 0.889 0.545 -2.824 1.00 0.00 O ATOM 579 ND2 ASN A 40 1.399 1.348 -0.835 1.00 0.00 N ATOM 0 H ASN A 40 3.149 1.971 -3.879 1.00 0.00 H new ATOM 0 HA ASN A 40 4.705 -0.420 -3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.160 -0.824 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.805 0.804 -1.473 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.457 1.720 -0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.099 1.474 -0.103 1.00 0.00 H new ATOM 586 N GLN A 41 2.643 -2.168 -3.703 1.00 0.00 N ATOM 587 CA GLN A 41 1.877 -3.255 -4.323 1.00 0.00 C ATOM 588 C GLN A 41 0.384 -2.928 -4.474 1.00 0.00 C ATOM 589 O GLN A 41 -0.312 -3.564 -5.250 1.00 0.00 O ATOM 590 CB GLN A 41 2.036 -4.530 -3.504 1.00 0.00 C ATOM 591 CG GLN A 41 3.464 -5.033 -3.408 1.00 0.00 C ATOM 592 CD GLN A 41 3.570 -6.271 -2.548 1.00 0.00 C ATOM 593 OE1 GLN A 41 3.439 -7.394 -3.033 1.00 0.00 O ATOM 594 NE2 GLN A 41 3.799 -6.091 -1.275 1.00 0.00 N ATOM 0 H GLN A 41 3.011 -2.405 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 41 2.280 -3.391 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.657 -4.352 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.416 -5.311 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.839 -5.252 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.098 -4.249 -2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.903 -5.147 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.874 -6.895 -0.652 1.00 0.00 H new ATOM 603 N TYR A 42 -0.090 -1.925 -3.761 1.00 0.00 N ATOM 604 CA TYR A 42 -1.502 -1.564 -3.800 1.00 0.00 C ATOM 605 C TYR A 42 -1.735 -0.471 -4.838 1.00 0.00 C ATOM 606 O TYR A 42 -2.858 0.028 -5.012 1.00 0.00 O ATOM 607 CB TYR A 42 -1.978 -1.097 -2.414 1.00 0.00 C ATOM 608 CG TYR A 42 -1.733 -2.111 -1.321 1.00 0.00 C ATOM 609 CD1 TYR A 42 -2.488 -3.276 -1.242 1.00 0.00 C ATOM 610 CD2 TYR A 42 -0.737 -1.912 -0.379 1.00 0.00 C ATOM 611 CE1 TYR A 42 -2.251 -4.215 -0.256 1.00 0.00 C ATOM 612 CE2 TYR A 42 -0.498 -2.839 0.610 1.00 0.00 C ATOM 613 CZ TYR A 42 -1.255 -3.992 0.668 1.00 0.00 C ATOM 614 OH TYR A 42 -0.994 -4.943 1.643 1.00 0.00 O ATOM 0 H TYR A 42 0.479 -1.343 -3.146 1.00 0.00 H new ATOM 0 HA TYR A 42 -2.079 -2.445 -4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -1.469 -0.168 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.044 -0.874 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.273 -3.450 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.138 -1.014 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.843 -5.117 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.280 -2.665 1.339 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.261 -4.633 2.215 1.00 0.00 H new ATOM 624 N GLY A 43 -0.669 -0.102 -5.529 1.00 0.00 N ATOM 625 CA GLY A 43 -0.747 0.927 -6.536 1.00 0.00 C ATOM 626 C GLY A 43 -0.829 2.294 -5.913 1.00 0.00 C ATOM 627 O GLY A 43 -1.392 3.221 -6.488 1.00 0.00 O ATOM 0 H GLY A 43 0.260 -0.505 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.128 0.872 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.621 0.758 -7.165 1.00 0.00 H new ATOM 631 N THR A 44 -0.316 2.400 -4.724 1.00 0.00 N ATOM 632 CA THR A 44 -0.298 3.627 -4.000 1.00 0.00 C ATOM 633 C THR A 44 1.122 4.183 -4.027 1.00 0.00 C ATOM 634 O THR A 44 2.090 3.415 -3.945 1.00 0.00 O ATOM 635 CB THR A 44 -0.671 3.351 -2.537 1.00 0.00 C ATOM 636 OG1 THR A 44 -1.839 2.523 -2.477 1.00 0.00 O ATOM 637 CG2 THR A 44 -0.934 4.634 -1.792 1.00 0.00 C ATOM 0 H THR A 44 0.109 1.619 -4.224 1.00 0.00 H new ATOM 0 HA THR A 44 -1.001 4.331 -4.445 1.00 0.00 H new ATOM 0 HB THR A 44 0.170 2.840 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.583 3.034 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.196 4.407 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.039 5.256 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.757 5.168 -2.266 1.00 0.00 H new ATOM 645 N TRP A 45 1.255 5.468 -4.158 1.00 0.00 N ATOM 646 CA TRP A 45 2.554 6.091 -4.084 1.00 0.00 C ATOM 647 C TRP A 45 2.774 6.510 -2.652 1.00 0.00 C ATOM 648 O TRP A 45 1.989 7.264 -2.122 1.00 0.00 O ATOM 649 CB TRP A 45 2.632 7.302 -4.997 1.00 0.00 C ATOM 650 CG TRP A 45 2.510 6.992 -6.458 1.00 0.00 C ATOM 651 CD1 TRP A 45 1.362 6.918 -7.192 1.00 0.00 C ATOM 652 CD2 TRP A 45 3.586 6.731 -7.367 1.00 0.00 C ATOM 653 NE1 TRP A 45 1.656 6.630 -8.497 1.00 0.00 N ATOM 654 CE2 TRP A 45 3.013 6.509 -8.634 1.00 0.00 C ATOM 655 CE3 TRP A 45 4.978 6.665 -7.233 1.00 0.00 C ATOM 656 CZ2 TRP A 45 3.783 6.224 -9.761 1.00 0.00 C ATOM 657 CZ3 TRP A 45 5.740 6.381 -8.351 1.00 0.00 C ATOM 658 CH2 TRP A 45 5.142 6.166 -9.599 1.00 0.00 C ATOM 0 H TRP A 45 0.481 6.113 -4.317 1.00 0.00 H new ATOM 0 HA TRP A 45 3.322 5.389 -4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.842 8.000 -4.720 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.581 7.810 -4.825 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.366 7.065 -6.800 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.974 6.523 -9.247 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.447 6.833 -6.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.325 6.055 -10.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.815 6.324 -8.260 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.767 5.950 -10.453 1.00 0.00 H new ATOM 669 N TYR A 46 3.800 6.010 -2.028 1.00 0.00 N ATOM 670 CA TYR A 46 4.048 6.273 -0.627 1.00 0.00 C ATOM 671 C TYR A 46 5.467 6.774 -0.420 1.00 0.00 C ATOM 672 O TYR A 46 6.372 6.427 -1.180 1.00 0.00 O ATOM 673 CB TYR A 46 3.824 4.988 0.221 1.00 0.00 C ATOM 674 CG TYR A 46 4.884 3.903 0.047 1.00 0.00 C ATOM 675 CD1 TYR A 46 4.910 3.085 -1.072 1.00 0.00 C ATOM 676 CD2 TYR A 46 5.865 3.711 1.013 1.00 0.00 C ATOM 677 CE1 TYR A 46 5.883 2.114 -1.226 1.00 0.00 C ATOM 678 CE2 TYR A 46 6.836 2.740 0.866 1.00 0.00 C ATOM 679 CZ TYR A 46 6.841 1.946 -0.256 1.00 0.00 C ATOM 680 OH TYR A 46 7.817 0.979 -0.413 1.00 0.00 O ATOM 0 H TYR A 46 4.494 5.407 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 46 3.347 7.041 -0.302 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.783 5.269 1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.851 4.568 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.157 3.208 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.868 4.333 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.889 1.489 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.588 2.605 1.629 1.00 0.00 H new ATOM 0 HH TYR A 46 8.417 0.991 0.362 1.00 0.00 H new ATOM 690 N LYS A 47 5.647 7.585 0.573 1.00 0.00 N ATOM 691 CA LYS A 47 6.945 8.036 0.972 1.00 0.00 C ATOM 692 C LYS A 47 7.012 8.051 2.494 1.00 0.00 C ATOM 693 O LYS A 47 6.014 8.373 3.156 1.00 0.00 O ATOM 694 CB LYS A 47 7.276 9.440 0.426 1.00 0.00 C ATOM 695 CG LYS A 47 6.330 10.540 0.869 1.00 0.00 C ATOM 696 CD LYS A 47 6.909 11.905 0.568 1.00 0.00 C ATOM 697 CE LYS A 47 5.964 13.005 0.997 1.00 0.00 C ATOM 698 NZ LYS A 47 6.581 14.340 0.897 1.00 0.00 N ATOM 0 H LYS A 47 4.886 7.959 1.139 1.00 0.00 H new ATOM 0 HA LYS A 47 7.682 7.349 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.287 9.705 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.277 9.399 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.372 10.427 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.137 10.450 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.863 12.020 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.110 11.990 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.068 12.974 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.647 12.829 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.840 15.054 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.094 14.552 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.245 14.356 0.097 1.00 0.00 H new ATOM 712 N PRO A 48 8.136 7.650 3.079 1.00 0.00 N ATOM 713 CA PRO A 48 8.331 7.737 4.517 1.00 0.00 C ATOM 714 C PRO A 48 8.501 9.198 4.943 1.00 0.00 C ATOM 715 O PRO A 48 9.339 9.937 4.371 1.00 0.00 O ATOM 716 CB PRO A 48 9.638 6.969 4.758 1.00 0.00 C ATOM 717 CG PRO A 48 9.930 6.254 3.489 1.00 0.00 C ATOM 718 CD PRO A 48 9.296 7.056 2.407 1.00 0.00 C ATOM 0 HA PRO A 48 7.488 7.336 5.080 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.449 7.650 5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.532 6.268 5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.005 6.166 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.527 5.241 3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.972 7.818 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.999 6.433 1.563 1.00 0.00 H new ATOM 726 N GLU A 49 7.713 9.623 5.904 1.00 0.00 N ATOM 727 CA GLU A 49 7.754 10.983 6.390 1.00 0.00 C ATOM 728 C GLU A 49 7.015 11.031 7.713 1.00 0.00 C ATOM 729 O GLU A 49 5.835 10.690 7.776 1.00 0.00 O ATOM 730 CB GLU A 49 7.107 11.903 5.343 1.00 0.00 C ATOM 731 CG GLU A 49 7.232 13.386 5.609 1.00 0.00 C ATOM 732 CD GLU A 49 6.870 14.183 4.383 1.00 0.00 C ATOM 733 OE1 GLU A 49 7.712 14.270 3.461 1.00 0.00 O ATOM 734 OE2 GLU A 49 5.746 14.718 4.295 1.00 0.00 O ATOM 0 H GLU A 49 7.024 9.034 6.372 1.00 0.00 H new ATOM 0 HA GLU A 49 8.778 11.323 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.552 11.688 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.048 11.653 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.581 13.668 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.252 13.621 5.912 1.00 0.00 H new ATOM 741 N ASN A 50 7.701 11.439 8.754 1.00 0.00 N ATOM 742 CA ASN A 50 7.131 11.416 10.089 1.00 0.00 C ATOM 743 C ASN A 50 6.706 12.813 10.522 1.00 0.00 C ATOM 744 O ASN A 50 7.549 13.685 10.780 1.00 0.00 O ATOM 745 CB ASN A 50 8.139 10.822 11.089 1.00 0.00 C ATOM 746 CG ASN A 50 7.537 10.545 12.458 1.00 0.00 C ATOM 747 OD1 ASN A 50 7.516 11.411 13.339 1.00 0.00 O ATOM 748 ND2 ASN A 50 7.111 9.328 12.672 1.00 0.00 N ATOM 0 H ASN A 50 8.657 11.792 8.707 1.00 0.00 H new ATOM 0 HA ASN A 50 6.243 10.784 10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.540 9.894 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.977 11.510 11.201 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.747 9.069 13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.143 8.637 11.922 1.00 0.00 H new ATOM 755 N ALA A 51 5.419 13.026 10.598 1.00 0.00 N ATOM 756 CA ALA A 51 4.858 14.309 10.989 1.00 0.00 C ATOM 757 C ALA A 51 3.582 14.085 11.786 