USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 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 Set 1.1: A 59 TYR OH : rot -164:sc= -0.145 USER MOD Set 1.2: A 61 ASN : amide:sc= -3.35! C(o=-4!,f=-6.3!) USER MOD Set 1.3: A 73 GLN : amide:sc= -0.508 X(o=-4,f=-3.5) USER MOD Single : A 58 THR OG1 : rot -29:sc= 0.746 USER MOD Single : A 62 THR OG1 : rot 39:sc= 0.495 USER MOD Single : A 63 THR OG1 : rot 180:sc=-0.00248 USER MOD Single : A 66 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.7!) USER MOD Single : A 69 THR OG1 : rot -170:sc= -1.22 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 150:sc= -0.329 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0285 USER MOD ----------------------------------------------------------------- ATOM 591 N THR A 58 -16.289 -1.363 -13.598 1.00 0.00 N ATOM 592 CA THR A 58 -15.328 -2.347 -13.129 1.00 0.00 C ATOM 593 C THR A 58 -13.900 -1.828 -13.314 1.00 0.00 C ATOM 594 O THR A 58 -13.221 -2.194 -14.272 1.00 0.00 O ATOM 595 CB THR A 58 -15.597 -3.660 -13.868 1.00 0.00 C ATOM 596 OG1 THR A 58 -15.862 -3.255 -15.208 1.00 0.00 O ATOM 597 CG2 THR A 58 -16.896 -4.329 -13.416 1.00 0.00 C ATOM 0 HA THR A 58 -15.439 -2.530 -12.060 1.00 0.00 H new ATOM 0 HB THR A 58 -14.763 -4.344 -13.711 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.247 -2.354 -15.207 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.040 -5.256 -13.971 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.840 -4.549 -12.350 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.735 -3.659 -13.605 1.00 0.00 H new ATOM 605 N TYR A 59 -13.486 -0.983 -12.380 1.00 0.00 N ATOM 606 CA TYR A 59 -12.152 -0.411 -12.427 1.00 0.00 C ATOM 607 C TYR A 59 -11.558 -0.286 -11.023 1.00 0.00 C ATOM 608 O TYR A 59 -12.275 -0.404 -10.030 1.00 0.00 O ATOM 609 CB TYR A 59 -12.315 0.989 -13.025 1.00 0.00 C ATOM 610 CG TYR A 59 -12.429 2.101 -11.981 1.00 0.00 C ATOM 611 CD1 TYR A 59 -13.298 1.964 -10.917 1.00 0.00 C ATOM 612 CD2 TYR A 59 -11.662 3.242 -12.102 1.00 0.00 C ATOM 613 CE1 TYR A 59 -13.405 3.012 -9.935 1.00 0.00 C ATOM 614 CE2 TYR A 59 -11.769 4.290 -11.120 1.00 0.00 C ATOM 615 CZ TYR A 59 -12.635 4.123 -10.085 1.00 0.00 C ATOM 616 OH TYR A 59 -12.736 5.112 -9.157 1.00 0.00 O ATOM 0 H TYR A 59 -14.052 -0.681 -11.587 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.485 -1.042 -13.014 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.463 1.198 -13.672 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.205 1.003 -13.655 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -13.898 1.071 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.981 3.349 -12.934 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.081 2.918 -9.098 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.175 5.188 -11.204 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.336 5.934 -9.510 1.00 0.00 H new ATOM 625 N CYS A 60 -10.256 -0.050 -10.984 1.00 0.00 N ATOM 626 CA CYS A 60 -9.558 0.091 -9.718 1.00 0.00 C ATOM 627 C CYS A 60 -9.739 1.530 -9.226 1.00 0.00 C ATOM 628 O CYS A 60 -9.485 2.479 -9.968 1.00 0.00 O ATOM 629 CB CYS A 60 -8.081 -0.287 -9.840 1.00 0.00 C ATOM 630 SG CYS A 60 -7.743 -1.717 -10.931 1.00 0.00 S ATOM 0 H CYS A 60 -9.665 0.047 -11.810 1.00 0.00 H new ATOM 0 HA CYS A 60 -9.983 -0.598 -8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.529 0.576 -10.214 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.693 -0.507 -8.845 1.00 0.00 H new ATOM 634 N ASN A 61 -10.176 1.645 -7.981 1.00 0.00 N ATOM 635 CA ASN A 61 -10.395 2.951 -7.383 1.00 0.00 C ATOM 636 C ASN A 61 -9.115 3.404 -6.677 1.00 0.00 C ATOM 637 O ASN A 61 -8.230 2.593 -6.409 1.00 0.00 O ATOM 638 CB ASN A 61 -11.516 2.900 -6.344 1.00 0.00 C ATOM 639 CG ASN A 61 -11.639 4.234 -5.605 1.00 0.00 C ATOM 640 OD1 ASN A 61 -10.897 4.534 -4.684 1.00 0.00 O ATOM 641 ND2 ASN A 61 -12.615 5.015 -6.059 1.00 0.00 N ATOM 0 H ASN A 61 -10.384 0.855 -7.370 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.672 