USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 248 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 Single : A 58 THR OG1 : rot 20:sc= 0.671 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.16! C(o=-1.2!,f=-2!) USER MOD Single : A 62 THR OG1 : rot -56:sc= 0.458 USER MOD Single : A 63 THR OG1 : rot 24:sc= 0.713 USER MOD Single : A 66 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.027) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.198 USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 74 SER OG : rot 166:sc= 1.05 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -16.390 -0.535 -12.199 1.00 0.00 N ATOM 592 CA THR A 58 -15.986 -1.633 -11.338 1.00 0.00 C ATOM 593 C THR A 58 -14.477 -1.865 -11.444 1.00 0.00 C ATOM 594 O THR A 58 -13.976 -2.909 -11.028 1.00 0.00 O ATOM 595 CB THR A 58 -16.818 -2.860 -11.715 1.00 0.00 C ATOM 596 OG1 THR A 58 -18.147 -2.359 -11.820 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.895 -3.885 -10.581 1.00 0.00 C ATOM 0 HA THR A 58 -16.175 -1.405 -10.289 1.00 0.00 H new ATOM 0 HB THR A 58 -16.392 -3.330 -12.601 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.122 -1.387 -11.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.497 -4.736 -10.900 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.890 -4.225 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.353 -3.425 -9.705 1.00 0.00 H new ATOM 605 N TYR A 59 -13.796 -0.877 -12.004 1.00 0.00 N ATOM 606 CA TYR A 59 -12.355 -0.961 -12.169 1.00 0.00 C ATOM 607 C TYR A 59 -11.631 -0.573 -10.879 1.00 0.00 C ATOM 608 O TYR A 59 -12.268 -0.232 -9.884 1.00 0.00 O ATOM 609 CB TYR A 59 -11.997 0.046 -13.264 1.00 0.00 C ATOM 610 CG TYR A 59 -12.520 1.461 -13.003 1.00 0.00 C ATOM 611 CD1 TYR A 59 -12.082 2.165 -11.899 1.00 0.00 C ATOM 612 CD2 TYR A 59 -13.428 2.032 -13.871 1.00 0.00 C ATOM 613 CE1 TYR A 59 -12.574 3.496 -11.653 1.00 0.00 C ATOM 614 CE2 TYR A 59 -13.919 3.364 -13.625 1.00 0.00 C ATOM 615 CZ TYR A 59 -13.469 4.029 -12.529 1.00 0.00 C ATOM 616 OH TYR A 59 -13.932 5.286 -12.296 1.00 0.00 O ATOM 0 H TYR A 59 -14.215 -0.014 -12.349 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.057 -1.978 -12.422 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.913 0.084 -13.368 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -12.396 -0.309 -14.214 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.371 1.718 -11.220 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -13.770 1.481 -14.734 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.240 4.058 -10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.629 3.824 -14.297 1.00 0.00 H new ATOM 0 HH TYR A 59 -14.563 5.538 -13.002 1.00 0.00 H new ATOM 625 N CYS A 60 -10.309 -0.637 -10.938 1.00 0.00 N ATOM 626 CA CYS A 60 -9.491 -0.297 -9.786 1.00 0.00 C ATOM 627 C CYS A 60 -9.602 1.211 -9.547 1.00 0.00 C ATOM 628 O CYS A 60 -9.351 2.006 -10.452 1.00 0.00 O ATOM 629 CB CYS A 60 -8.039 -0.740 -9.972 1.00 0.00 C ATOM 630 SG CYS A 60 -7.827 -2.299 -10.908 1.00 0.00 S ATOM 0 H CYS A 60 -9.784 -0.919 -11.766 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.854 -0.831 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.495 0.053 -10.485 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.581 -0.857 -8.990 1.00 0.00 H new ATOM 634 N ASN A 61 -9.976 1.558 -8.324 1.00 0.00 N ATOM 635 CA ASN A 61 -10.123 2.956 -7.955 1.00 0.00 C ATOM 636 C ASN A 61 -8.966 3.360 -7.038 1.00 0.00 C ATOM 637 O ASN A 61 -8.285 2.503 -6.477 1.00 0.00 O ATOM 638 CB ASN A 61 -11.431 3.191 -7.198 1.00 0.00 C ATOM 639 CG ASN A 61 -11.577 4.660 -6.800 1.00 0.00 C ATOM 640 OD1 ASN A 61 -11.528 5.562 -7.622 1.00 0.00 O ATOM 641 ND2 ASN A 61 -11.758 4.852 -5.496 1.00 0.00 N ATOM 0 H ASN A 61 -10.182 0.895 -7.576 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.125 3.549 -8.870 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.274 2.894 -7.821 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.457 2.565 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.866 5.798 -5.130 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.789 4.053 -4.862 1.00 0.00 H new ATOM 647 N THR A 62 -8.781 4.666 -6.915 1.00 0.00 N ATOM 648 CA THR A 62 -7.719 5.195 -6.076 1.00 0.00 C ATOM 649 C THR A 62 -7.854 4.665 -4.647 1.00 0.00 C ATOM 650 O THR A 62 -8.895 4.836 -4.014 1.00 0.00 O ATOM 651 CB THR A 62 -7.762 6.722 -6.165 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.676 7.050 -7.027 1.00 0.00 O ATOM 653 CG2 THR A 62 -7.402 7.396 -4.839 1.00 0.00 C ATOM 0 H THR A 62 -9.348 5.373 -7.382 1.00 0.00 H new ATOM 0 HA THR A 62 -6.740 4.863 -6.421 1.00 0.00 H new ATOM 0 HB THR A 62 -8.757 7.040 -6.475 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.845 