1.00 0.00 C ATOM 758 O ALA A 51 3.103 12.952 11.870 1.00 0.00 O ATOM 759 CB ALA A 51 4.618 15.196 9.777 1.00 0.00 C ATOM 0 H ALA A 51 4.719 12.314 10.390 1.00 0.00 H new ATOM 0 HA ALA A 51 5.573 14.832 11.624 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.198 16.148 10.101 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.562 15.372 9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.921 14.704 9.098 1.00 0.00 H new ATOM 765 N THR A 52 3.028 15.123 12.347 1.00 0.00 N ATOM 766 CA THR A 52 1.901 14.975 13.230 1.00 0.00 C ATOM 767 C THR A 52 0.601 15.470 12.570 1.00 0.00 C ATOM 768 O THR A 52 0.576 16.523 11.932 1.00 0.00 O ATOM 769 CB THR A 52 2.164 15.772 14.527 1.00 0.00 C ATOM 770 OG1 THR A 52 3.493 15.459 15.010 1.00 0.00 O ATOM 771 CG2 THR A 52 1.152 15.411 15.605 1.00 0.00 C ATOM 0 H THR A 52 3.338 16.085 12.209 1.00 0.00 H new ATOM 0 HA THR A 52 1.778 13.916 13.458 1.00 0.00 H new ATOM 0 HB THR A 52 2.073 16.835 14.305 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.669 15.962 15.832 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.360 15.986 16.507 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.147 15.641 15.252 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.223 14.347 15.829 1.00 0.00 H new ATOM 779 N PHE A 53 -0.450 14.697 12.701 1.00 0.00 N ATOM 780 CA PHE A 53 -1.746 15.082 12.216 1.00 0.00 C ATOM 781 C PHE A 53 -2.662 15.306 13.396 1.00 0.00 C ATOM 782 O PHE A 53 -2.846 14.415 14.241 1.00 0.00 O ATOM 783 CB PHE A 53 -2.336 14.017 11.279 1.00 0.00 C ATOM 784 CG PHE A 53 -3.727 14.333 10.788 1.00 0.00 C ATOM 785 CD1 PHE A 53 -3.945 15.388 9.918 1.00 0.00 C ATOM 786 CD2 PHE A 53 -4.813 13.571 11.198 1.00 0.00 C ATOM 787 CE1 PHE A 53 -5.218 15.679 9.465 1.00 0.00 C ATOM 788 CE2 PHE A 53 -6.087 13.858 10.748 1.00 0.00 C ATOM 789 CZ PHE A 53 -6.291 14.914 9.882 1.00 0.00 C ATOM 0 H PHE A 53 -0.427 13.781 13.149 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.646 16.002 11.640 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.677 13.899 10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.355 13.060 11.800 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.111 15.990 9.590 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.660 12.745 11.876 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.374 16.504 8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.923 13.257 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.287 15.142 9.531 1.00 0.00 H new ATOM 799 N VAL A 54 -3.202 16.478 13.479 1.00 0.00 N ATOM 800 CA VAL A 54 -4.112 16.811 14.533 1.00 0.00 C ATOM 801 C VAL A 54 -5.507 16.908 13.941 1.00 0.00 C ATOM 802 O VAL A 54 -5.820 17.858 13.217 1.00 0.00 O ATOM 803 CB VAL A 54 -3.737 18.156 15.219 1.00 0.00 C ATOM 804 CG1 VAL A 54 -4.637 18.426 16.416 1.00 0.00 C ATOM 805 CG2 VAL A 54 -2.267 18.176 15.635 1.00 0.00 C ATOM 0 H VAL A 54 -3.026 17.235 12.818 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.065 16.035 15.297 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.890 18.952 14.490 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.354 19.372 16.878 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.675 18.479 16.086 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.528 17.621 17.142 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.037 19.129 16.111 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.076 17.364 16.337 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.638 18.049 14.754 1.00 0.00 H new ATOM 815 N ASN A 55 -6.309 15.901 14.173 1.00 0.00 N ATOM 816 CA ASN A 55 -7.676 15.893 13.675 1.00 0.00 C ATOM 817 C ASN A 55 -8.525 16.800 14.530 1.00 0.00 C ATOM 818 O ASN A 55 -8.472 16.719 15.757 1.00 0.00 O ATOM 819 CB ASN A 55 -8.260 14.470 13.666 1.00 0.00 C ATOM 820 CG ASN A 55 -9.730 14.435 13.252 1.00 0.00 C ATOM 821 OD1 ASN A 55 -10.213 15.290 12.507 1.00 0.00 O ATOM 822 ND2 ASN A 55 -10.448 13.461 13.720 1.00 0.00 N ATOM 0 H ASN A 55 -6.046 15.071 14.704 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.673 16.255 12.647 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.680 13.849 12.983 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.157 14.034 14.660 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -11.435 13.391 13.473 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.025 12.766 14.335 1.00 0.00 H new ATOM 829 N GLY A 56 -9.289 17.658 13.914 1.00 0.00 N ATOM 830 CA GLY A 56 -10.103 18.550 14.683 1.00 0.00 C ATOM 831 C GLY A 56 -11.431 18.846 14.050 1.00 0.00 C ATOM 832 O GLY A 56 -12.215 19.616 14.605 1.00 0.00 O ATOM 0 H GLY A 56 -9.364 17.757 12.902 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.268 18.118 15.670 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.563 19.485 14.831 1.00 0.00 H new ATOM 836 N ASN A 57 -11.717 18.233 12.919 1.00 0.00 N ATOM 837 CA ASN A 57 -12.951 18.554 12.219 1.00 0.00 C ATOM 838 C ASN A 57 -14.072 17.613 12.596 1.00 0.00 C ATOM 839 O ASN A 57 -15.144 18.052 13.001 1.00 0.00 O ATOM 840 CB ASN A 57 -12.751 18.560 10.695 1.00 0.00 C ATOM 841 CG ASN A 57 -13.985 19.020 9.919 1.00 0.00 C ATOM 842 OD1 ASN A 57 -14.807 18.102 9.476 1.00 0.00 O flip ATOM 843 ND2 ASN A 57 -14.165 20.204 9.683 1.00 0.00 N flip ATOM 0 H ASN A 57 -11.132 17.528 12.472 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.235 19.559 12.531 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.913 19.212 10.449 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.480 17.556 10.368 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.510 20.900 10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.970 20.497 9.130 1.00 0.00 H new ATOM 850 N GLN A 58 -13.825 16.326 12.501 1.00 0.00 N ATOM 851 CA GLN A 58 -14.873 15.338 12.701 1.00 0.00 C ATOM 852 C GLN A 58 -14.241 14.003 13.039 1.00 0.00 C ATOM 853 O GLN A 58 -13.022 13.885 12.989 1.00 0.00 O ATOM 854 CB GLN A 58 -15.639 15.162 11.378 1.00 0.00 C ATOM 855 CG GLN A 58 -14.771 14.609 10.252 1.00 0.00 C ATOM 856 CD GLN A 58 -15.557 14.250 9.030 1.00 0.00 C ATOM 857 OE1 GLN A 58 -15.758 15.075 8.148 1.00 0.00 O ATOM 858 NE2 GLN A 58 -16.008 13.027 8.965 1.00 0.00 N ATOM 0 H GLN A 58 -12.908 15.934 12.286 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.536 15.665 13.502 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -16.483 14.492 11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.050 16.124 11.073 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.015 15.348 9.987 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.242 13.726 10.609 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.817 12.372 9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.552 12.726 8.156 1.00 0.00 H new ATOM 867 N PRO A 59 -15.031 12.994 13.428 1.00 0.00 N ATOM 868 CA PRO A 59 -14.541 11.641 13.478 1.00 0.00 C ATOM 869 C PRO A 59 -14.308 11.179 12.036 1.00 0.00 C ATOM 870 O PRO A 59 -15.225 11.219 11.198 1.00 0.00 O ATOM 871 CB PRO A 59 -15.687 10.840 14.118 1.00 0.00 C ATOM 872 CG PRO A 59 -16.604 11.852 14.701 1.00 0.00 C ATOM 873 CD PRO A 59 -16.429 13.093 13.884 1.00 0.00 C ATOM 0 HA PRO A 59 -13.612 11.524 14.035 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.200 10.228 13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.311 10.163 14.885 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -17.637 11.506 14.668 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.364 12.038 15.748 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -17.126 13.126 13.046 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -16.598 13.993 14.475 1.00 0.00 H new ATOM 881 N ILE A 60 -13.112 10.792 11.738 1.00 0.00 N ATOM 882 CA ILE A 60 -12.760 10.434 10.395 1.00 0.00 C ATOM 883 C ILE A 60 -12.585 8.939 10.313 1.00 0.00 C ATOM 884 O ILE A 60 -11.807 8.357 11.071 1.00 0.00 O ATOM 885 CB ILE A 60 -11.426 11.105 9.950 1.00 0.00 C ATOM 886 CG1 ILE A 60 -11.482 12.627 10.130 1.00 0.00 C ATOM 887 CG2 ILE A 60 -11.123 10.764 8.494 1.00 0.00 C ATOM 888 CD1 ILE A 60 -10.182 13.331 9.784 1.00 0.00 C ATOM 0 H ILE A 60 -12.351 10.714 12.412 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.560 10.777 9.738 1.00 0.00 H new ATOM 0 HB ILE A 60 -10.629 10.716 10.583 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.280 13.029 9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.743 12.852 11.164 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.188 11.239 8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.032 9.683 8.385 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -11.932 11.126 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.298 14.404 9.936 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -9.384 12.958 10.426 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.929 13.137 8.742 1.00 0.00 H new ATOM 900 N VAL A 61 -13.321 8.309 9.436 1.00 0.00 N ATOM 901 CA VAL A 61 -13.141 6.904 9.228 1.00 0.00 C ATOM 902 C VAL A 61 -11.933 6.689 8.326 1.00 0.00 C ATOM 903 O VAL A 61 -11.703 7.430 7.359 1.00 0.00 O ATOM 904 CB VAL A 61 -14.397 6.187 8.674 1.00 0.00 C ATOM 905 CG1 VAL A 61 -15.579 6.374 9.604 1.00 0.00 C ATOM 906 CG2 VAL A 61 -14.729 6.654 7.284 1.00 0.00 C ATOM 0 H VAL A 61 -14.043 8.744 8.861 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.967 6.447 10.202 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.172 5.122 8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -16.449 5.862 9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -15.341 5.958 10.583 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -15.798 7.437 9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -15.616 6.130 6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -14.922 7.727 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.891 6.444 6.620 1.00 0.00 H new ATOM 916 N THR A 62 -11.183 5.715 8.653 1.00 0.00 N ATOM 917 CA THR A 62 -9.931 5.443 8.026 1.00 0.00 C ATOM 918 C THR A 62 -9.971 4.070 7.358 1.00 0.00 C ATOM 919 O THR A 62 -11.016 3.389 7.387 1.00 0.00 O ATOM 920 CB THR A 62 -8.799 5.496 9.090 1.00 0.00 C ATOM 921 OG1 THR A 62 -9.071 4.549 10.128 1.00 0.00 O ATOM 922 CG2 THR A 62 -8.705 6.879 9.723 1.00 0.00 C ATOM 0 H THR A 62 -11.422 5.053 9.391 1.00 0.00 H new ATOM 0 HA THR A 62 -9.735 6.194 7.261 1.00 0.00 H new ATOM 0 HB THR A 62 -7.859 5.264 8.589 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.908 4.788 10.578 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.905 