3.644 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.460 2.663 -6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.318 2.101 -5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.779 5.927 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.200 4.702 -6.834 1.00 0.00 H new ATOM 647 N THR A 62 -9.059 4.697 -6.394 1.00 0.00 N ATOM 648 CA THR A 62 -7.903 5.268 -5.724 1.00 0.00 C ATOM 649 C THR A 62 -8.041 5.123 -4.208 1.00 0.00 C ATOM 650 O THR A 62 -8.925 5.724 -3.600 1.00 0.00 O ATOM 651 CB THR A 62 -7.758 6.719 -6.185 1.00 0.00 C ATOM 652 OG1 THR A 62 -6.532 7.149 -5.599 1.00 0.00 O ATOM 653 CG2 THR A 62 -8.810 7.639 -5.565 1.00 0.00 C ATOM 0 H THR A 62 -9.796 5.366 -6.617 1.00 0.00 H new ATOM 0 HA THR A 62 -6.989 4.736 -5.988 1.00 0.00 H new ATOM 0 HB THR A 62 -7.833 6.763 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.878 6.420 -5.636 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.661 8.657 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.805 7.296 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.714 7.621 -4.479 1.00 0.00 H new ATOM 661 N THR A 63 -7.153 4.320 -3.639 1.00 0.00 N ATOM 662 CA THR A 63 -7.163 4.088 -2.205 1.00 0.00 C ATOM 663 C THR A 63 -5.743 3.841 -1.694 1.00 0.00 C ATOM 664 O THR A 63 -4.854 3.492 -2.467 1.00 0.00 O ATOM 665 CB THR A 63 -8.122 2.930 -1.920 1.00 0.00 C ATOM 666 OG1 THR A 63 -8.310 2.975 -0.508 1.00 0.00 O ATOM 667 CG2 THR A 63 -7.479 1.564 -2.169 1.00 0.00 C ATOM 0 H THR A 63 -6.422 3.822 -4.146 1.00 0.00 H new ATOM 0 HA THR A 63 -7.520 4.965 -1.665 1.00 0.00 H new ATOM 0 HB THR A 63 -9.010 3.031 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.921 2.258 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.201 0.777 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.167 1.493 -3.211 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.610 1.447 -1.521 1.00 0.00 H new ATOM 675 N LEU A 64 -5.574 4.033 -0.393 1.00 0.00 N ATOM 676 CA LEU A 64 -4.278 3.835 0.230 1.00 0.00 C ATOM 677 C LEU A 64 -4.043 2.338 0.448 1.00 0.00 C ATOM 678 O LEU A 64 -4.983 1.546 0.391 1.00 0.00 O ATOM 679 CB LEU A 64 -4.165 4.667 1.509 1.00 0.00 C ATOM 680 CG LEU A 64 -5.031 4.210 2.685 1.00 0.00 C ATOM 681 CD1 LEU A 64 -4.224 3.352 3.660 1.00 0.00 C ATOM 682 CD2 LEU A 64 -5.686 5.405 3.380 1.00 0.00 C ATOM 0 H LEU A 64 -6.314 4.324 0.246 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.483 4.190 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.123 4.666 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.424 5.699 1.272 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.834 3.584 2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.863 3.041 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.846 2.471 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.387 3.932 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.296 5.053 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.913 6.076 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.316 5.939 2.669 1.00 0.00 H new ATOM 693 N ASP A 65 -2.787 1.997 0.693 1.00 0.00 N ATOM 694 CA ASP A 65 -2.418 0.610 0.920 1.00 0.00 C ATOM 695 C ASP A 65 -1.672 0.496 2.249 1.00 0.00 C ATOM 696 O ASP A 65 -1.717 1.410 3.072 1.00 0.00 O ATOM 697 CB ASP A 65 -1.495 0.099 -0.187 1.00 0.00 C ATOM 698 CG ASP A 65 -1.645 -1.388 -0.520 1.00 0.00 C ATOM 699 OD1 ASP A 65 -2.800 -1.863 -0.481 1.00 0.00 O ATOM 700 OD2 ASP A 65 -0.602 -2.014 -0.805 1.00 0.00 O ATOM 0 H ASP A 65 -2.011 2.658 0.739 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.331 0.015 0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.681 0.679 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.462 0.288 0.106 1.00 0.00 H new ATOM 704 N GLN A 66 -1.001 -0.634 2.420 1.00 0.00 N ATOM 705 CA GLN A 66 -0.245 -0.879 3.637 1.00 0.00 C ATOM 706 C GLN A 66 0.757 0.252 3.876 1.00 0.00 C ATOM 707 O GLN A 66 0.914 0.719 5.003 1.00 0.00 O ATOM 708 CB GLN A 66 0.461 -2.235 