6.680 -6.662 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.448 8.479 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.108 7.085 -4.069 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.393 7.105 -4.545 1.00 0.00 H new ATOM 661 N THR A 63 -6.788 4.033 -4.181 1.00 0.00 N ATOM 662 CA THR A 63 -6.775 3.477 -2.838 1.00 0.00 C ATOM 663 C THR A 63 -5.345 3.432 -2.293 1.00 0.00 C ATOM 664 O THR A 63 -4.384 3.483 -3.059 1.00 0.00 O ATOM 665 CB THR A 63 -7.450 2.106 -2.887 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.843 2.402 -2.830 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.193 1.280 -1.625 1.00 0.00 C ATOM 0 H THR A 63 -5.927 3.893 -4.709 1.00 0.00 H new ATOM 0 HA THR A 63 -7.334 4.105 -2.145 1.00 0.00 H new ATOM 0 HB THR A 63 -7.093 1.557 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.998 3.311 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.695 0.316 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.121 1.122 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.580 1.813 -0.756 1.00 0.00 H new ATOM 675 N LEU A 64 -5.251 3.335 -0.976 1.00 0.00 N ATOM 676 CA LEU A 64 -3.955 3.282 -0.320 1.00 0.00 C ATOM 677 C LEU A 64 -3.854 1.992 0.497 1.00 0.00 C ATOM 678 O LEU A 64 -4.720 1.707 1.324 1.00 0.00 O ATOM 679 CB LEU A 64 -3.718 4.550 0.502 1.00 0.00 C ATOM 680 CG LEU A 64 -4.845 4.951 1.457 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.401 4.817 2.916 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.357 6.358 1.141 1.00 0.00 C ATOM 0 H LEU A 64 -6.051 3.292 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.155 3.255 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.806 4.417 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.540 5.377 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.678 4.264 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.220 5.108 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.123 3.783 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.543 5.465 3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.157 6.618 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.541 7.074 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.738 6.386 0.120 1.00 0.00 H new ATOM 693 N ASP A 65 -2.792 1.246 0.237 1.00 0.00 N ATOM 694 CA ASP A 65 -2.567 -0.007 0.938 1.00 0.00 C ATOM 695 C ASP A 65 -1.705 0.254 2.175 1.00 0.00 C ATOM 696 O ASP A 65 -1.462 1.403 2.536 1.00 0.00 O ATOM 697 CB ASP A 65 -1.827 -1.009 0.049 1.00 0.00 C ATOM 698 CG ASP A 65 -2.151 -2.479 0.324 1.00 0.00 C ATOM 699 OD1 ASP A 65 -3.346 -2.829 0.206 1.00 0.00 O ATOM 700 OD2 ASP A 65 -1.198 -3.221 0.646 1.00 0.00 O ATOM 0 H ASP A 65 -2.077 1.485 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.538 -0.418 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.061 -0.790 -0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.754 -0.859 0.173 1.00 0.00 H new ATOM 704 N GLN A 66 -1.268 -0.834 2.791 1.00 0.00 N ATOM 705 CA GLN A 66 -0.439 -0.739 3.981 1.00 0.00 C ATOM 706 C GLN A 66 0.565 0.406 3.837 1.00 0.00 C ATOM 707 O GLN A 66 0.966 1.014 4.828 1.00 0.00 O ATOM 708 CB GLN A 66 0.275 -2.063 4.260 1.00 0.00 C ATOM 709 CG GLN A 66 0.530 -2.243 5.757 1.00 0.00 C ATOM 710 CD GLN A 66 0.676 -3.723 6.115 1.00 0.00 C ATOM 711 OE1 GLN A 66 -0.233 -4.521 5.950 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.867 -4.046 6.612 1.00 0.00 N ATOM 0 H GLN A 66 -1.472 -1.786 2.489 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.084 -0.526 4.834 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.328 -2.891 3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.222 -2.091 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.434 -1.705 6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.292 -1.807 6.324 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.584 -3.329 6.724 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.063 -5.010 6.881 1.00 0.00 H new ATOM 719 N ILE A 67 0.945 0.665 2.594 1.00 0.00 N ATOM 720 CA ILE A 67 1.895 1.726 2.308 1.00 0.00 C ATOM 721 C ILE A 67 1.133 3.011 1.975 1.00 0.00 C ATOM 722 O ILE A 67 0.554 3.133 0.897 1.00 0.00 O ATOM 723 CB ILE A 67 2.872 1.290 1.213 1.00 0.00 C ATOM 724 CG1 ILE A 67 2.123 0.746 -0.005 1.00 0.00 C ATOM 725 CG2 ILE A 67 3.890 0.286 1.756 1.00 0.00 C ATOM 726 CD1 ILE A 67 3.056 0.619 -1.211 1.00 0.00 C ATOM 0 H ILE A 67 0.612 0.158 1.774 1.00 0.00 H new ATOM 0 HA ILE A 67 2.507 1.935 3.185 1.00 0.00 H new ATOM 0 HB ILE A 67 3.429 2.167 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.695 -0.228 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.293 1.408 -0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.572 -0.008 