6.887 10.463 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.492 7.619 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.650 7.122 10.208 1.00 0.00 H new ATOM 930 N ARG A 63 -8.888 3.694 6.720 1.00 0.00 N ATOM 931 CA ARG A 63 -8.777 2.394 6.109 1.00 0.00 C ATOM 932 C ARG A 63 -7.692 1.607 6.802 1.00 0.00 C ATOM 933 O ARG A 63 -6.620 2.136 7.104 1.00 0.00 O ATOM 934 CB ARG A 63 -8.512 2.479 4.613 1.00 0.00 C ATOM 935 CG ARG A 63 -9.617 3.152 3.820 1.00 0.00 C ATOM 936 CD ARG A 63 -10.972 2.507 4.064 1.00 0.00 C ATOM 937 NE ARG A 63 -12.009 3.089 3.210 1.00 0.00 N ATOM 938 CZ ARG A 63 -12.798 4.117 3.544 1.00 0.00 C ATOM 939 NH1 ARG A 63 -12.678 4.715 4.726 1.00 0.00 N ATOM 940 NH2 ARG A 63 -13.700 4.546 2.688 1.00 0.00 N ATOM 0 H ARG A 63 -8.061 4.281 6.611 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.733 1.883 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.582 3.023 4.451 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.364 1.471 4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.665 4.207 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.380 3.105 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.904 1.435 3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.251 2.630 5.111 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.141 2.678 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.977 4.391 5.393 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.287 5.497 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.794 4.096 1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.305 5.329 2.935 1.00 0.00 H new ATOM 954 N ILE A 64 -7.974 0.373 7.057 1.00 0.00 N ATOM 955 CA ILE A 64 -7.098 -0.475 7.822 1.00 0.00 C ATOM 956 C ILE A 64 -6.213 -1.341 6.914 1.00 0.00 C ATOM 957 O ILE A 64 -6.721 -2.072 6.053 1.00 0.00 O ATOM 958 CB ILE A 64 -7.945 -1.385 8.758 1.00 0.00 C ATOM 959 CG1 ILE A 64 -8.869 -0.521 9.636 1.00 0.00 C ATOM 960 CG2 ILE A 64 -7.045 -2.258 9.628 1.00 0.00 C ATOM 961 CD1 ILE A 64 -9.834 -1.314 10.489 1.00 0.00 C ATOM 0 H ILE A 64 -8.827 -0.088 6.740 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.442 0.162 8.415 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.557 -2.043 8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.255 0.103 10.286 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.438 0.151 8.994 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.660 -2.885 10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.426 -2.890 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.405 -1.623 10.241 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.447 -0.630 11.076 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -10.476 -1.917 9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.275 -1.967 11.160 1.00 0.00 H new ATOM 973 N GLY A 65 -4.900 -1.195 7.063 1.00 0.00 N ATOM 974 CA GLY A 65 -3.933 -2.060 6.393 1.00 0.00 C ATOM 975 C GLY A 65 -3.685 -1.769 4.914 1.00 0.00 C ATOM 976 O GLY A 65 -2.708 -2.249 4.345 1.00 0.00 O ATOM 0 H GLY A 65 -4.477 -0.476 7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.983 -1.986 6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.272 -3.092 6.488 1.00 0.00 H new ATOM 980 N SER A 66 -4.554 -1.034 4.275 1.00 0.00 N ATOM 981 CA SER A 66 -4.378 -0.717 2.873 1.00 0.00 C ATOM 982 C SER A 66 -5.038 0.610 2.549 1.00 0.00 C ATOM 983 O SER A 66 -6.116 0.900 3.064 1.00 0.00 O ATOM 984 CB SER A 66 -4.999 -1.821 1.995 1.00 0.00 C ATOM 985 OG SER A 66 -4.402 -3.091 2.245 1.00 0.00 O ATOM 0 H SER A 66 -5.394 -0.640 4.698 1.00 0.00 H new ATOM 0 HA SER A 66 -3.310 -0.650 2.667 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.071 -1.879 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.876 -1.562 0.943 1.00 0.00 H new ATOM 0 HG SER A 66 -3.829 -3.338 1.489 1.00 0.00 H new ATOM 991 N PRO A 67 -4.390 1.467 1.753 1.00 0.00 N ATOM 992 CA PRO A 67 -5.016 2.674 1.296 1.00 0.00 C ATOM 993 C PRO A 67 -5.756 2.437 -0.035 1.00 0.00 C ATOM 994 O PRO A 67 -5.153 2.070 -1.046 1.00 0.00 O ATOM 995 CB PRO A 67 -3.833 3.632 1.103 1.00 0.00 C ATOM 996 CG PRO A 67 -2.620 2.757 0.911 1.00 0.00 C ATOM 997 CD PRO A 67 -3.005 1.341 1.273 1.00 0.00 C ATOM 0 HA PRO A 67 -5.766 3.057 1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.990 4.277 0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.712 4.283 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.274 2.806 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.798 3.101 1.539 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.939 0.676 0.412 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.350 0.933 2.043 1.00 0.00 H new ATOM 1005 N PHE A 68 -7.046 2.660 0.007 1.00 0.00 N ATOM 1006 CA PHE A 68 -8.004 2.550 -1.096 1.00 0.00 C ATOM 1007 C PHE A 68 -9.265 3.160 -0.568 1.00 0.00 C ATOM 1008 O PHE A 68 -9.368 3.385 0.639 1.00 0.00 O ATOM 1009 CB PHE A 68 -8.375 1.083 -1.488 1.00 0.00 C ATOM 1010 CG PHE A 68 -7.314 0.212 -2.097 1.00 0.00 C ATOM 1011 CD1 PHE A 68 -7.000 0.327 -3.439 1.00 0.00 C ATOM 1012 CD2 PHE A 68 -6.655 -0.744 -1.340 1.00 0.00 C ATOM 1013 CE1 PHE A 68 -6.048 -0.487 -4.012 1.00 0.00 C ATOM 1014 CE2 PHE A 68 -5.707 -1.561 -1.910 1.00 0.00 C ATOM 1015 CZ PHE A 68 -5.401 -1.432 -3.248 1.00 0.00 C ATOM 0 H PHE A 68 -7.501 2.946 0.874 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.565 3.020 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.739 0.583 -0.591 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -9.209 1.128 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.507 1.064 -4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.889 -0.848 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.809 -0.384 -5.060 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.202 -2.303 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.655 -2.071 -3.696 1.00 0.00 H new ATOM 1025 N LEU A 69 -10.216 3.397 -1.411 1.00 0.00 N ATOM 1026 CA LEU A 69 -11.520 3.821 -0.951 1.00 0.00 C ATOM 1027 C LEU A 69 -12.315 2.591 -0.546 1.00 0.00 C ATOM 1028 O LEU A 69 -13.088 2.617 0.413 1.00 0.00 O ATOM 1029 CB LEU A 69 -12.284 4.650 -2.013 1.00 0.00 C ATOM 1030 CG LEU A 69 -11.853 6.123 -2.221 1.00 0.00 C ATOM 1031 CD1 LEU A 69 -11.975 6.913 -0.930 1.00 0.00 C ATOM 1032 CD2 LEU A 69 -10.448 6.245 -2.805 1.00 0.00 C ATOM 0 H LEU A 69 -10.126 3.308 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.386 4.481 -0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.193 4.135 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.341 4.644 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.537 6.550 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.666 7.944 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.010 6.897 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.336 6.466 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.196 7.298 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.731 5.779 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.412 5.746 -3.773 1.00 0.00 H new ATOM 1044 N ASN A 70 -12.044 1.495 -1.233 1.00 0.00 N ATOM 1045 CA ASN A 70 -12.712 0.208 -1.017 1.00 0.00 C ATOM 1046 C ASN A 70 -11.921 -0.703 -0.079 1.00 0.00 C ATOM 1047 O ASN A 70 -12.171 -1.905 0.000 1.00 0.00 O ATOM 1048 CB ASN A 70 -12.979 -0.527 -2.350 1.00 0.00 C ATOM 1049 CG ASN A 70 -11.751 -0.702 -3.254 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -10.882 0.180 -3.349 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -11.661 -1.829 -3.906 1.00 0.00 N ATOM 0 H ASN A 70 -11.342 1.466 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.667 0.439 -0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.391 -1.512 -2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.743 0.021 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.861 -2.004 -4.514 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.391 -2.535 -3.808 1.00 0.00 H new ATOM 1058 N ALA A 71 -10.999 -0.119 0.647 1.00 0.00 N ATOM 1059 CA ALA A 71 -10.201 -0.850 1.630 1.00 0.00 C ATOM 1060 C ALA A 71 -11.037 -1.044 2.903 1.00 0.00 C ATOM 1061 O ALA A 71 -12.057 -0.349 3.065 1.00 0.00 O ATOM 1062 CB ALA A 71 -8.937 -0.069 1.946 1.00 0.00 C ATOM 0 H ALA A 71 -10.773 0.873 0.582 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.918 -1.824 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.345 -0.617 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.354 0.064 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.204 0.907 2.352 1.00 0.00 H new ATOM 1068 N PRO A 72 -10.651 -1.987 3.811 1.00 0.00 N ATOM 1069 CA PRO A 72 -11.400 -2.238 5.051 1.00 0.00 C ATOM 1070 C PRO A 72 -11.594 -0.969 5.883 1.00 0.00 C ATOM 1071 O PRO A 72 -10.625 -0.283 6.257 1.00 0.00 O ATOM 1072 CB PRO A 72 -10.517 -3.234 5.809 1.00 0.00 C ATOM 1073 CG PRO A 72 -9.753 -3.931 4.747 1.00 0.00 C ATOM 1074 CD PRO A 72 -9.492 -2.902 3.690 1.00 0.00 C ATOM 0 HA PRO A 72 -12.406 -2.605 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.853 -2.725 6.507 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.117 -3.933 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.819 -4.335 5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.320 -4.770 4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.549 -2.382 3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.435 -3.350 2.698 1.00 0.00 H new ATOM 1082 N VAL A 73 -12.835 -0.661 6.133 1.00 0.00 N ATOM 1083 CA VAL A 73 -13.233 0.498 6.895 1.00 0.00 C ATOM 1084 C VAL A 73 -13.665 0.044 8.313 1.00 0.00 C ATOM 1085 O VAL A 73 -13.779 -1.164 8.567 1.00 0.00 O ATOM 1086 CB VAL A 73 -14.372 1.275 6.134 1.00 0.00 C ATOM 1087 CG1 VAL A 73 -15.647 0.460 6.018 1.00 0.00 C ATOM 1088 CG2 VAL A 73 -14.646 2.658 6.714 1.00 0.00 C ATOM 0 H VAL A 73 -13.622 -1.221 5.806 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.399 1.191 7.006 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.992 1.433 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -16.402 1.039 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.442 -0.460 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -16.014 0.215 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.441 3.140 6.145 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.953 2.562 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.741 3.262 6.657 1.00 0.00 H new ATOM 1098 N GLY A 74 -13.928 0.983 9.203 1.00 0.00 N ATOM 1099 CA GLY A 74 -14.320 0.656 10.561 1.00 