3.578 1.00 0.00 C ATOM 709 CG GLN A 66 0.796 -2.739 4.984 1.00 0.00 C ATOM 710 CD GLN A 66 1.862 -3.836 4.933 1.00 0.00 C ATOM 711 OE1 GLN A 66 2.609 -3.968 3.979 1.00 0.00 O ATOM 712 NE2 GLN A 66 1.889 -4.613 6.013 1.00 0.00 N ATOM 0 H GLN A 66 -0.965 -1.390 1.736 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.940 -0.904 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.176 -2.959 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.375 -2.148 2.991 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.151 -1.910 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.105 -3.124 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.234 -4.447 6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.565 -5.374 6.077 1.00 0.00 H new ATOM 719 N ILE A 67 1.409 0.660 2.798 1.00 0.00 N ATOM 720 CA ILE A 67 2.392 1.728 2.876 1.00 0.00 C ATOM 721 C ILE A 67 1.774 3.024 2.351 1.00 0.00 C ATOM 722 O ILE A 67 2.457 3.835 1.728 1.00 0.00 O ATOM 723 CB ILE A 67 3.680 1.325 2.155 1.00 0.00 C ATOM 724 CG1 ILE A 67 3.429 1.113 0.660 1.00 0.00 C ATOM 725 CG2 ILE A 67 4.313 0.095 2.809 1.00 0.00 C ATOM 726 CD1 ILE A 67 4.737 0.830 -0.081 1.00 0.00 C ATOM 0 H ILE A 67 1.276 0.270 1.865 1.00 0.00 H new ATOM 0 HA ILE A 67 2.677 1.908 3.913 1.00 0.00 H new ATOM 0 HB ILE A 67 4.394 2.143 2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.739 0.281 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.952 1.998 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.227 -0.170 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.550 0.318 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.614 -0.740 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.530 0.683 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.415 1.674 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.199 -0.069 0.326 1.00 0.00 H new ATOM 737 N GLY A 68 0.485 3.179 2.619 1.00 0.00 N ATOM 738 CA GLY A 68 -0.233 4.364 2.181 1.00 0.00 C ATOM 739 C GLY A 68 0.437 4.992 0.958 1.00 0.00 C ATOM 740 O GLY A 68 0.763 6.177 0.964 1.00 0.00 O ATOM 0 H GLY A 68 -0.080 2.504 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.263 4.101 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.271 5.091 2.992 1.00 0.00 H new ATOM 744 N THR A 69 0.624 4.167 -0.062 1.00 0.00 N ATOM 745 CA THR A 69 1.250 4.626 -1.290 1.00 0.00 C ATOM 746 C THR A 69 0.215 5.285 -2.203 1.00 0.00 C ATOM 747 O THR A 69 0.491 5.552 -3.372 1.00 0.00 O ATOM 748 CB THR A 69 1.957 3.432 -1.936 1.00 0.00 C ATOM 749 OG1 THR A 69 3.264 3.454 -1.368 1.00 0.00 O ATOM 750 CG2 THR A 69 2.199 3.634 -3.433 1.00 0.00 C ATOM 0 H THR A 69 0.353 3.184 -0.063 1.00 0.00 H new ATOM 0 HA THR A 69 1.996 5.395 -1.089 1.00 0.00 H new ATOM 0 HB THR A 69 1.362 2.532 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.838 2.817 -1.843 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.703 2.758 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.244 3.773 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.822 4.515 -3.585 1.00 0.00 H new ATOM 758 N CYS A 70 -0.957 5.530 -1.635 1.00 0.00 N ATOM 759 CA CYS A 70 -2.037 6.152 -2.384 1.00 0.00 C ATOM 760 C CYS A 70 -1.942 5.688 -3.838 1.00 0.00 C ATOM 761 O CYS A 70 -1.272 6.321 -4.654 1.00 0.00 O ATOM 762 CB CYS A 70 -1.998 7.677 -2.267 1.00 0.00 C ATOM 763 SG CYS A 70 -3.640 8.483 -2.195 1.00 0.00 S ATOM 0 H CYS A 70 -1.183 5.309 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.997 5.845 -1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.438 7.944 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.449 8.079 -3.118 1.00 0.00 H new ATOM 0 HG CYS A 70 -3.488 9.770 -2.095 1.00 0.00 H new ATOM 767 N TRP A 71 -2.623 4.588 -4.120 1.00 0.00 N ATOM 768 CA TRP A 71 -2.624 4.032 -5.463 1.00 0.00 C ATOM 769 C TRP A 71 -3.755 4.697 -6.249 1.00 0.00 C ATOM 770 O TRP A 71 -4.911 4.662 -5.831 1.00 0.00 O ATOM 771 CB TRP A 71 -2.741 2.507 -5.425 1.00 0.00 C ATOM 772 CG TRP A 71 -1.593 1.814 -4.687 1.00 0.00 C