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.456 0.744 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.368 -0.595 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.498 0.230 -2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.463 1.599 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.872 -0.062 -0.970 1.00 0.00 H new ATOM 737 N GLY A 68 1.160 3.938 2.921 1.00 0.00 N ATOM 738 CA GLY A 68 0.478 5.210 2.742 1.00 0.00 C ATOM 739 C GLY A 68 0.449 5.613 1.266 1.00 0.00 C ATOM 740 O GLY A 68 -0.569 6.091 0.770 1.00 0.00 O ATOM 0 H GLY A 68 1.643 3.835 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.541 5.137 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.982 5.982 3.324 1.00 0.00 H new ATOM 744 N THR A 69 1.580 5.405 0.607 1.00 0.00 N ATOM 745 CA THR A 69 1.697 5.742 -0.801 1.00 0.00 C ATOM 746 C THR A 69 0.380 5.461 -1.528 1.00 0.00 C ATOM 747 O THR A 69 0.118 4.328 -1.929 1.00 0.00 O ATOM 748 CB THR A 69 2.885 4.967 -1.375 1.00 0.00 C ATOM 749 OG1 THR A 69 2.931 5.367 -2.743 1.00 0.00 O ATOM 750 CG2 THR A 69 2.628 3.461 -1.436 1.00 0.00 C ATOM 0 H THR A 69 2.423 5.008 1.022 1.00 0.00 H new ATOM 0 HA THR A 69 1.887 6.806 -0.939 1.00 0.00 H new ATOM 0 HB THR A 69 3.771 5.159 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.674 4.913 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.502 2.959 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.436 3.084 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.763 3.265 -2.069 1.00 0.00 H new ATOM 758 N CYS A 70 -0.414 6.511 -1.676 1.00 0.00 N ATOM 759 CA CYS A 70 -1.697 6.391 -2.347 1.00 0.00 C ATOM 760 C CYS A 70 -1.467 5.729 -3.707 1.00 0.00 C ATOM 761 O CYS A 70 -0.327 5.587 -4.148 1.00 0.00 O ATOM 762 CB CYS A 70 -2.393 7.746 -2.482 1.00 0.00 C ATOM 763 SG CYS A 70 -4.182 7.657 -2.856 1.00 0.00 S ATOM 0 H CYS A 70 -0.193 7.449 -1.342 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.366 5.771 -1.751 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.257 8.302 -1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.899 8.315 -3.270 1.00 0.00 H new ATOM 0 HG CYS A 70 -4.667 8.860 -2.946 1.00 0.00 H new ATOM 767 N TRP A 71 -2.568 5.342 -4.335 1.00 0.00 N ATOM 768 CA TRP A 71 -2.501 4.699 -5.636 1.00 0.00 C ATOM 769 C TRP A 71 -3.566 5.334 -6.533 1.00 0.00 C ATOM 770 O TRP A 71 -4.733 5.418 -6.153 1.00 0.00 O ATOM 771 CB TRP A 71 -2.656 3.183 -5.506 1.00 0.00 C ATOM 772 CG TRP A 71 -1.559 2.514 -4.676 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.232 2.750 -3.398 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.652 1.482 -5.120 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.185 1.950 -2.988 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.179 1.154 -4.069 1.00 0.00 C ATOM 777 CE3 TRP A 71 -0.539 0.847 -6.370 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.182 0.182 -4.159 1.00 0.00 C ATOM 779 CZ3 TRP A 71 0.470 -0.122 -6.443 1.00 0.00 C ATOM 780 CH2 TRP A 71 1.314 -0.463 -5.394 1.00 0.00 C ATOM 0 H TRP A 71 -3.512 5.462 -3.967 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.524 4.854 -6.093 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.623 2.965 -5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.663 2.742 -6.503 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.726 3.475 -2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.243 1.944 -2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.179 1.087 -7.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.820 -0.057 -3.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.601 -0.641 -7.381 1.00 0.00 H new ATOM 0 HH2 TRP A 71 2.069 -1.223 -5.531 1.00 0.00 H new ATOM 790 N PRO A 72 -3.113 5.777 -7.736 1.00 0.00 N ATOM 791 CA PRO A 72 -4.014 6.402 -8.690 1.00 0.00 C ATOM 792 C PRO A 72 -4.903 5.360 -9.370 1.00 0.00 C ATOM 793 O PRO A 72 -4.439 4.275 -9.718 1.00 0.00 O ATOM 794 CB PRO A 72 -3.107 7.136 -9.665 1.00 0.00 C ATOM 795 CG PRO A 72 -1.729 6.517 -9.498 1.00 0.00 C ATOM 796 CD PRO A 72 -1.738 5.696 -8.220 1.00 0.00 C ATOM 0 HA PRO A 72 -4.712 7.093 -8.218 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.463 7.025 -10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.084 8.204 -9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.487 5.887 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.966 7.293 -9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.446 4.663 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.036 6.096 -7.488 1.00 0.00 H new ATOM 801 N GLN A 73 -6.165 5.724 -9.538 1.00 0.00 N ATOM 802 CA GLN A 73 -7.124 4.834 -10.169 1.00 0.00 C ATOM 803 C GLN A 73 -6.445 4.021 -11.274 1.00 0.00 C ATOM 804 O GLN A 73 -5.579 4.532 -11.982 1.00 0.00 O ATOM 805 CB GLN A 73 -8.320 5.615 -10.718 1.00 0.00 C ATOM 806 CG GLN A 73 -9.203 4.722 -11.594 1.00 0.00 C ATOM 807 CD GLN A 73 -9.294 5.270 -13.020 1.00 0.00 C ATOM 808 OE1 GLN A 73 -8.247 4.968 -13.783 1.00 0.00 O flip ATOM 809 NE2 GLN A 73 -10.252 5.922 -13.401 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.546 6.624 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.500 4.143 -9.415 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.908 6.015 -9.892 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.967 6.466 -11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.797 3.711 -11.615 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.201 4.656 -11.162 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.023 6.117 -12.762 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.282 6.272 -14.359 1.00 0.00 H new ATOM 816 N SER A 74 -6.865 2.769 -11.387 1.00 0.00 N ATOM 817 CA SER A 74 -6.309 1.880 -12.393 1.00 0.00 C ATOM 818 C SER A 74 -7.422 1.041 -13.023 1.00 0.00 C ATOM 819 O SER A 74 -8.581 1.140 -12.624 1.00 0.00 O ATOM 820 CB SER A 74 -5.234 0.972 -11.793 1.00 0.00 C ATOM 821 OG SER A 74 -5.065 1.197 -10.395 1.00 0.00 O ATOM 0 H SER A 74 -7.584 2.349 -10.798 1.00 0.00 H new ATOM 0 HA SER A 74 -5.841 2.489 -13.166 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.504 -0.070 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.287 1.144 -12.305 1.00 0.00 H new ATOM 0 HG SER A 74 -4.542 0.465 -10.007 1.00 0.00 H new ATOM 826 N ALA A 75 -7.031 0.233 -13.998 1.00 0.00 N ATOM 827 CA ALA A 75 -7.981 -0.622 -14.688 1.00 0.00 C ATOM 828 C ALA A 75 -7.755 -2.074 -14.262 1.00 0.00 C ATOM 829 O ALA A 75 -6.691 -2.416 -13.747 1.00 0.00 O ATOM 830 CB ALA A 75 -7.840 -0.428 -16.199 1.00 0.00 C ATOM 0 H ALA A 75 -6.069 0.153 -14.326 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.003 -0.355 -14.420 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.553 -1.070 -16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.039 0.613 -16.452 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.827 -0.689 -16.506 1.00 0.00 H new ATOM 836 N PRO A 76 -8.799 -2.912 -14.499 1.00 0.00 N ATOM 837 CA PRO A 76 -8.725 -4.320 -14.147 1.00 0.00 C ATOM 838 C PRO A 76 -7.840 -5.086 -15.133 1.00 0.00 C ATOM 839 O PRO A 76 -7.793 -4.755 -16.316 1.00 0.00 O ATOM 840 CB PRO A 76 -10.166 -4.801 -14.143 1.00 0.00 C ATOM 841 CG PRO A 76 -10.951 -3.774 -14.942 1.00 0.00 C ATOM 842 CD PRO A 76 -10.074 -2.543 -15.108 1.00 0.00 C ATOM 0 HA PRO A 76 -8.262 -4.487 -13.175 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.248 -5.791 -14.592 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.549 -4.880 -13.125 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.229 -4.179 -15.915 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.877 -3.517 -14.428 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.950 -2.284 -16.159 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.512 -1.675 -14.615 1.00 0.00 H new ATOM 847 N GLY A 77 -7.163 -6.097 -14.609 1.00 0.00 N ATOM 848 CA GLY A 77 -6.283 -6.913 -15.429 1.00 0.00 C ATOM 849 C GLY A 77 -4.925 -6.234 -15.619 1.00 0.00 C ATOM 850 O GLY A 77 -4.118 -6.671 -16.438 1.00 0.00 O ATOM 0 H GLY A 77 -7.206 -6.370 -13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.144 -7.888 -14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.745 -7.089 -16.401 1.00 0.00 H new ATOM 854 N ALA A 78 -4.715 -5.178 -14.848 1.00 0.00 N ATOM 855 CA ALA A 78 -3.468 -4.435 -14.922 1.00 0.00 C ATOM 856 C ALA A 78 -2.521 -4.926 -13.826 1.00 0.00 C ATOM 857 O ALA A 78 -2.748 -5.977 -13.230 1.00 0.00 O ATOM 858 CB ALA A 78 -3.760 -2.936 -14.813 1.00 0.00 C ATOM 0 H ALA A 78 -5.386 -4.819 -14.169 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.977 -4.603 -15.881 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.825 -2.378 -14.868 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.413 -2.632 -15.631 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.250 -2.729 -13.862 1.00 0.00 H new ATOM 864 N LEU A 79 -1.479 -4.141 -13.594 1.00 0.00 N ATOM 865 CA LEU A 79 -0.496 -4.483 -12.579 1.00 0.00 C ATOM 866 C LEU A 79 0.504 -3.334 -12.437 1.00 0.00 C ATOM 867 O LEU A 79 1.143 -2.938 -13.410 1.00 0.00 O ATOM 868 CB LEU A 79 0.156 -5.830 -12.898 1.00 0.00 C ATOM 869 CG LEU A 79 0.927 -5.907 -14.217 1.00 0.00 C ATOM 870 CD1 LEU A 79 2.407 -5.581 -14.007 1.00 0.00 C ATOM 871 CD2 LEU A 79 0.730 -7.266 -14.890 1.00 0.00 C ATOM 0 H LEU A 79 -1.294 -3.270 -14.091 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.977 -4.609 -11.609 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.838 -6.082 -12.086 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.622 -6.594 -12.910 1.00 0.00 H new ATOM 0 HG LEU