0.00 C ATOM 1100 C GLY A 74 -13.360 1.224 11.567 1.00 0.00 C ATOM 1101 O GLY A 74 -13.642 1.264 12.771 1.00 0.00 O ATOM 0 H GLY A 74 -13.877 1.983 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.321 1.042 10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.369 -0.427 10.675 1.00 0.00 H new ATOM 1105 N GLY A 75 -12.224 1.662 11.085 1.00 0.00 N ATOM 1106 CA GLY A 75 -11.302 2.362 11.928 1.00 0.00 C ATOM 1107 C GLY A 75 -11.719 3.806 11.989 1.00 0.00 C ATOM 1108 O GLY A 75 -11.623 4.512 10.996 1.00 0.00 O ATOM 0 H GLY A 75 -11.921 1.545 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.295 1.926 12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.289 2.276 11.536 1.00 0.00 H new ATOM 1112 N ASN A 76 -12.224 4.240 13.099 1.00 0.00 N ATOM 1113 CA ASN A 76 -12.719 5.604 13.208 1.00 0.00 C ATOM 1114 C ASN A 76 -11.836 6.410 14.126 1.00 0.00 C ATOM 1115 O ASN A 76 -11.612 6.027 15.276 1.00 0.00 O ATOM 1116 CB ASN A 76 -14.178 5.612 13.699 1.00 0.00 C ATOM 1117 CG ASN A 76 -14.790 7.012 13.841 1.00 0.00 C ATOM 1118 OD1 ASN A 76 -15.363 7.560 12.894 1.00 0.00 O ATOM 1119 ND2 ASN A 76 -14.712 7.577 15.021 1.00 0.00 N ATOM 0 H ASN A 76 -12.311 3.683 13.949 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.694 6.064 12.220 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.786 5.032 13.005 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.227 5.108 14.664 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.131 8.494 15.176 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.232 7.100 15.784 1.00 0.00 H new ATOM 1126 N LEU A 77 -11.323 7.493 13.618 1.00 0.00 N ATOM 1127 CA LEU A 77 -10.463 8.369 14.368 1.00 0.00 C ATOM 1128 C LEU A 77 -11.296 9.543 14.881 1.00 0.00 C ATOM 1129 O LEU A 77 -11.809 10.321 14.085 1.00 0.00 O ATOM 1130 CB LEU A 77 -9.336 8.880 13.456 1.00 0.00 C ATOM 1131 CG LEU A 77 -8.242 9.716 14.120 1.00 0.00 C ATOM 1132 CD1 LEU A 77 -7.461 8.875 15.117 1.00 0.00 C ATOM 1133 CD2 LEU A 77 -7.313 10.309 13.071 1.00 0.00 C ATOM 0 H LEU A 77 -11.491 7.799 12.659 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.020 7.837 15.210 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.865 8.019 12.981 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.785 9.476 12.662 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.714 10.536 14.661 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.686 9.486 15.580 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.137 8.501 15.886 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.999 8.034 14.600 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.541 10.901 13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.847 9.505 12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.885 10.947 12.397 1.00 0.00 H new ATOM 1145 N PRO A 78 -11.474 9.673 16.202 1.00 0.00 N ATOM 1146 CA PRO A 78 -12.288 10.751 16.781 1.00 0.00 C ATOM 1147 C PRO A 78 -11.648 12.135 16.604 1.00 0.00 C ATOM 1148 O PRO A 78 -10.436 12.254 16.326 1.00 0.00 O ATOM 1149 CB PRO A 78 -12.372 10.380 18.265 1.00 0.00 C ATOM 1150 CG PRO A 78 -11.157 9.557 18.519 1.00 0.00 C ATOM 1151 CD PRO A 78 -10.898 8.798 17.247 1.00 0.00 C ATOM 0 HA PRO A 78 -13.260 10.830 16.294 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.387 11.269 18.895 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.282 9.820 18.482 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.306 10.187 18.778 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.315 8.876 19.355 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.833 8.631 17.089 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -11.376 7.818 17.259 1.00 0.00 H new ATOM 1159 N ALA A 79 -12.452 13.170 16.745 1.00 0.00 N ATOM 1160 CA ALA A 79 -11.972 14.525 16.617 1.00 0.00 C ATOM 1161 C ALA A 79 -11.199 14.898 17.862 1.00 0.00 C ATOM 1162 O ALA A 79 -11.580 14.522 18.969 1.00 0.00 O ATOM 1163 CB ALA A 79 -13.123 15.494 16.386 1.00 0.00 C ATOM 0 H ALA A 79 -13.448 13.093 16.950 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.314 14.588 15.751 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.732 16.507 16.293 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.649 15.223 15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.813 15.447 17.228 1.00 0.00 H new ATOM 1169 N GLY A 80 -10.107 15.591 17.681 1.00 0.00 N ATOM 1170 CA GLY A 80 -9.279 15.967 18.792 1.00 0.00 C ATOM 1171 C GLY A 80 -8.136 15.004 18.964 1.00 0.00 C ATOM 1172 O GLY A 80 -7.373 15.086 19.935 1.00 0.00 O ATOM 0 H GLY A 80 -9.770 15.907 16.771 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.891 16.973 18.636 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.877 15.993 19.703 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.016 14.086 18.035 1.00 0.00 N ATOM 1177 CA ALA A 81 -6.987 13.092 18.093 1.00 0.00 C ATOM 1178 C ALA A 81 -5.701 13.598 17.477 1.00 0.00 C ATOM 1179 O ALA A 81 -5.695 14.131 16.359 1.00 0.00 O ATOM 1180 CB ALA A 81 -7.431 11.809 17.422 1.00 0.00 C ATOM 0 H ALA A 81 -8.629 14.012 17.223 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.796 12.878 19.145 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.630 11.072 17.481 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.317 11.423 17.925 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.665 12.008 16.376 1.00 0.00 H new ATOM 1186 N THR A 82 -4.638 13.461 18.214 1.00 0.00 N ATOM 1187 CA THR A 82 -3.331 13.828 17.761 1.00 0.00 C ATOM 1188 C THR A 82 -2.588 12.545 17.409 1.00 0.00 C ATOM 1189 O THR A 82 -2.279 11.743 18.289 1.00 0.00 O ATOM 1190 CB THR A 82 -2.586 14.576 18.877 1.00 0.00 C ATOM 1191 OG1 THR A 82 -3.398 15.677 19.317 1.00 0.00 O ATOM 1192 CG2 THR A 82 -1.250 15.104 18.381 1.00 0.00 C ATOM 0 H THR A 82 -4.657 13.085 19.162 1.00 0.00 H new ATOM 0 HA THR A 82 -3.394 14.483 16.892 1.00 0.00 H new ATOM 0 HB THR A 82 -2.398 13.886 19.699 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.933 16.161 20.031 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.743 15.629 19.191 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.632 14.271 18.045 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.416 15.791 17.551 1.00 0.00 H new ATOM 1200 N ILE A 83 -2.351 12.331 16.145 1.00 0.00 N ATOM 1201 CA ILE A 83 -1.734 11.106 15.693 1.00 0.00 C ATOM 1202 C ILE A 83 -0.514 11.418 14.845 1.00 0.00 C ATOM 1203 O ILE A 83 -0.576 12.254 13.945 1.00 0.00 O ATOM 1204 CB ILE A 83 -2.742 10.248 14.862 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -3.969 9.832 15.704 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -2.071 9.025 14.270 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -3.655 8.946 16.904 1.00 0.00 C ATOM 0 H ILE A 83 -2.576 12.992 15.401 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.431 10.536 16.571 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.092 10.877 14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.471 10.733 16.058 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.673 9.308 15.058 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.800 8.451 13.699 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.260 9.338 13.613 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.670 8.406 15.072 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.578 8.707 17.432 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.184 8.024 16.562 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.978 9.472 17.577 1.00 0.00 H new ATOM 1219 N VAL A 84 0.584 10.781 15.145 1.00 0.00 N ATOM 1220 CA VAL A 84 1.769 10.945 14.355 1.00 0.00 C ATOM 1221 C VAL A 84 1.751 9.915 13.215 1.00 0.00 C ATOM 1222 O VAL A 84 1.395 8.739 13.422 1.00 0.00 O ATOM 1223 CB VAL A 84 3.084 10.828 15.215 1.00 0.00 C ATOM 1224 CG1 VAL A 84 3.286 9.432 15.802 1.00 0.00 C ATOM 1225 CG2 VAL A 84 4.307 11.263 14.424 1.00 0.00 C ATOM 0 H VAL A 84 0.681 10.142 15.934 1.00 0.00 H new ATOM 0 HA VAL A 84 1.773 11.952 13.939 1.00 0.00 H new ATOM 0 HB VAL A 84 2.958 11.510 16.056 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.207 9.412 16.384 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.444 9.183 16.447 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.351 8.703 14.994 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.196 11.169 15.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.414 10.631 13.543 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.189 12.301 14.114 1.00 0.00 H new ATOM 1235 N TYR A 85 2.051 10.359 12.028 1.00 0.00 N ATOM 1236 CA TYR A 85 2.110 9.482 10.889 1.00 0.00 C ATOM 1237 C TYR A 85 3.540 9.331 10.459 1.00 0.00 C ATOM 1238 O TYR A 85 4.345 10.237 10.672 1.00 0.00 O ATOM 1239 CB TYR A 85 1.196 9.950 9.735 1.00 0.00 C ATOM 1240 CG TYR A 85 1.395 11.380 9.253 1.00 0.00 C ATOM 1241 CD1 TYR A 85 2.343 11.693 8.287 1.00 0.00 C ATOM 1242 CD2 TYR A 85 0.607 12.410 9.748 1.00 0.00 C ATOM 1243 CE1 TYR A 85 2.499 12.989 7.838 1.00 0.00 C ATOM 1244 CE2 TYR A 85 0.755 13.706 9.298 1.00 0.00 C ATOM 1245 CZ TYR A 85 1.697 13.992 8.346 1.00 0.00 C ATOM 1246 OH TYR A 85 1.850 15.291 7.901 1.00 0.00 O ATOM 0 H TYR A 85 2.261 11.335 11.821 1.00 0.00 H new ATOM 0 HA TYR A 85 1.725 8.505 11.180 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.344 9.280 8.888 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.159 9.837 10.053 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.967 10.911 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.137 12.193 10.500 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.246 13.218 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.130 14.492 9.695 1.00 0.00 H new ATOM 0 HH TYR A 85 1.207 15.872 8.359 1.00 0.00 H new ATOM 1256 N ASP A 86 3.864 8.206 9.879 1.00 0.00 N ATOM 1257 CA ASP A 86 5.252 7.918 9.544 1.00 0.00 C ATOM 1258 C ASP A 86 5.384 7.595 8.062 1.00 0.00 C ATOM 1259 O ASP A 86 6.480 7.374 7.533 1.00 0.00 O ATOM 1260 CB ASP A 86 5.727 6.743 10.409 1.00 0.00 C ATOM 1261 CG ASP A 86 7.217 6.523 10.379 1.00 0.00 C ATOM 1262 OD1 ASP A 86 7.948 7.311 11.006 1.00 0.00 O ATOM 1263 OD2 ASP A 86 7.683 5.505 9.811 1.00 0.00 O ATOM 0 H ASP A 86 3.200 7.474 9.627 1.00 0.00 H new ATOM 0 HA ASP A 86 5.874 8.790 9.745 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.416 6.915 11.440 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.229 5.833 10.073 1.00 0.00 H new ATOM 1268 N GLU A 87 4.269 7.625 7.385 1.00 0.00 N ATOM 1269 CA GLU A 