ATOM 773 CD1 TRP A 71 -1.584 1.341 -3.434 1.00 0.00 C ATOM 774 CD2 TRP A 71 -0.278 1.532 -5.213 1.00 0.00 C ATOM 775 NE1 TRP A 71 -0.366 0.778 -3.114 1.00 0.00 N ATOM 776 CE2 TRP A 71 0.454 0.899 -4.230 1.00 0.00 C ATOM 777 CE3 TRP A 71 0.274 1.805 -6.477 1.00 0.00 C ATOM 778 CZ2 TRP A 71 1.780 0.484 -4.408 1.00 0.00 C ATOM 779 CZ3 TRP A 71 1.600 1.385 -6.639 1.00 0.00 C ATOM 780 CH2 TRP A 71 2.350 0.745 -5.659 1.00 0.00 C ATOM 0 H TRP A 71 -3.178 4.066 -3.442 1.00 0.00 H new ATOM 0 HA TRP A 71 -1.680 4.240 -5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -3.683 2.237 -4.947 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.783 2.130 -6.447 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.425 1.394 -2.759 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.114 0.351 -2.223 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.281 2.299 -7.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 2.332 -0.010 -3.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 2.073 1.571 -7.592 1.00 0.00 H new ATOM 0 HH2 TRP A 71 3.369 0.450 -5.862 1.00 0.00 H new ATOM 790 N PRO A 72 -3.372 5.306 -7.404 1.00 0.00 N ATOM 791 CA PRO A 72 -4.341 5.979 -8.252 1.00 0.00 C ATOM 792 C PRO A 72 -5.189 4.966 -9.025 1.00 0.00 C ATOM 793 O PRO A 72 -4.711 3.889 -9.377 1.00 0.00 O ATOM 794 CB PRO A 72 -3.514 6.875 -9.158 1.00 0.00 C ATOM 795 CG PRO A 72 -2.096 6.330 -9.104 1.00 0.00 C ATOM 796 CD PRO A 72 -2.012 5.367 -7.931 1.00 0.00 C ATOM 0 HA PRO A 72 -5.062 6.566 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.899 6.861 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.547 7.910 -8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.847 5.821 -10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.379 7.142 -8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.666 4.384 -8.250 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.310 5.722 -7.176 1.00 0.00 H new ATOM 801 N GLN A 73 -6.434 5.349 -9.268 1.00 0.00 N ATOM 802 CA GLN A 73 -7.354 4.488 -9.993 1.00 0.00 C ATOM 803 C GLN A 73 -6.620 3.753 -11.115 1.00 0.00 C ATOM 804 O GLN A 73 -5.572 4.204 -11.576 1.00 0.00 O ATOM 805 CB GLN A 73 -8.536 5.289 -10.544 1.00 0.00 C ATOM 806 CG GLN A 73 -9.429 5.798 -9.411 1.00 0.00 C ATOM 807 CD GLN A 73 -9.787 7.272 -9.614 1.00 0.00 C ATOM 808 OE1 GLN A 73 -10.878 7.620 -10.034 1.00 0.00 O ATOM 809 NE2 GLN A 73 -8.810 8.114 -9.293 1.00 0.00 N ATOM 0 H GLN A 73 -6.827 6.244 -8.976 1.00 0.00 H new ATOM 0 HA GLN A 73 -7.751 3.747 -9.299 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.168 6.132 -11.128 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.120 4.664 -11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.340 5.202 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.918 5.672 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.920 7.755 -8.947 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.950 9.119 -9.393 1.00 0.00 H new ATOM 816 N SER A 74 -7.197 2.633 -11.524 1.00 0.00 N ATOM 817 CA SER A 74 -6.611 1.830 -12.583 1.00 0.00 C ATOM 818 C SER A 74 -7.686 0.961 -13.238 1.00 0.00 C ATOM 819 O SER A 74 -8.879 1.181 -13.030 1.00 0.00 O ATOM 820 CB SER A 74 -5.475 0.956 -12.047 1.00 0.00 C ATOM 821 OG SER A 74 -4.532 1.710 -11.290 1.00 0.00 O ATOM 0 H SER A 74 -8.066 2.262 -11.140 1.00 0.00 H new ATOM 0 HA SER A 74 -6.193 2.504 -13.331 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.890 0.164 -11.423 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.966 0.472 -12.880 1.00 0.00 H new ATOM 0 HG SER A 74 -4.134 1.138 -10.601 1.00 0.00 H new ATOM 826 N ALA A 75 -7.227 -0.008 -14.015 1.00 0.00 N ATOM 827 CA ALA A 75 -8.134 -0.911 -14.702 1.00 0.00 C ATOM 828 C ALA A 75 -7.909 -2.337 -14.193 1.00 0.00 C ATOM 829 O ALA A 75 -6.895 -2.621 -13.558 1.00 0.00 O ATOM 830 CB ALA A 75 -7.928 -0.792 -16.213 1.00 0.00 C ATOM 0 H ALA A 75 -6.237 -0.188 -14.184 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.170 -0.645 -14.493 