A 79 0.523 -5.152 -14.892 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.932 -5.643 -14.960 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.504 -4.573 -13.604 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.841 -6.295 -13.307 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.289 -7.293 -15.825 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.090 -8.055 -14.229 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.329 -7.420 -15.096 1.00 0.00 H new ATOM 882 N VAL A 80 0.609 -2.832 -11.214 1.00 0.00 N ATOM 883 CA VAL A 80 1.520 -1.736 -10.932 1.00 0.00 C ATOM 884 C VAL A 80 2.802 -2.294 -10.309 1.00 0.00 C ATOM 885 O VAL A 80 3.134 -1.969 -9.170 1.00 0.00 O ATOM 886 CB VAL A 80 0.829 -0.696 -10.049 1.00 0.00 C ATOM 887 CG1 VAL A 80 1.850 0.254 -9.419 1.00 0.00 C ATOM 888 CG2 VAL A 80 -0.227 0.080 -10.839 1.00 0.00 C ATOM 0 H VAL A 80 0.079 -3.164 -10.409 1.00 0.00 H new ATOM 0 HA VAL A 80 1.801 -1.225 -11.853 1.00 0.00 H new ATOM 0 HB VAL A 80 0.322 -1.226 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.332 0.983 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.548 -0.316 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.398 0.773 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.703 0.813 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.248 0.593 -11.675 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.979 -0.612 -11.218 1.00 0.00 H new ATOM 898 N GLU A 81 3.487 -3.122 -11.082 1.00 0.00 N ATOM 899 CA GLU A 81 4.724 -3.727 -10.621 1.00 0.00 C ATOM 900 C GLU A 81 5.876 -2.725 -10.723 1.00 0.00 C ATOM 901 O GLU A 81 6.077 -2.111 -11.770 1.00 0.00 O ATOM 902 CB GLU A 81 5.036 -5.003 -11.405 1.00 0.00 C ATOM 903 CG GLU A 81 5.234 -4.699 -12.891 1.00 0.00 C ATOM 904 CD GLU A 81 5.644 -5.957 -13.658 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.116 -7.035 -13.307 1.00 0.00 O ATOM 906 OE2 GLU A 81 6.478 -5.814 -14.578 1.00 0.00 O ATOM 0 H GLU A 81 3.208 -3.389 -12.026 1.00 0.00 H new ATOM 0 HA GLU A 81 4.601 -4.004 -9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.935 -5.470 -11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.222 -5.718 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.311 -4.298 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.998 -3.931 -13.010 1.00 0.00 H new ATOM 911 N ARG A 82 6.600 -2.589 -9.622 1.00 0.00 N ATOM 912 CA ARG A 82 7.726 -1.672 -9.575 1.00 0.00 C ATOM 913 C ARG A 82 8.592 -1.956 -8.346 1.00 0.00 C ATOM 914 O ARG A 82 8.741 -1.099 -7.477 1.00 0.00 O ATOM 915 CB ARG A 82 7.250 -0.218 -9.531 1.00 0.00 C ATOM 916 CG ARG A 82 6.202 -0.018 -8.435 1.00 0.00 C ATOM 917 CD ARG A 82 5.946 1.470 -8.186 1.00 0.00 C ATOM 918 NE ARG A 82 4.535 1.681 -7.789 1.00 0.00 N ATOM 919 CZ ARG A 82 4.099 2.750 -7.107 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.960 3.710 -6.743 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.803 2.857 -6.790 1.00 0.00 N ATOM 0 H ARG A 82 6.429 -3.099 -8.755 1.00 0.00 H new ATOM 0 HA ARG A 82 8.315 -1.823 -10.480 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.099 0.441 -9.352 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.829 0.060 -10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.272 -0.508 -8.723 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.540 -0.492 -7.513 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.611 1.836 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.168 2.042 -9.087 1.00 0.00 H new ATOM 0 HE ARG A 82 3.853 0.969 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.948 3.628 -6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.628 4.523 -6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.148 2.126 -7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.470 3.670 -6.271 1.00 0.00 H new ATOM 1166 N ALA A 99 7.386 -0.885 -5.138 1.00 0.00 N ATOM 1167 CA ALA A 99 6.312 -1.780 -4.740 1.00 0.00 C ATOM 1168 C ALA A 99 5.858 -2.596 -5.952 1.00 0.00 C ATOM 1169 O ALA A 99 6.533 -2.614 -6.980 1.00 0.00 O ATOM 1170 CB ALA A 99 5.172 -0.967 -4.125 1.00 0.00 C ATOM 0 HA ALA A 99 6.659 -2.482 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.366 -1.638 -3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.539 -0.429 -3.251 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.797 -0.254 -4.859 1.00 0.00 H new ATOM 1176 N TYR A 100 4.719 -3.252 -5.790 1.00 0.00 N ATOM 1177 CA TYR A 100 4.168 -4.069 -6.858 1.00 0.00 C ATOM 1178 C TYR A 100 2.807 -4.645 -6.461 1.00 0.00 C ATOM 1179 O TYR A 100 2.676 -5.271 -5.410 1.00 0.00 O ATOM 1180 CB TYR A 100 5.155 -5.220 -7.062 1.00 0.00 C ATOM 1181 CG TYR A 100 4.498 -6.536 -7.483 1.00 0.00 C ATOM 1182 CD1 TYR A 100 3.721 -6.585 -8.623 1.00 0.00 C ATOM 1183 CD2 TYR