87 4.201 7.286 5.999 1.00 0.00 C ATOM 1270 C GLU A 87 3.136 8.149 5.344 1.00 0.00 C ATOM 1271 O GLU A 87 2.062 8.331 5.896 1.00 0.00 O ATOM 1272 CB GLU A 87 3.872 5.792 5.891 1.00 0.00 C ATOM 1273 CG GLU A 87 3.761 5.222 4.491 1.00 0.00 C ATOM 1274 CD GLU A 87 3.679 3.718 4.537 1.00 0.00 C ATOM 1275 OE1 GLU A 87 2.584 3.160 4.683 1.00 0.00 O ATOM 1276 OE2 GLU A 87 4.741 3.061 4.490 1.00 0.00 O ATOM 0 H GLU A 87 3.372 7.890 7.791 1.00 0.00 H new ATOM 0 HA GLU A 87 5.146 7.470 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.640 5.234 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.929 5.612 6.408 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.877 5.625 3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.624 5.527 3.899 1.00 0.00 H new ATOM 1283 N VAL A 88 3.452 8.724 4.225 1.00 0.00 N ATOM 1284 CA VAL A 88 2.513 9.550 3.491 1.00 0.00 C ATOM 1285 C VAL A 88 2.316 8.913 2.139 1.00 0.00 C ATOM 1286 O VAL A 88 3.293 8.609 1.465 1.00 0.00 O ATOM 1287 CB VAL A 88 3.048 11.000 3.308 1.00 0.00 C ATOM 1288 CG1 VAL A 88 2.031 11.869 2.588 1.00 0.00 C ATOM 1289 CG2 VAL A 88 3.405 11.621 4.648 1.00 0.00 C ATOM 0 H VAL A 88 4.368 8.640 3.785 1.00 0.00 H new ATOM 0 HA VAL A 88 1.576 9.616 4.044 1.00 0.00 H new ATOM 0 HB VAL A 88 3.950 10.943 2.699 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.430 12.877 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.823 11.447 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.109 11.908 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.776 12.634 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.519 11.653 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.176 11.022 5.132 1.00 0.00 H new ATOM 1299 N CYS A 89 1.093 8.686 1.746 1.00 0.00 N ATOM 1300 CA CYS A 89 0.843 8.011 0.505 1.00 0.00 C ATOM 1301 C CYS A 89 -0.355 8.588 -0.247 1.00 0.00 C ATOM 1302 O CYS A 89 -1.307 9.037 0.353 1.00 0.00 O ATOM 1303 CB CYS A 89 0.655 6.519 0.773 1.00 0.00 C ATOM 1304 SG CYS A 89 -0.643 6.128 1.954 1.00 0.00 S ATOM 0 H CYS A 89 0.258 8.957 2.265 1.00 0.00 H new ATOM 0 HA CYS A 89 1.707 8.163 -0.141 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.433 6.019 -0.170 1.00 0.00 H new ATOM 0 HB3 CYS A 89 1.596 6.107 1.138 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.044 7.219 2.535 1.00 0.00 H new ATOM 1310 N ILE A 90 -0.282 8.593 -1.552 1.00 0.00 N ATOM 1311 CA ILE A 90 -1.380 9.030 -2.379 1.00 0.00 C ATOM 1312 C ILE A 90 -2.016 7.830 -3.043 1.00 0.00 C ATOM 1313 O ILE A 90 -1.359 7.094 -3.799 1.00 0.00 O ATOM 1314 CB ILE A 90 -0.979 10.070 -3.493 1.00 0.00 C ATOM 1315 CG1 ILE A 90 -0.507 11.397 -2.877 1.00 0.00 C ATOM 1316 CG2 ILE A 90 -2.154 10.325 -4.457 1.00 0.00 C ATOM 1317 CD1 ILE A 90 -0.126 12.458 -3.909 1.00 0.00 C ATOM 0 H ILE A 90 0.542 8.294 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.074 9.540 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.151 9.640 -4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.298 11.792 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.353 11.203 -2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.852 11.046 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.439 9.390 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.003 10.720 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.196 13.365 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.687 12.085 -4.532 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.989 12.683 -4.536 1.00 0.00 H new ATOM 1329 N GLN A 91 -3.250 7.609 -2.717 1.00 0.00 N ATOM 1330 CA GLN A 91 -4.063 6.637 -3.378 1.00 0.00 C ATOM 1331 C GLN A 91 -5.160 7.450 -3.965 1.00 0.00 C ATOM 1332 O GLN A 91 -5.926 8.068 -3.208 1.00 0.00 O ATOM 1333 CB GLN A 91 -4.615 5.579 -2.406 1.00 0.00 C ATOM 1334 CG GLN A 91 -5.567 4.559 -3.035 1.00 0.00 C ATOM 1335 CD GLN A 91 -4.916 3.682 -4.104 1.00 0.00 C ATOM 1336 OE1 GLN A 91 -4.890 4.023 -5.291 1.00 0.00 O ATOM 1337 NE2 GLN A 91 -4.422 2.540 -3.702 1.00 0.00 N ATOM 0 H GLN A 91 -3.731 8.109 -1.969 1.00 0.00 H new ATOM 0 HA GLN A 91 -3.504 6.065 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.776 5.044 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -5.136 6.088 -1.595 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -5.969 3.919 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.411 5.089 -3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.459 2.288 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.000 1.902 -4.376 1.00 0.00 H new ATOM 1346 N ALA A 92 -5.249 7.438 -5.277 1.00 0.00 N ATOM 1347 CA ALA A 92 -6.081 8.361 -6.035 1.00 0.00 C ATOM 1348 C ALA A 92 -7.495 8.463 -5.492 1.00 0.00 C ATOM 1349 O ALA A 92 -8.294 7.522 -5.550 1.00 0.00 O ATOM 1350 CB ALA A 92 -6.091 7.957 -7.487 1.00 0.00 C ATOM 0 H ALA A 92 -4.738 6.777 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.645 9.355 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.714 8.649 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.074 7.981 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.492 6.948 -7.581 1.00 0.00 H new ATOM 1356 N GLY A 93 -7.760 9.622 -4.928 1.00 0.00 N ATOM 1357 CA GLY A 93 -8.998 9.904 -4.292 1.00 0.00 C ATOM 1358 C GLY A 93 -8.752 10.767 -3.081 1.00 0.00 C ATOM 1359 O GLY A 93 -9.448 11.758 -2.839 1.00 0.00 O ATOM 0 H GLY A 93 -7.099 10.399 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.668 10.413 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.488 8.976 -3.998 1.00 0.00 H new ATOM 1363 N HIS A 94 -7.722 10.420 -2.339 1.00 0.00 N ATOM 1364 CA HIS A 94 -7.337 11.127 -1.118 1.00 0.00 C ATOM 1365 C HIS A 94 -5.858 10.940 -0.894 1.00 0.00 C ATOM 1366 O HIS A 94 -5.231 10.100 -1.541 1.00 0.00 O ATOM 1367 CB HIS A 94 -8.090 10.584 0.133 1.00 0.00 C ATOM 1368 CG HIS A 94 -9.562 10.899 0.215 1.00 0.00 C ATOM 1369 ND1 HIS A 94 -10.545 10.074 -0.284 1.00 0.00 N ATOM 1370 CD2 HIS A 94 -10.215 11.948 0.770 1.00 0.00 C ATOM 1371 CE1 HIS A 94 -11.727 10.600 -0.042 1.00 0.00 C ATOM 1372 NE2 HIS A 94 -11.558 11.735 0.594 1.00 0.00 N ATOM 0 H HIS A 94 -7.116 9.631 -2.562 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.595 12.178 -1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -7.970 9.501 0.161 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.605 10.982 1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.761 12.796 1.261 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.677 10.169 -0.320 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.304 12.357 0.906 1.00 0.00 H new ATOM 1381 N ILE A 95 -5.297 11.718 -0.027 1.00 0.00 N ATOM 1382 CA ILE A 95 -3.950 11.486 0.383 1.00 0.00 C ATOM 1383 C ILE A 95 -4.057 10.774 1.717 1.00 0.00 C ATOM 1384 O ILE A 95 -4.816 11.180 2.572 1.00 0.00 O ATOM 1385 CB ILE A 95 -3.093 12.800 0.457 1.00 0.00 C ATOM 1386 CG1 ILE A 95 -1.637 12.490 0.853 1.00 0.00 C ATOM 1387 CG2 ILE A 95 -3.706 13.826 1.397 1.00 0.00 C ATOM 1388 CD1 ILE A 95 -0.722 13.702 0.850 1.00 0.00 C ATOM 0 H ILE A 95 -5.750 12.520 0.411 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.414 10.881 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.089 13.238 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.629 12.045 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.236 11.744 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.081 14.719 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -4.704 14.090 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.773 13.406 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.284 13.399 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.697 14.136 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.096 14.442 1.558 1.00 0.00 H new ATOM 1400 N TRP A 96 -3.389 9.698 1.858 1.00 0.00 N ATOM 1401 CA TRP A 96 -3.559 8.875 3.011 1.00 0.00 C ATOM 1402 C TRP A 96 -2.317 8.897 3.844 1.00 0.00 C ATOM 1403 O TRP A 96 -1.198 8.800 3.323 1.00 0.00 O ATOM 1404 CB TRP A 96 -3.887 7.432 2.594 1.00 0.00 C ATOM 1405 CG TRP A 96 -5.079 7.316 1.682 1.00 0.00 C ATOM 1406 CD1 TRP A 96 -5.088 7.514 0.340 1.00 0.00 C ATOM 1407 CD2 TRP A 96 -6.420 6.970 2.043 1.00 0.00 C ATOM 1408 NE1 TRP A 96 -6.348 7.336 -0.163 1.00 0.00 N ATOM 1409 CE2 TRP A 96 -7.186 6.995 0.859 1.00 0.00 C ATOM 1410 CE3 TRP A 96 -7.047 6.646 3.243 1.00 0.00 C ATOM 1411 CZ2 TRP A 96 -8.545 6.710 0.846 1.00 0.00 C ATOM 1412 CZ3 TRP A 96 -8.396 6.364 3.228 1.00 0.00 C ATOM 1413 CH2 TRP A 96 -9.132 6.397 2.038 1.00 0.00 C ATOM 0 H TRP A 96 -2.706 9.353 1.184 1.00 0.00 H new ATOM 0 HA TRP A 96 -4.389 9.266 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -3.018 7.002 2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.068 6.838 3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -4.222 7.776 -0.249 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -6.617 7.441 -1.141 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -6.488 6.616 4.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -9.115 6.735 -0.