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.609 -1.470 -16.728 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.129 0.232 -16.528 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.899 -1.053 -16.462 1.00 0.00 H new ATOM 836 N PRO A 76 -8.897 -3.219 -14.501 1.00 0.00 N ATOM 837 CA PRO A 76 -8.817 -4.608 -14.082 1.00 0.00 C ATOM 838 C PRO A 76 -7.813 -5.382 -14.939 1.00 0.00 C ATOM 839 O PRO A 76 -7.631 -5.077 -16.117 1.00 0.00 O ATOM 840 CB PRO A 76 -10.236 -5.138 -14.206 1.00 0.00 C ATOM 841 CG PRO A 76 -10.965 -4.171 -15.125 1.00 0.00 C ATOM 842 CD PRO A 76 -10.113 -2.919 -15.252 1.00 0.00 C ATOM 0 HA PRO A 76 -8.452 -4.719 -13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.241 -6.147 -14.618 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.720 -5.190 -13.231 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.128 -4.623 -16.103 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.947 -3.926 -14.720 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.889 -2.697 -16.295 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.626 -2.048 -14.844 1.00 0.00 H new ATOM 847 N GLY A 77 -7.187 -6.369 -14.314 1.00 0.00 N ATOM 848 CA GLY A 77 -6.206 -7.188 -15.004 1.00 0.00 C ATOM 849 C GLY A 77 -5.021 -6.342 -15.479 1.00 0.00 C ATOM 850 O GLY A 77 -4.559 -6.495 -16.608 1.00 0.00 O ATOM 0 H GLY A 77 -7.341 -6.619 -13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.852 -7.975 -14.339 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.673 -7.679 -15.858 1.00 0.00 H new ATOM 854 N ALA A 78 -4.565 -5.471 -14.591 1.00 0.00 N ATOM 855 CA ALA A 78 -3.443 -4.603 -14.905 1.00 0.00 C ATOM 856 C ALA A 78 -2.254 -4.970 -14.015 1.00 0.00 C ATOM 857 O ALA A 78 -2.283 -5.985 -13.321 1.00 0.00 O ATOM 858 CB ALA A 78 -3.867 -3.142 -14.737 1.00 0.00 C ATOM 0 H ALA A 78 -4.952 -5.348 -13.655 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.132 -4.737 -15.941 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.026 -2.490 -14.972 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.695 -2.924 -15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.182 -2.971 -13.708 1.00 0.00 H new ATOM 864 N LEU A 79 -1.235 -4.125 -14.063 1.00 0.00 N ATOM 865 CA LEU A 79 -0.039 -4.347 -13.271 1.00 0.00 C ATOM 866 C LEU A 79 0.526 -2.999 -12.817 1.00 0.00 C ATOM 867 O LEU A 79 1.148 -2.287 -13.603 1.00 0.00 O ATOM 868 CB LEU A 79 0.965 -5.205 -14.044 1.00 0.00 C ATOM 869 CG LEU A 79 1.500 -6.436 -13.311 1.00 0.00 C ATOM 870 CD1 LEU A 79 1.234 -7.712 -14.114 1.00 0.00 C ATOM 871 CD2 LEU A 79 2.983 -6.272 -12.973 1.00 0.00 C ATOM 0 H LEU A 79 -1.214 -3.284 -14.640 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.279 -4.912 -12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.494 -5.534 -14.970 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.811 -4.577 -14.323 1.00 0.00 H new ATOM 0 HG LEU A 79 0.963 -6.531 -12.367 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.624 -8.572 -13.570 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.161 -7.832 -14.261 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.727 -7.641 -15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.338 -7.161 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.553 -6.138 -13.892 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.116 -5.400 -12.333 1.00 0.00 H new ATOM 882 N VAL A 80 0.289 -2.692 -11.551 1.00 0.00 N ATOM 883 CA VAL A 80 0.767 -1.442 -10.982 1.00 0.00 C ATOM 884 C VAL A 80 2.013 -1.714 -10.139 1.00 0.00 C ATOM 885 O VAL A 80 2.075 -1.325 -8.973 1.00 0.00 O ATOM 886 CB VAL A 80 -0.354 -0.764 -10.192 1.00 0.00 C ATOM 887 CG1 VAL A 80 0.072 0.627 -9.718 1.00 0.00 C ATOM 888 CG2 VAL A 80 -1.640 -0.692 -11.018 1.00 0.00 C ATOM 0 H VAL A 80 -0.227 -3.286 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 80 1.055 -0.748 -11.772 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.556 -1.371 -9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.743 1.087 