A 100 4.684 -7.674 -6.725 1.00 0.00 C ATOM 1184 CE1 TYR A 100 3.102 -7.824 -9.020 1.00 0.00 C ATOM 1185 CE2 TYR A 100 4.066 -8.913 -7.122 1.00 0.00 C ATOM 1186 CZ TYR A 100 3.306 -8.926 -8.250 1.00 0.00 C ATOM 1187 OH TYR A 100 2.722 -10.096 -8.625 1.00 0.00 O ATOM 0 H TYR A 100 4.162 -3.235 -4.935 1.00 0.00 H new ATOM 0 HA TYR A 100 4.027 -3.475 -7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.883 -4.931 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 100 5.706 -5.381 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.577 -5.695 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.293 -7.636 -5.834 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.490 -7.876 -9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.203 -9.811 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 100 2.955 -10.799 -7.983 1.00 0.00 H new ATOM 1196 N ARG A 101 1.828 -4.412 -7.322 1.00 0.00 N ATOM 1197 CA ARG A 101 0.481 -4.901 -7.075 1.00 0.00 C ATOM 1198 C ARG A 101 -0.224 -5.207 -8.398 1.00 0.00 C ATOM 1199 O ARG A 101 -0.060 -4.479 -9.375 1.00 0.00 O ATOM 1200 CB ARG A 101 -0.341 -3.875 -6.292 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.708 -4.409 -4.906 1.00 0.00 C ATOM 1202 CD ARG A 101 -2.004 -3.773 -4.399 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.553 -4.567 -3.279 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.530 -4.143 -2.464 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -4.069 -2.930 -2.641 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -3.966 -4.934 -1.474 1.00 0.00 N ATOM 0 H ARG A 101 1.940 -3.891 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 101 0.562 -5.813 -6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.227 -2.950 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.249 -3.633 -6.845 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.823 -5.492 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.101 -4.201 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.813 -2.751 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.732 -3.718 -5.208 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.164 -5.496 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.736 -2.329 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.812 -2.607 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.555 -5.858 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.709 -4.612 -0.854 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.993 -6.286 -8.385 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.724 -6.697 -9.572 1.00 0.00 C ATOM 1219 C GLU A 102 -3.203 -6.329 -9.438 1.00 0.00 C ATOM 1220 O GLU A 102 -3.763 -6.383 -8.346 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.553 -8.196 -9.829 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.882 -9.008 -8.574 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.936 -10.505 -8.888 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -2.611 -10.852 -9.880 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -1.300 -11.267 -8.129 1.00 0.00 O ATOM 0 H GLU A 102 -1.126 -6.888 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.314 -6.165 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.203 -8.505 -10.647 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.529 -8.401 -10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.130 -8.820 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.840 -8.683 -8.167 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.792 -5.963 -10.567 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.195 -5.586 -10.591 1.00 0.00 C ATOM 1232 C CYS A 103 -5.983 -6.707 -11.273 1.00 0.00 C ATOM 1233 O CYS A 103 -5.906 -6.871 -12.490 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.408 -4.237 -11.281 1.00 0.00 C ATOM 1235 SG CYS A 103 -5.961 -2.888 -10.175 1.00 0.00 S ATOM 0 H CYS A 103 -3.323 -5.920 -11.472 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.556 -5.458 -9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.475 -3.937 -11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.145 -4.363 -12.074 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.722 -7.447 -10.461 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.522 -8.547 -10.971 1.00 0.00 C ATOM 1241 C LEU A 104 -8.417 -8.038 -12.103 1.00 0.00 C ATOM 1242 O LEU A 104 -8.582 -6.832 -12.275 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.292 -9.222 -9.833 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.673 -10.503 -9.272 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.369 -10.927 -7.977 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.681 -11.620 -10.319 1.00 0.00 C ATOM 0 H LEU A 104 -6.784 -7.307 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.881 -9.321 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.398 -8.506 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.297 -9.453 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.631 -10.299 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.910 -11.840 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.268 -10.136 -7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.426 -11.107 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.235 -12.520 -9.895 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.708 -11.830 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.106 -11.306 -11.190 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.973 -8.984 -12.845 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.848 -8.647 -13.956 1.00 0.00 C ATOM 1259 C GLU A 105 -11.228 -8.238 -13.439 1.00 0.00 C ATOM 1260 O GLU A 105 -12.124 -7.936 -14.226 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.954 -9.812 -14.943 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.631 -11.020 -14.293 1.00 0.00 C ATOM 1263 CD GLU A 105 -11.241 -11.942 -15.351 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -12.281 -11.545 -15.918 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -10.653 -13.023 -15.569 1.00 0.00 O ATOM 0 H GLU A 105 -8.835 -9.984 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.417 -7.800 -14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.522 -9.500 -15.820 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.959 -10.091 -15.290 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.903 -11.573 -13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.409 -10.681 -13.609 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.356 -8.242 -12.121 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.612 -7.874 -11.490 1.00 0.00 C ATOM 1272 C ASN A 106 -12.528 -6.427 -11.001 1.00 0.00 C ATOM 1273 O ASN A 106 -13.499 -5.890 -10.468 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.902 -8.765 -10.281 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.204 -9.547 -10.475 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.255 -9.188 -9.970 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.076 -10.631 -11.234 1.00 0.00 N ATOM 0 H ASN A 106 -10.611 -8.494 -11.472 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.407 -7.994 -12.226 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.076 -9.460 -10.130 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.972 -8.153 -9.382 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.887 -11.219 -11.424 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.166 -10.875 -11.626 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.360 -5.835 -11.199 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.136 -4.460 -10.785 1.00 0.00 C ATOM 1285 C GLY A 107 -10.853 -4.379 -9.285 1.00 0.00 C ATOM 1286 O GLY A 107 -11.472 -3.589 -8.573 1.00 0.00 O ATOM 0 H GLY A 107 -10.557 -6.283 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.297 -4.041 -11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.011 -3.856 -11.027 1.00 0.00 H new ATOM 1290 N THR A 108 -9.916 -5.207 -8.846 1.00 0.00 N ATOM 1291 CA THR A 108 -9.543 -5.239 -7.442 1.00 0.00 C ATOM 1292 C THR A 108 -8.030 -5.416 -7.296 1.00 0.00 C ATOM 1293 O THR A 108 -7.419 -6.195 -8.027 1.00 0.00 O ATOM 1294 CB THR A 108 -10.352 -6.345 -6.762 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.964 -7.531 -7.450 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.852 -6.226 -7.039 1.00 0.00 C ATOM 0 H THR A 108 -9.404 -5.861 -9.438 1.00 0.00 H new ATOM 0 HA THR A 108 -9.778 -4.295 -6.949 1.00 0.00 H new ATOM 0 HB THR A 108 -10.178 -6.314 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.440 -8.299 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.381 -7.034 -6.534 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.216 -5.268 -6.668 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.030 -6.291 -8.112 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.469 -4.680 -6.348 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.038 -4.746 -6.097 1.00 0.00 C ATOM 1306 C TRP A 109 -5.715 -6.147 -5.572 1.00 0.00 C ATOM 1307 O TRP A 109 -6.573 -7.028 -5.574 1.00 0.00 O ATOM 1308 CB TRP A 109 -5.597 -3.633 -5.145 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.458 -2.263 -5.811 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.206 -1.169 -5.611 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.477 -1.882 -6.798 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -5.781 -0.116 -6.394 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -4.696 -0.563 -7.139 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.439 -2.629 -7.383 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -3.917 0.125 -8.077 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -2.670 -1.926 -8.320 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -2.877 -0.597 -8.673 1.00 0.00 C ATOM 0 H TRP A 109 -7.979 -4.035 -5.744 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.476 -4.581 -7.016 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.318 -3.558 -4.331 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.641 -3.908 -4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.037 -1.118 -4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.188 0.819 -6.421 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.250 -3.662 -7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.109 1.158 -8.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.860 -2.453 -8.802 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.238 -0.124 -9.404 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.475 -6.308 -5.135 1.00 0.00 N ATOM 1328 CA ALA A 110 -4.028 -7.586 -4.608 1.00 0.00 C ATOM 1329 C ALA A 110 -4.345 -7.655 -3.113 1.00 0.00 C ATOM 1330 O ALA A 110 -5.307 -7.043 -2.650 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.535 -7.763 -4.896 1.00 0.00 C ATOM 0 H ALA A 110 -3.766 -5.575 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.554 -8.407 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -2.199 -8.722 -4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.366 -7.735 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.975 -6.958 -4.420 1.00 0.00 H new ATOM 1337 N SER A 111 -3.519 -8.407 -2.399 1.00 0.00 N ATOM 1338 CA SER A 111 -3.700 -8.564 -0.966 1.00 0.00 C ATOM 1339 C SER A 111 -2.689 -7.698 -0.213 1.00 0.00 C ATOM 1340 O SER A 111 -3.038 -7.033 0.761 1.00 0.00 O ATOM 1341 CB SER A 111 -3.558 -10.030 -0.551 1.00 0.00 C ATOM 1342 OG SER A 111 -4.566 -10.421 0.377 1.00 0.00 O ATOM 0 H SER A 111 -2.723 -8.914 -2.787 1.00 0.00 H new ATOM 0 HA SER A 111 -4.708 -8.238 -0.710 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.614 -10.664 -1.436 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.575 -10.188 -0.107 1.00 0.00 H new ATOM 0 HG SER A 111 -4.443 -11.363 0.616 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.454 -7.734 -0.692 1.00 0.00 N ATOM 1348 CA ARG A 112 -0.388 -6.961 -0.076 1.00 0.00 C ATOM 1349 C ARG A 112 0.542 -6.392 -1.148 1.00 0.00 C ATOM 1350 O ARG A 112 0.802 -7.042 -2.160 1.00 0.00 O ATOM 1351 CB ARG A 112 0.426 -7.820 0.893 1.00 0.00 C ATOM 1352 CG ARG A 112 0.465 -7.189 2.286 1.00 0.00 C ATOM 1353 CD ARG A 112 1.236 -8.073 3.268 1.00 0.00 C ATOM 1354 NE ARG A 112 0.338 -9.103 3.836 1.00 0.00 N ATOM 1355 CZ ARG A 112 0.740 -10.080 4.659 1.00 0.00 C ATOM 1356 NH1 ARG A 112 2.029 -10.167 5.016 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -0.145 -10.971 5.126 1.00 0.00 N ATOM 0 H ARG A 112 -1.167 -8.287 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.849 -6.145 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.009 -8.817 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.441 -7.938 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.934 -6.206 2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.552 -7.037 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.074 -8.550 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.654 -7.462 4.068 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.650 -9.066 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.703 -9.489 4.661 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.335 -10.911 5.643 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.126 -10.906 4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.162 -11.715 5.753 1.00 0.00 H new ATOM 1368 N VAL A 113 1.020 -5.183 -0.891 1.00 0.00 N ATOM 1369 CA VAL A 113 1.917 -4.518 -1.821 1.00 0.00 C ATOM 1370 C VAL A 113 3.288 -4.345 -1.165 1.00 0.00 C ATOM 1371 O VAL A 113 3.484 -4.732 -0.014 1.00 0.00 O ATOM 1372 CB VAL A 113 1.304 -3.196 -2.284 1.00 0.00 C ATOM 1373 CG1 VAL A 113 1.470 -2.111 -1.218 1.00 0.00 C ATOM 1374 CG2 VAL A 113 1.905 -2.750 -3.619 1.00 0.00 C ATOM 0 H VAL A 113 0.803 -4.646 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 113 2.059 -5.125 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 113 0.236 -3.357 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.025 -1.181 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.973 -2.424 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.530 -1.954 -1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.452 -1.807 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.981 -2.616 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.711 -3.509 -4.377 1.00 0.00 H new