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.895 6.113 4.152 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.188 6.170 2.063 1.00 0.00 H new ATOM 1424 N ILE A 97 -2.484 9.050 5.112 1.00 0.00 N ATOM 1425 CA ILE A 97 -1.362 8.998 6.000 1.00 0.00 C ATOM 1426 C ILE A 97 -1.308 7.631 6.655 1.00 0.00 C ATOM 1427 O ILE A 97 -2.320 7.131 7.168 1.00 0.00 O ATOM 1428 CB ILE A 97 -1.373 10.112 7.088 1.00 0.00 C ATOM 1429 CG1 ILE A 97 -2.638 10.028 7.958 1.00 0.00 C ATOM 1430 CG2 ILE A 97 -1.251 11.487 6.434 1.00 0.00 C ATOM 1431 CD1 ILE A 97 -2.621 10.917 9.181 1.00 0.00 C ATOM 0 H ILE A 97 -3.384 9.212 5.563 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.471 9.174 5.398 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.515 9.960 7.742 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.502 10.290 7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.775 8.995 8.278 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.260 12.258 7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -0.317 11.543 5.875 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.089 11.643 5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.552 10.793 9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.781 10.643 9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.518 11.958 8.873 1.00 0.00 H new ATOM 1443 N GLY A 98 -0.168 7.023 6.589 1.00 0.00 N ATOM 1444 CA GLY A 98 0.031 5.755 7.186 1.00 0.00 C ATOM 1445 C GLY A 98 0.599 5.937 8.549 1.00 0.00 C ATOM 1446 O GLY A 98 1.717 6.466 8.714 1.00 0.00 O ATOM 0 H GLY A 98 0.653 7.400 6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.914 5.215 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.706 5.155 6.576 1.00 0.00 H new ATOM 1450 N TYR A 99 -0.149 5.561 9.525 1.00 0.00 N ATOM 1451 CA TYR A 99 0.273 5.712 10.868 1.00 0.00 C ATOM 1452 C TYR A 99 0.161 4.405 11.577 1.00 0.00 C ATOM 1453 O TYR A 99 -0.453 3.461 11.067 1.00 0.00 O ATOM 1454 CB TYR A 99 -0.529 6.804 11.595 1.00 0.00 C ATOM 1455 CG TYR A 99 -2.023 6.545 11.753 1.00 0.00 C ATOM 1456 CD1 TYR A 99 -2.931 6.966 10.795 1.00 0.00 C ATOM 1457 CD2 TYR A 99 -2.521 5.908 12.889 1.00 0.00 C ATOM 1458 CE1 TYR A 99 -4.285 6.763 10.961 1.00 0.00 C ATOM 1459 CE2 TYR A 99 -3.872 5.696 13.055 1.00 0.00 C ATOM 1460 CZ TYR A 99 -4.750 6.129 12.090 1.00 0.00 C ATOM 1461 OH TYR A 99 -6.102 5.935 12.263 1.00 0.00 O ATOM 0 H TYR A 99 -1.071 5.140 9.413 1.00 0.00 H new ATOM 0 HA TYR A 99 1.316 6.030 10.868 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.098 6.944 12.586 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.398 7.742 11.056 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.573 7.461 9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.835 5.575 13.653 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.979 7.101 10.206 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -4.239 5.193 13.937 1.00 0.00 H new ATOM 0 HH TYR A 99 -6.260 5.472 13.112 1.00 0.00 H new ATOM 1471 N ASN A 100 0.739 4.341 12.724 1.00 0.00 N ATOM 1472 CA ASN A 100 0.693 3.149 13.504 1.00 0.00 C ATOM 1473 C ASN A 100 -0.218 3.413 14.661 1.00 0.00 C ATOM 1474 O ASN A 100 -0.108 4.457 15.313 1.00 0.00 O ATOM 1475 CB ASN A 100 2.088 2.755 14.013 1.00 0.00 C ATOM 1476 CG ASN A 100 3.144 2.756 12.918 1.00 0.00 C ATOM 1477 OD1 ASN A 100 3.336 1.768 12.205 1.00 0.00 O ATOM 1478 ND2 ASN A 100 3.861 3.848 12.800 1.00 0.00 N ATOM 0 H ASN A 100 1.257 5.110 13.150 1.00 0.00 H new ATOM 0 HA ASN A 100 0.330 2.321 12.894 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.389 3.445 14.801 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.038 1.762 14.461 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.603 3.898 12.102 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.676 4.647 13.406 1.00 0.00 H new ATOM 1485 N ALA A 101 -1.153 2.541 14.873 1.00 0.00 N ATOM 1486 CA ALA A 101 -2.062 2.668 15.980 1.00 0.00 C ATOM 1487 C ALA A 101 -1.397 2.163 17.253 1.00 0.00 C ATOM 1488 O ALA A 101 -0.276 1.637 17.208 1.00 0.00 O ATOM 1489 CB ALA A 101 -3.350 1.909 15.698 1.00 0.00 C ATOM 0 H ALA A 101 -1.312 1.721 14.288 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.316 3.719 16.116 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.028 2.015 16.545 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.822 2.314 14.803 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.124 0.854 15.544 1.00 0.00 H new ATOM 1495 N TYR A 102 -2.098 2.289 18.368 1.00 0.00 N ATOM 1496 CA TYR A 102 -1.608 1.886 19.699 1.00 0.00 C ATOM 1497 C TYR A 102 -1.177 0.409 19.736 1.00 0.00 C ATOM 1498 O TYR A 102 -0.322 0.024 20.525 1.00 0.00 O ATOM 1499 CB TYR A 102 -2.715 2.124 20.763 1.00 0.00 C ATOM 1500 CG TYR A 102 -3.940 1.230 20.595 1.00 0.00 C ATOM 1501 CD1 TYR A 102 -4.937 1.538 19.680 1.00 0.00 C ATOM 1502 CD2 TYR A 102 -4.072 0.055 21.334 1.00 0.00 C ATOM 1503 CE1 TYR A 102 -6.026 0.710 19.507 1.00 0.00 C ATOM 1504 CE2 TYR A 102 -5.153 -0.782 21.160 1.00 0.00 C ATOM 1505 CZ TYR A 102 -6.127 -0.453 20.247 1.00 0.00 C ATOM 1506 OH TYR A 102 -7.211 -1.294 20.066 1.00 0.00 O ATOM 0 H TYR A 102 -3.040 2.679 18.386 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.733 2.496 19.921 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.293 1.961 21.755 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.030 3.167 20.718 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.859 2.441 19.094 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -3.312 -0.204 22.057 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -6.797 0.969 18.796 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.235 -1.691 21.737 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.128 -2.067 20.662 1.00 0.00 H new ATOM 1516 N ASN A 103 -1.777 -0.391 18.872 1.00 0.00 N ATOM 1517 CA ASN A 103 -1.560 -1.829 18.833 1.00 0.00 C ATOM 1518 C ASN A 103 -0.666 -2.221 17.663 1.00 0.00 C ATOM 1519 O ASN A 103 -0.565 -3.397 17.312 1.00 0.00 O ATOM 1520 CB ASN A 103 -2.916 -2.559 18.746 1.00 0.00 C ATOM 1521 CG ASN A 103 -3.699 -2.276 17.466 1.00 0.00 C ATOM 1522 OD1 ASN A 103 -3.537 -1.223 16.837 1.00 0.00 O ATOM 1523 ND2 ASN A 103 -4.585 -3.173 17.117 1.00 0.00 N ATOM 0 H ASN A 103 -2.437 -0.058 18.169 1.00 0.00 H new ATOM 0 HA ASN A 103 -1.052 -2.126 19.751 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.743 -3.632 18.823 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.526 -2.272 19.603 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.174 -3.017 16.299 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.687 -4.028 17.663 1.00 0.00 H new ATOM 1530 N GLY A 104 -0.029 -1.232 17.061 1.00 0.00 N ATOM 1531 CA GLY A 104 0.891 -1.488 15.973 1.00 0.00 C ATOM 1532 C GLY A 104 0.199 -1.764 14.658 1.00 0.00 C ATOM 1533 O GLY A 104 0.768 -2.406 13.776 1.00 0.00 O ATOM 0 H GLY A 104 -0.133 -0.248 17.308 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.551 -0.629 15.855 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.520 -2.340 16.231 1.00 0.00 H new ATOM 1537 N ASN A 105 -1.031 -1.323 14.534 1.00 0.00 N ATOM 1538 CA ASN A 105 -1.785 -1.508 13.300 1.00 0.00 C ATOM 1539 C ASN A 105 -1.451 -0.359 12.353 1.00 0.00 C ATOM 1540 O ASN A 105 -1.425 0.801 12.773 1.00 0.00 O ATOM 1541 CB ASN A 105 -3.302 -1.534 13.595 1.00 0.00 C ATOM 1542 CG ASN A 105 -4.173 -1.987 12.415 1.00 0.00 C ATOM 1543 OD1 ASN A 105 -3.826 -1.828 11.252 1.00 0.00 O ATOM 1544 ND2 ASN A 105 -5.316 -2.543 12.718 1.00 0.00 N ATOM 0 H ASN A 105 -1.538 -0.832 15.270 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.515 -2.459 12.841 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.483 -2.198 14.440 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.617 -0.536 13.900 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.943 -2.856 11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -5.581 -2.664 13.696 1.00 0.00 H new ATOM 1551 N ARG A 106 -1.160 -0.682 11.117 1.00 0.00 N ATOM 1552 CA ARG A 106 -0.827 0.294 10.106 1.00 0.00 C ATOM 1553 C ARG A 106 -2.138 0.791 9.498 1.00 0.00 C ATOM 1554 O ARG A 106 -2.749 0.121 8.660 1.00 0.00 O ATOM 1555 CB ARG A 106 0.042 -0.378 9.032 1.00 0.00 C ATOM 1556 CG ARG A 106 0.785 0.549 8.074 1.00 0.00 C ATOM 1557 CD ARG A 106 1.869 1.345 8.787 1.00 0.00 C ATOM 1558 NE ARG A 106 2.841 1.919 7.839 1.00 0.00 N ATOM 1559 CZ ARG A 106 4.127 2.190 8.131 1.00 0.00 C ATOM 1560 NH1 ARG A 106 4.580 2.077 9.386 1.00 0.00 N ATOM 1561 NH2 ARG A 106 4.961 2.570 7.173 1.00 0.00 N ATOM 0 H ARG A 106 -1.147 -1.644 10.779 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.271 1.132 10.528 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.776 -1.009 9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.595 -1.037 8.442 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.233 -0.039 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.077 1.235 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.410 2.146 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.389 0.698 9.494 1.00 0.00 H new ATOM 0 HE ARG A 106 2.516 2.126 6.894 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.949 1.783 10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.556 2.285 9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.629 2.658 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.935 2.775 7.396 1.00 0.00 H new ATOM 1575 N VAL A 107 -2.594 1.916 9.957 1.00 0.00 N ATOM 1576 CA VAL A 107 -3.872 2.435 9.532 1.00 0.00 C ATOM 1577 C VAL A 107 -3.642 3.650 8.641 1.00 0.00 C ATOM 1578 O VAL A 107 -2.664 4.385 8.831 1.00 0.00 O ATOM 1579 CB VAL A 107 -4.759 2.819 10.757 1.00 0.00 C ATOM 1580 CG1 VAL A 107 -6.169 3.179 10.328 1.00 0.00 C ATOM 1581 CG2 VAL A 107 -4.797 1.698 11.788 1.00 0.00 C ATOM 0 H VAL A 107 -2.101 2.501 10.631 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.400 1.663 8.973 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.304 3.696 11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.760 3.441 11.205 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.136 4.028 9.645 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -6.625 2.326 9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.423 1.998 12.628 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.209 0.798 11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.786 1.495 12.143 1.00 0.00 H new ATOM 1591 N TYR A 108 -4.510 3.844 7.674 1.00 0.00 N ATOM 1592 CA TYR A 108 -4.391 4.929 6.733 1.00 0.00 C ATOM 1593 C TYR A 108 -5.581 5.879 6.849 1.00 0.00 C ATOM 1594 O TYR A 108 -6.737 5.463 6.714 1.00 0.00 O ATOM 1595 CB TYR A 108 -4.261 4.377 5.303 1.00 0.00 C ATOM 1596 CG TYR A 108 -2.977 3.600 5.051 1.00 0.00 C ATOM 1597 CD1 TYR A 108 -2.883 2.237 5.327 1.00 0.00 C ATOM 1598 CD2 TYR A 108 -1.860 4.235 4.539 1.00 0.00 C ATOM 1599 CE1 TYR A 108 -1.706 1.540 5.096 1.00 0.00 C ATOM 1600 CE2 TYR A 108 -0.685 3.547 4.304 1.00 0.00 C ATOM 1601 CZ TYR A 108 -0.610 2.205 4.584 1.00 0.00 C ATOM 1602 OH TYR A 108 0.571 1.517 4.343 1.00 0.00 O ATOM 0 H TYR A 108 -5.323 3.248 7.519 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.490 5.497 6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.112 3.728 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.315 5.207 4.598 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -3.740 1.715 5.727 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.907 5.291 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.648 0.484 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.173 4.064 3.901 1.00 0.00 H new ATOM 0 HH TYR A 108 1.333 2.121 4.466 1.00 0.00 H new ATOM 1612 N CYS A 109 -5.300 7.133 7.129 1.00 0.00 N ATOM 1613 CA CYS A 109 -6.336 8.153 7.265 1.00 0.00 C ATOM 1614 C CYS A 109 -6.407 8.987 5.985 1.00 0.00 C ATOM 1615 O CYS A 109 -5.371 9.369 5.454 1.00 0.00 O ATOM 1616 CB CYS A 109 -6.062 9.046 8.493 1.00 0.00 C ATOM 1617 SG CYS A 109 -7.284 10.350 8.801 1.00 0.00 S ATOM 0 H CYS A 109 -4.352 7.481 7.270 1.00 0.00 H new ATOM 0 HA CYS A 109 -7.299 7.666 7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.005 8.410 9.377 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -5.084 9.511 8.371 1.00 0.00 H new ATOM 0 HG CYS A 109 -6.941 11.025 9.858 1.00 0.00 H new ATOM 1623 N PRO A 110 -7.638 9.260 5.473 1.00 0.00 N ATOM 1624 CA PRO A 110 -7.846 9.990 4.207 1.00 0.00 C ATOM 1625 C PRO A 110 -7.489 11.480 4.256 1.00 0.00 C ATOM 1626 O PRO A 110 -7.402 12.090 3.211 1.00 0.00 O ATOM 1627 CB PRO A 110 -9.343 9.814 3.933 1.00 0.00 C ATOM 1628 CG PRO A 110 -9.946 9.596 5.270 1.00 0.00 C ATOM 1629 CD PRO A 110 -8.923 8.839 6.070 1.00 0.00 C ATOM 0 HA PRO A 110 -7.189 9.595 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.763 10.695 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.528 8.967 3.272 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -10.189 10.545 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.875 9.031 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.975 9.091 7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.069 7.762 5.991 1.00 0.00 H new ATOM 1637 N VAL A 111 -7.356 12.032 5.491 1.00 0.00 N ATOM 1638 CA VAL A 111 -6.937 13.450 5.839 1.00 0.00 C ATOM 1639 C VAL A 111 -7.518 14.636 5.000 1.00 0.00 C ATOM 1640 O VAL A 111 -8.075 15.584 5.574 1.00 0.00 O ATOM 1641 CB VAL A 111 -5.412 13.608 6.076 1.00 0.00 C ATOM 1642 CG1 VAL A 111 -4.971 12.727 7.211 1.00 0.00 C ATOM 1643 CG2 VAL A 111 -4.597 13.311 4.835 1.00 0.00 C ATOM 0 H VAL A 111 -7.545 11.483 6.330 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.458 13.564 6.790 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.233 14.652 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.899 12.846 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.505 13.009 8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.189 11.687 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.537 13.437 5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.782 12.285 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.885 13.997 4.038 1.00 0.00 H new ATOM 1653 N ARG A 112 -7.344 14.605 3.692 1.00 0.00 N ATOM 1654 CA ARG A 112 -7.899 15.577 2.785 1.00 0.00 C ATOM 1655 C ARG A 112 -8.068 14.926 1.412 1.00 0.00 C ATOM 1656 O ARG A 112 -7.314 14.007 1.045 1.00 0.00 O ATOM 1657 CB ARG A 112 -7.039 16.861 2.646 1.00 0.00 C ATOM 1658 CG ARG A 112 -5.715 16.692 1.927 1.00 0.00 C ATOM 1659 CD ARG A 112 -5.151 18.038 1.485 1.00 0.00 C ATOM 1660 NE ARG A 112 -4.766 18.911 2.594 1.00 0.00 N ATOM 1661 CZ ARG A 112 -5.110 20.203 2.732 1.00 0.00 C ATOM 1662 NH1 ARG A 112 -6.008 20.763 1.922 1.00 0.00 N ATOM 1663 NH2 ARG A 112 -4.577 20.927 3.706 1.00 0.00 N ATOM 0 H ARG A 112 -6.797 13.882 3.224 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.857 15.892 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -7.625 17.613 2.117 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -6.842 17.254 3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.002 16.194 2.585 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.850 16.048 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -4.281 17.866 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.894 18.550 0.874 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.185 18.503 3.327 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.445 20.210 1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -6.259 21.745 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.908 20.503 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.836 21.908 3.813 1.00 0.00 H new ATOM 1677 N THR A 113 -9.057 15.360 0.681 1.00 0.00 N ATOM 1678 CA THR A 113 -9.299 14.868 -0.662 1.00 0.00 C ATOM 1679 C THR A 113 -8.140 15.296 -1.586 1.00 0.00 C ATOM 1680 O THR A 113 -7.673 16.443 -1.501 1.00 0.00 O ATOM 1681 CB THR A 113 -10.634 15.437 -1.163 1.00 0.00 C ATOM 1682 OG1 THR A 113 -11.636 15.181 -0.163 1.00 0.00 O ATOM 1683 CG2 THR A 113 -11.063 14.789 -2.472 1.00 0.00 C ATOM 0 H THR A 113 -9.724 16.066 0.993 1.00 0.00 H new ATOM 0 HA THR A 113 -9.352 13.779 -0.663 1.00 0.00 H new ATOM 0 HB THR A 113 -10.515 16.506 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.497 15.539 -0.464 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.012 15.217 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 113 -10.304 14.970 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 113 -11.180 13.715 -2.325 1.00 0.00 H new ATOM 1691 N CYS A 114 -7.649 14.378 -2.415 1.00 0.00 N ATOM 1692 CA CYS A 114 -6.539 14.661 -3.313 1.00 0.00 C ATOM 1693 C CYS A 114 -6.591 13.831 -4.575 1.00 0.00 C ATOM 1694 O CYS A 114 -6.664 12.601 -4.533 1.00 0.00 O ATOM 1695 CB CYS A 114 -5.167 14.485 -2.631 1.00 0.00 C ATOM 1696 SG CYS A 114 -4.799 15.733 -1.385 1.00 0.00 S ATOM 0 H CYS A 114 -8.008 13.425 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 114 -6.652 15.710 -3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.128 13.500 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -4.389 14.508 -3.394 1.00 0.00 H new ATOM 0 HG CYS A 114 -5.886 16.379 -1.084 1.00 0.00 H new ATOM 1702 N GLN A 115 -6.567 14.517 -5.675 1.00 0.00 N ATOM 1703 CA GLN A 115 -6.492 13.924 -6.982 1.00 0.00 C ATOM 1704 C GLN A 115 -5.124 14.254 -7.517 1.00 0.00 C ATOM 1705 O GLN A 115 -4.548 15.263 -7.112 1.00 0.00 O ATOM 1706 CB GLN A 115 -7.554 14.541 -7.893 1.00 0.00 C ATOM 1707 CG GLN A 115 -8.987 14.232 -7.501 1.00 0.00 C ATOM 1708 CD GLN A 115 -9.343 12.772 -7.690 1.00 0.00 C ATOM 1709 OE1 GLN A 115 -9.183 11.944 -6.786 1.00 0.00 O ATOM 1710 NE2 GLN A 115 -9.841 12.443 -8.848 1.00 0.00 N ATOM 0 H GLN A 115 -6.600 15.536 -5.693 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.660 12.848 -6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -7.420 15.623 -7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -7.387 14.190 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.141 14.507 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -9.663 14.846 -8.096 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -9.960 13.152 -9.572 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -10.112 11.477 -9.031 1.00 0.00 H new ATOM 1719 N GLY A 116 -4.574 13.438 -8.366 1.00 0.00 N ATOM 1720 CA GLY A 116 -3.297 13.791 -8.918 1.00 0.00 C ATOM 1721 C GLY A 116 -2.315 12.666 -8.951 1.00 0.00 C ATOM 1722 O GLY A 116 -2.655 11.509 -8.669 1.00 0.00 O ATOM 0 H GLY A 116 -4.970 12.554 -8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -3.442 14.163 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.875 14.610 -8.336 1.00 0.00 H new ATOM 1726 N VAL A 117 -1.098 13.015 -9.282 1.00 0.00 N ATOM 1727 CA VAL A 117 0.006 12.099 -9.404 1.00 0.00 C ATOM 1728 C VAL A 117 1.189 12.785 -8.756 1.00 0.00 C ATOM 1729 O VAL A 117 1.451 13.951 -9.068 1.00 0.00 O ATOM 1730 CB VAL A 117 0.361 11.801 -10.905 1.00 0.00 C ATOM 1731 CG1 VAL A 117 1.536 10.833 -11.021 1.00 0.00 C ATOM 1732 CG2 VAL A 117 -0.838 11.252 -11.661 1.00 0.00 C ATOM 0 H VAL A 117 -0.840 13.981 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.249 11.148 -8.936 1.00 0.00 H new ATOM 0 HB VAL A 117 0.650 12.751 -11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.754 10.650 -12.073 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.413 11.266 -10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.281 9.892 -10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -0.557 11.057 -12.696 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.169 10.325 -11.194 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.649 11.980 -11.636 1.00 0.00 H new ATOM 1742 N PRO A 118 1.872 12.111 -7.811 1.00 0.00 N ATOM 1743 CA PRO A 118 3.035 12.663 -7.108 1.00 0.00 C ATOM 1744 C PRO A 118 4.043 13.331 -8.057 1.00 0.00 C ATOM 1745 O PRO A 118 4.346 12.797 -9.130 1.00 0.00 O ATOM 1746 CB PRO A 118 3.658 11.438 -6.466 1.00 0.00 C ATOM 1747 CG PRO A 118 2.513 10.543 -6.205 1.00 0.00 C ATOM 1748 CD PRO A 118 1.555 10.747 -7.341 1.00 0.00 C ATOM 0 HA PRO A 118 2.749 13.445 -6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 118 4.387 10.969 -7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 118 4.181 11.694 -5.545 1.00 0.00 H new ATOM 0 HG2 PRO A 118 2.836 9.503 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.042 10.781 -5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.700 10.006 -8.128 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.519 10.665 -7.013 1.00 0.00 H new ATOM 1756 N PRO A 119 4.577 14.498 -7.685 1.00 0.00 N ATOM 1757 CA PRO A 119 4.279 15.144 -6.410 1.00 0.00 C ATOM 1758 C PRO A 119 3.025 16.040 -6.442 1.00 0.00 C ATOM 1759 O PRO A 119 2.462 16.353 -5.379 1.00 0.00 O ATOM 1760 CB PRO A 119 5.530 15.988 -6.164 1.00 0.00 C ATOM 1761 CG PRO A 119 6.042 16.338 -7.530 1.00 0.00 C ATOM 1762 CD PRO A 119 5.549 15.269 -8.479 1.00 0.00 C ATOM 0 HA PRO A 119 4.058 14.412 -5.633 1.00 0.00 H new ATOM 0 HB2 PRO A 119 5.294 16.884 -5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 119 6.275 15.432 -5.595 1.00 0.00 H new ATOM 0 HG2 PRO A 119 5.682 17.320 -7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 119 7.131 16.383 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 119 5.084 15.705 -9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 119 6.367 14.639 -8.828 1.00 0.00 H new ATOM 1770 N ASN A 120 2.549 16.386 -7.644 1.00 0.00 N ATOM 1771 CA ASN A 120 1.455 17.356 -7.774 1.00 0.00 C ATOM 1772 C ASN A 120 0.116 16.741 -7.413 1.00 0.00 C ATOM 1773 O ASN A 120 -0.501 15.996 -8.193 1.00 0.00 O ATOM 1774 CB ASN A 120 1.399 17.950 -9.200 1.00 0.00 C ATOM 1775 CG ASN A 120 0.266 18.971 -9.398 1.00 0.00 C ATOM 1776 OD1 ASN A 120 -0.133 19.682 -8.469 1.00 0.00 O ATOM 1777 ND2 ASN A 120 -0.257 19.047 -10.604 1.00 0.00 N ATOM 0 H ASN A 120 2.898 16.016 -8.528 1.00 0.00 H new ATOM 0 HA ASN A 120 1.660 18.162 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.352 18.430 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.275 17.139 -9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -1.013 19.706 -10.792 1.00 0.00 H new ATOM 0 HD22 ASN A 120 0.094 18.447 -11.351 1.00 0.00 H new ATOM 1784 N HIS A 121 -0.299 17.025 -6.218 1.00 0.00 N ATOM 1785 CA HIS A 121 -1.578 16.605 -5.722 1.00 0.00 C ATOM 1786 C HIS A 121 -2.519 17.788 -5.664 1.00 0.00 C ATOM 1787 O HIS A 121 -2.103 18.881 -5.276 1.00 0.00 O ATOM 1788 CB HIS A 121 -1.454 15.884 -4.359 1.00 0.00 C ATOM 1789 CG HIS A 121 -0.877 16.699 -3.229 1.00 0.00 C ATOM 1790 ND1 HIS A 121 0.477 16.926 -3.068 1.00 0.00 N ATOM 1791 CD2 HIS A 121 -1.483 17.321 -2.191 1.00 0.00 C ATOM 1792 CE1 HIS A 121 0.667 17.646 -1.980 1.00 0.00 C ATOM 1793 NE2 HIS A 121 -0.503 17.894 -1.438 1.00 0.00 N ATOM 0 H HIS A 121 0.248 17.564 -5.547 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.998 15.873 -6.412 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.444 15.538 -4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.834 14.998 -4.495 1.00 0.00 H new ATOM 0 HD1 HIS A 121 1.211 16.590 -3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.545 17.356 -1.996 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.622 17.976 -1.599 1.00 0.00 H new ATOM 1802 N ILE A 122 -3.744 17.589 -6.051 1.00 0.00 N ATOM 1803 CA ILE A 122 -4.755 18.622 -5.968 1.00 0.00 C ATOM 1804 C ILE A 122 -5.430 18.495 -4.602 1.00 0.00 C ATOM 1805 O ILE A 122 -6.134 17.513 -4.350 1.00 0.00 O ATOM 1806 CB ILE A 122 -5.826 18.464 -7.090 1.00 0.00 C ATOM 1807 CG1 ILE A 122 -5.167 18.411 -8.490 1.00 0.00 C ATOM 1808 CG2 ILE A 122 -6.866 19.587 -7.025 1.00 0.00 C ATOM 1809 CD1 ILE A 122 -4.328 19.626 -8.849 1.00 0.00 C ATOM 0 H ILE A 122 -4.080 16.706 -6.436 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.287 19.598 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 122 -6.339 17.517 -6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -4.537 17.523 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -5.950 18.294 -9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -7.600 19.450 -7.820 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -7.369 19.562 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.370 20.550 -7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -3.908 19.497 -9.847 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -4.954 20.518 -8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -3.519 19.736 -8.127 1.00 0.00 H new ATOM 1821 N PRO A 123 -5.181 19.439 -3.688 1.00 0.00 N ATOM 1822 CA PRO A 123 -5.713 19.378 -2.344 1.00 0.00 C ATOM 1823 C PRO A 123 -7.134 19.943 -2.220 1.00 0.00 C ATOM 1824 O PRO A 123 -7.409 21.086 -2.600 1.00 0.00 O ATOM 1825 CB PRO A 123 -4.720 20.219 -1.540 1.00 0.00 C ATOM 1826 CG PRO A 123 -4.174 21.219 -2.510 1.00 0.00 C ATOM 1827 CD PRO A 123 -4.359 20.652 -3.899 1.00 0.00 C ATOM 0 HA PRO A 123 -5.810 18.349 -1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -5.211 20.712 -0.701 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -3.925 19.599 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -4.694 22.172 -2.412 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -3.119 21.410 -2.311 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -4.859 21.363 -4.556 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -3.402 20.410 -4.361 1.00 0.00 H new ATOM 1835 N GLY A 124 -8.027 19.130 -1.717 1.00 0.00 N ATOM 1836 CA GLY A 124 -9.372 19.565 -1.464 1.00 0.00 C ATOM 1837 C GLY A 124 -9.540 20.007 -0.025 1.00 0.00 C ATOM 1838 O GLY A 124 -8.680 20.722 0.517 1.00 0.00 O ATOM 0 H GLY A 124 -7.843 18.157 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.623 20.389 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.067 18.754 -1.682 1.00 0.00 H new ATOM 1842 N VAL A 125 -10.607 19.573 0.595 1.00 0.00 N ATOM 1843 CA VAL A 125 -10.917 19.918 1.973 1.00 0.00 C ATOM 1844 C VAL A 125 -10.141 19.026 2.933 1.00 0.00 C ATOM 1845 O VAL A 125 -10.139 17.796 2.779 1.00 0.00 O ATOM 1846 CB VAL A 125 -12.451 19.777 2.242 1.00 0.00 C ATOM 1847 CG1 VAL A 125 -12.795 19.975 3.717 1.00 0.00 C ATOM 1848 CG2 VAL A 125 -13.225 20.767 1.389 1.00 0.00 C ATOM 0 H VAL A 125 -11.298 18.963 0.159 1.00 0.00 H new ATOM 0 HA VAL A 125 -10.624 20.955 2.138 1.00 0.00 H new ATOM 0 HB VAL A 125 -12.738 18.761 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.871 19.868 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -12.275 19.227 4.315 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -12.485 20.971 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.292 20.660 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -12.911 21.782 1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -13.028 20.571 0.335 1.00 0.00 H new ATOM 1858 N ALA A 126 -9.427 19.652 3.852 1.00 0.00 N ATOM 1859 CA ALA A 126 -8.723 18.950 4.904 1.00 0.00 C ATOM 1860 C ALA A 126 -9.597 18.884 6.130 1.00 0.00 C ATOM 1861 O ALA A 126 -10.348 19.819 6.409 1.00 0.00 O ATOM 1862 CB ALA A 126 -7.429 19.654 5.245 1.00 0.00 C ATOM 0 H ALA A 126 -9.320 20.666 3.887 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.489 17.943 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.916 19.109 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.792 19.693 4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.644 20.668 5.582 1.00 0.00 H new ATOM 1868 N TRP A 127 -9.501 17.814 6.866 1.00 0.00 N ATOM 1869 CA TRP A 127 -10.299 17.665 8.067 1.00 0.00 C ATOM 1870 C TRP A 127 -9.427 17.744 9.329 1.00 0.00 C ATOM 1871 O TRP A 127 -9.849 17.364 10.427 1.00 0.00 O ATOM 1872 CB TRP A 127 -11.099 16.353 8.013 1.00 0.00 C ATOM 1873 CG TRP A 127 -12.037 16.282 6.835 1.00 0.00 C ATOM 1874 CD1 TRP A 127 -13.174 17.013 6.648 1.00 0.00 C ATOM 1875 CD2 TRP A 127 -11.916 15.432 5.685 1.00 0.00 C ATOM 1876 NE1 TRP A 127 -13.757 16.682 5.451 1.00 0.00 N ATOM 1877 CE2 TRP A 127 -13.005 15.713 4.843 1.00 0.00 C ATOM 1878 CE3 TRP A 127 -10.992 14.465 5.288 1.00 0.00 C ATOM 1879 CZ2 TRP A 127 -13.193 15.065 3.624 1.00 0.00 C ATOM 1880 CZ3 TRP A 127 -11.177 13.822 4.081 1.00 0.00 C ATOM 1881 CH2 TRP A 127 -12.268 14.125 3.263 1.00 0.00 C ATOM 0 H TRP A 127 -8.882 17.029 6.663 1.00 0.00 H new ATOM 0 HA TRP A 127 -11.007 18.492 8.117 1.00 0.00 H new ATOM 0 HB2 TRP A 127 -10.406 15.513 7.969 1.00 0.00 H new ATOM 0 HB3 TRP A 127 -11.672 16.246 8.934 1.00 0.00 H new ATOM 0 HD1 TRP A 127 -13.559 17.746 7.342 1.00 0.00 H new ATOM 0 HE1 TRP A 127 -14.612 17.092 5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 127 -10.146 14.224 5.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 -14.036 15.296 2.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 -10.467 13.073 3.764 1.00 0.00 H new ATOM 0 HH2 TRP A 127 -12.384 13.605 2.324 1.00 0.00 H new ATOM 1892 N GLY A 128 -8.240 18.285 9.185 1.00 0.00 N ATOM 1893 CA GLY A 128 -7.362 18.398 10.311 1.00 0.00 C ATOM 1894 C GLY A 128 -6.202 19.318 10.037 1.00 0.00 C ATOM 1895 O GLY A 128 -6.131 19.952 8.968 1.00 0.00 O ATOM 0 H GLY A 128 -7.869 18.648 8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -7.922 18.767 11.170 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -6.985 17.410 10.577 1.00 0.00 H new ATOM 1899 N VAL A 129 -5.286 19.360 10.968 1.00 0.00 N ATOM 1900 CA VAL A 129 -4.118 20.205 10.891 1.00 0.00 C ATOM 1901 C VAL A 129 -2.900 19.321 10.705 1.00 0.00 C ATOM 1902 O VAL A 129 -2.736 18.324 11.417 1.00 0.00 O ATOM 1903 CB VAL A 129 -3.936 21.042 12.198 1.00 0.00 C ATOM 1904 CG1 VAL A 129 -2.740 21.983 12.094 1.00 0.00 C ATOM 1905 CG2 VAL A 129 -5.197 21.824 12.538 1.00 0.00 C ATOM 0 H VAL A 129 -5.329 18.798 11.818 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.239 20.894 10.055 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.745 20.336 13.006 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.642 22.550 13.020 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.833 21.402 11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.889 22.670 11.261 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -5.036 22.395 13.452 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.433 22.506 11.721 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -6.026 21.132 12.684 1.00 0.00 H new ATOM 1915 N PHE A 130 -2.084 19.662 9.748 1.00 0.00 N ATOM 1916 CA PHE A 130 -0.885 18.921 9.445 1.00 0.00 C ATOM 1917 C PHE A 130 0.301 19.683 9.990 1.00 0.00 C ATOM 1918 O PHE A 130 0.518 20.854 9.619 1.00 0.00 O ATOM 1919 CB PHE A 130 -0.724 18.765 7.930 1.00 0.00 C ATOM 1920 CG PHE A 130 -1.882 18.106 7.239 1.00 0.00 C ATOM 1921 CD1 PHE A 130 -2.957 18.859 6.793 1.00 0.00 C ATOM 1922 CD2 PHE A 130 -1.893 16.744 7.024 1.00 0.00 C ATOM 1923 CE1 PHE A 130 -4.017 18.266 6.152 1.00 0.00 C ATOM 1924 CE2 PHE A 130 -2.952 16.145 6.382 1.00 0.00 C ATOM 1925 CZ PHE A 130 -4.018 16.909 5.944 1.00 0.00 C ATOM 0 H PHE A 130 -2.232 20.472 9.147 1.00 0.00 H new ATOM 0 HA PHE A 130 -0.948 17.931 9.897 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -0.571 19.751 7.492 1.00 0.00 H new ATOM 0 HB3 PHE A 130 0.177 18.185 7.732 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -2.961 19.927 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -1.063 16.142 7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -4.848 18.866 5.812 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -2.951 15.077 6.220 1.00 0.00 H new ATOM 0 HZ PHE A 130 -4.849 16.439 5.439 1.00 0.00 H new ATOM 1935 N LYS A 131 1.035 19.067 10.867 1.00 0.00 N ATOM 1936 CA LYS A 131 2.177 19.685 11.461 1.00 0.00 C ATOM 1937 C LYS A 131 3.293 18.644 11.475 1.00 0.00 C ATOM 1938 O LYS A 131 3.395 17.869 12.438 1.00 0.00 O ATOM 1939 CB LYS A 131 1.806 20.187 12.889 1.00 0.00 C ATOM 1940 CG LYS A 131 2.752 21.237 13.516 1.00 0.00 C ATOM 1941 CD LYS A 131 4.134 20.699 13.878 1.00 0.00 C ATOM 1942 CE LYS A 131 4.068 19.675 15.002 1.00 0.00 C ATOM 1943 NZ LYS A 131 5.400 19.146 15.330 1.00 0.00 N ATOM 1944 OXT LYS A 131 4.043 18.562 10.497 1.00 0.00 O ATOM 0 H LYS A 131 0.856 18.117 11.191 1.00 0.00 H new ATOM 0 HA LYS A 131 2.514 20.557 10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 131 0.802 20.610 12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 131 1.764 19.325 13.554 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.869 22.066 12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.285 21.640 14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.588 20.243 12.998 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.778 21.526 14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.630 20.134 15.888 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.412 18.855 14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.318 18.451 16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.807 18.686 14.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.018 19.926 15.632 1.00 0.00 H new