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.948 0.540 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.315 1.247 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.421 -0.206 -10.434 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.457 -0.119 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.959 -1.700 -11.283 1.00 0.00 H new ATOM 898 N GLU A 81 2.976 -2.379 -10.759 1.00 0.00 N ATOM 899 CA GLU A 81 4.218 -2.707 -10.079 1.00 0.00 C ATOM 900 C GLU A 81 5.224 -1.564 -10.229 1.00 0.00 C ATOM 901 O GLU A 81 5.215 -0.853 -11.233 1.00 0.00 O ATOM 902 CB GLU A 81 4.799 -4.021 -10.605 1.00 0.00 C ATOM 903 CG GLU A 81 5.380 -3.842 -12.009 1.00 0.00 C ATOM 904 CD GLU A 81 6.183 -5.073 -12.432 1.00 0.00 C ATOM 905 OE1 GLU A 81 5.575 -6.165 -12.458 1.00 0.00 O ATOM 906 OE2 GLU A 81 7.386 -4.894 -12.719 1.00 0.00 O ATOM 0 H GLU A 81 2.922 -2.700 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 81 4.005 -2.840 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.577 -4.375 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.021 -4.784 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.573 -3.668 -12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.021 -2.960 -12.031 1.00 0.00 H new ATOM 911 N ARG A 82 6.066 -1.422 -9.216 1.00 0.00 N ATOM 912 CA ARG A 82 7.076 -0.378 -9.222 1.00 0.00 C ATOM 913 C ARG A 82 8.411 -0.927 -8.716 1.00 0.00 C ATOM 914 O ARG A 82 8.502 -1.405 -7.586 1.00 0.00 O ATOM 915 CB ARG A 82 6.652 0.803 -8.346 1.00 0.00 C ATOM 916 CG ARG A 82 5.226 1.246 -8.675 1.00 0.00 C ATOM 917 CD ARG A 82 5.216 2.252 -9.827 1.00 0.00 C ATOM 918 NE ARG A 82 4.055 2.001 -10.710 1.00 0.00 N ATOM 919 CZ ARG A 82 3.696 2.800 -11.724 1.00 0.00 C ATOM 920 NH1 ARG A 82 4.405 3.905 -11.991 1.00 0.00 N ATOM 921 NH2 ARG A 82 2.628 2.493 -12.473 1.00 0.00 N ATOM 0 H ARG A 82 6.069 -2.013 -8.385 1.00 0.00 H new ATOM 0 HA ARG A 82 7.189 -0.032 -10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.716 0.522 -7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.339 1.636 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.624 0.377 -8.941 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.768 1.693 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.171 3.267 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.141 2.172 -10.398 1.00 0.00 H new ATOM 0 HE ARG A 82 3.493 1.168 -10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.219 4.139 -11.422 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.131 4.513 -12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.088 1.651 -12.271 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.355 3.101 -13.245 1.00 0.00 H new ATOM 1166 N ALA A 99 8.280 -2.536 -5.139 1.00 0.00 N ATOM 1167 CA ALA A 99 7.021 -3.178 -4.803 1.00 0.00 C ATOM 1168 C ALA A 99 6.377 -3.729 -6.077 1.00 0.00 C ATOM 1169 O ALA A 99 6.908 -3.549 -7.172 1.00 0.00 O ATOM 1170 CB ALA A 99 6.117 -2.181 -4.077 1.00 0.00 C ATOM 0 HA ALA A 99 7.187 -4.018 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.172 -2.663 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.607 -1.844 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.926 -1.325 -4.724 1.00 0.00 H new ATOM 1176 N TYR A 100 5.244 -4.389 -5.892 1.00 0.00 N ATOM 1177 CA TYR A 100 4.522 -4.967 -7.013 1.00 0.00 C ATOM 1178 C TYR A 100 3.043 -5.162 -6.672 1.00 0.00 C ATOM 1179 O TYR A 100 2.697 -6.027 -5.868 1.00 0.00 O ATOM 1180 CB TYR A 100 5.160 -6.334 -7.265 1.00 0.00 C ATOM 1181 CG TYR A 100 6.484 -6.272 -8.029 1.00 0.00 C ATOM 1182 CD1 TYR A 100 7.657 -5.995 -7.358 1.00 0.00 C ATOM 1183 CD2 TYR A 100 6.505 -6.493 -9.392 1.00 0.00 C ATOM 1184 CE1 TYR A 100 8.902 -5.936 -8.077 1.00 0.00 C ATOM 1185 CE2 TYR A 100 7.751 -6.435 -10.112 1.00 0.00 C ATOM 1186 CZ TYR A 100 8.888 -6.160 -9.418 1.00 0.00 C ATOM 1187 OH TYR A 100 10.065 -6.104 -10.099 1.00 0.00 O ATOM 0 H TYR A 100 4.807 -4.537 -4.982 1.00 0.00 H new ATOM 0 HA TYR A 100 4.577 -4.313 -7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.328 -6.827 -6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.459 -6.953 -7.824 1.00 0.00 H new ATOM 0 HD1 TYR A 100 7.641 -5.822 -6.292 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.587 -6.709 -9.918 1.00 0.00 H new ATOM 0 HE1 TYR A 100 9.827 -5.719 -7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.782 -6.606 -11.178 1.00 0.00 H new ATOM 0 HH TYR A 100 9.903 -6.286 -11.048 1.00 0.00 H new ATOM 1196 N ARG A 101 2.211 -4.344 -7.299 1.00 0.00 N ATOM 1197 CA ARG A 101 0.778 -4.416 -7.072 1.00 0.00 C ATOM 1198 C ARG A 101 0.038 -4.584 -8.399 1.00 0.00 C ATOM 1199 O ARG A 101 0.223 -3.792 -9.322 1.00 0.00 O ATOM 1200 CB ARG A 101 0.268 -3.157 -6.367 1.00 0.00 C ATOM 1201 CG ARG A 101 -0.203 -3.477 -4.946 1.00 0.00 C ATOM 1202 CD ARG A 101 -1.360 -2.563 -4.535 1.00 0.00 C ATOM 1203 NE ARG A 101 -2.302 -3.301 -3.666 1.00 0.00 N ATOM 1204 CZ ARG A 101 -3.228 -2.717 -2.894 1.00 0.00 C ATOM 1205 NH1 ARG A 101 -3.341 -1.382 -2.877 1.00 0.00 N ATOM 1206 NH2 ARG A 101 -4.042 -3.467 -2.138 1.00 0.00 N ATOM 0 H ARG A 101 2.502 -3.628 -7.964 1.00 0.00 H new ATOM 0 HA ARG A 101 0.587 -5.279 -6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.060 -2.409 -6.332 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.554 -2.724 -6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.519 -4.519 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.626 -3.357 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.975 -1.689 -4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.879 -2.198 -5.421 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.243 -4.319 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.722 -0.810 -3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.046 -0.937 -2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.957 -4.483 -2.150 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.747 -3.021 -1.551 1.00 0.00 H new ATOM 1217 N GLU A 102 -0.786 -5.621 -8.454 1.00 0.00 N ATOM 1218 CA GLU A 102 -1.555 -5.902 -9.654 1.00 0.00 C ATOM 1219 C GLU A 102 -3.041 -5.635 -9.407 1.00 0.00 C ATOM 1220 O GLU A 102 -3.474 -5.527 -8.261 1.00 0.00 O ATOM 1221 CB GLU A 102 -1.327 -7.340 -10.127 1.00 0.00 C ATOM 1222 CG GLU A 102 -1.816 -8.344 -9.081 1.00 0.00 C ATOM 1223 CD GLU A 102 -1.554 -9.782 -9.537 1.00 0.00 C ATOM 1224 OE1 GLU A 102 -0.374 -10.189 -9.481 1.00 0.00 O ATOM 1225 OE2 GLU A 102 -2.542 -10.440 -9.931 1.00 0.00 O ATOM 0 H GLU A 102 -0.937 -6.276 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.213 -5.235 -10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.852 -7.505 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.266 -7.499 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.311 -8.162 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.883 -8.203 -8.906 1.00 0.00 H new ATOM 1230 N CYS A 103 -3.781 -5.538 -10.501 1.00 0.00 N ATOM 1231 CA CYS A 103 -5.210 -5.285 -10.418 1.00 0.00 C ATOM 1232 C CYS A 103 -5.947 -6.502 -10.982 1.00 0.00 C ATOM 1233 O CYS A 103 -5.815 -6.819 -12.164 1.00 0.00 O ATOM 1234 CB CYS A 103 -5.600 -3.995 -11.143 1.00 0.00 C ATOM 1235 SG CYS A 103 -6.134 -2.630 -10.046 1.00 0.00 S ATOM 0 H CYS A 103 -3.418 -5.630 -11.450 1.00 0.00 H new ATOM 0 HA CYS A 103 -5.496 -5.139 -9.376 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.750 -3.656 -11.734 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -6.406 -4.217 -11.842 1.00 0.00 H new ATOM 1239 N LEU A 104 -6.708 -7.149 -10.112 1.00 0.00 N ATOM 1240 CA LEU A 104 -7.465 -8.324 -10.509 1.00 0.00 C ATOM 1241 C LEU A 104 -8.369 -7.966 -11.690 1.00 0.00 C ATOM 1242 O LEU A 104 -8.524 -6.794 -12.026 1.00 0.00 O ATOM 1243 CB LEU A 104 -8.219 -8.905 -9.311 1.00 0.00 C ATOM 1244 CG LEU A 104 -7.686 -10.229 -8.761 1.00 0.00 C ATOM 1245 CD1 LEU A 104 -8.294 -10.539 -7.392 1.00 0.00 C ATOM 1246 CD2 LEU A 104 -7.911 -11.367 -9.759 1.00 0.00 C ATOM 0 H LEU A 104 -6.817 -6.882 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.795 -9.114 -10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.206 -8.169 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.261 -9.046 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.610 -10.132 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.898 -11.486 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.040 -9.743 -6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -9.378 -10.610 -7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.523 -12.297 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.978 -11.474 -9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.392 -11.142 -10.691 1.00 0.00 H new ATOM 1257 N GLU A 105 -8.943 -9.000 -12.289 1.00 0.00 N ATOM 1258 CA GLU A 105 -9.827 -8.810 -13.426 1.00 0.00 C ATOM 1259 C GLU A 105 -11.210 -8.356 -12.954 1.00 0.00 C ATOM 1260 O GLU A 105 -12.114 -8.159 -13.764 1.00 0.00 O ATOM 1261 CB GLU A 105 -9.926 -10.087 -14.264 1.00 0.00 C ATOM 1262 CG GLU A 105 -10.620 -11.204 -13.481 1.00 0.00 C ATOM 1263 CD GLU A 105 -10.839 -12.435 -14.361 1.00 0.00 C ATOM 1264 OE1 GLU A 105 -9.824 -12.959 -14.869 1.00 0.00 O ATOM 1265 OE2 GLU A 105 -12.018 -12.827 -14.506 1.00 0.00 O ATOM 0 H GLU A 105 -8.813 -9.972 -12.008 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.407 -8.030 -14.061 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.479 -9.883 -15.181 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.928 -10.411 -14.559 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.017 -11.475 -12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.578 -10.847 -13.103 1.00 0.00 H new ATOM 1270 N ASN A 106 -11.331 -8.203 -11.643 1.00 0.00 N ATOM 1271 CA ASN A 106 -12.588 -7.777 -11.053 1.00 0.00 C ATOM 1272 C ASN A 106 -12.531 -6.273 -10.777 1.00 0.00 C ATOM 1273 O ASN A 106 -13.505 -5.688 -10.303 1.00 0.00 O ATOM 1274 CB ASN A 106 -12.843 -8.491 -9.724 1.00 0.00 C ATOM 1275 CG ASN A 106 -14.140 -9.303 -9.779 1.00 0.00 C ATOM 1276 OD1 ASN A 106 -15.083 -9.064 -9.043 1.00 0.00 O ATOM 1277 ND2 ASN A 106 -14.132 -10.273 -10.689 1.00 0.00 N ATOM 0 H ASN A 106 -10.579 -8.367 -10.973 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.388 -8.019 -11.752 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.006 -9.151 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.902 -7.759 -8.919 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.950 -10.872 -10.803 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.308 -10.418 -11.273 1.00 0.00 H new ATOM 1283 N GLY A 107 -11.383 -5.689 -11.085 1.00 0.00 N ATOM 1284 CA GLY A 107 -11.187 -4.264 -10.877 1.00 0.00 C ATOM 1285 C GLY A 107 -10.798 -3.971 -9.426 1.00 0.00 C ATOM 1286 O GLY A 107 -11.022 -2.868 -8.931 1.00 0.00 O ATOM 0 H GLY A 107 -10.578 -6.177 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.409 -3.899 -11.547 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.102 -3.727 -11.128 1.00 0.00 H new ATOM 1290 N THR A 108 -10.222 -4.978 -8.787 1.00 0.00 N ATOM 1291 CA THR A 108 -9.800 -4.842 -7.403 1.00 0.00 C ATOM 1292 C THR A 108 -8.280 -4.682 -7.323 1.00 0.00 C ATOM 1293 O THR A 108 -7.589 -4.761 -8.338 1.00 0.00 O ATOM 1294 CB THR A 108 -10.325 -6.051 -6.627 1.00 0.00 C ATOM 1295 OG1 THR A 108 -9.943 -7.169 -7.425 1.00 0.00 O ATOM 1296 CG2 THR A 108 -11.854 -6.113 -6.605 1.00 0.00 C ATOM 0 H THR A 108 -10.037 -5.891 -9.202 1.00 0.00 H new ATOM 0 HA THR A 108 -10.215 -3.942 -6.950 1.00 0.00 H new ATOM 0 HB THR A 108 -9.948 -6.018 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.243 -7.996 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.175 -6.989 -6.042 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.248 -5.214 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.230 -6.180 -7.626 1.00 0.00 H new ATOM 1304 N TRP A 109 -7.804 -4.460 -6.107 1.00 0.00 N ATOM 1305 CA TRP A 109 -6.378 -4.289 -5.881 1.00 0.00 C ATOM 1306 C TRP A 109 -5.803 -5.640 -5.452 1.00 0.00 C ATOM 1307 O TRP A 109 -6.496 -6.654 -5.487 1.00 0.00 O ATOM 1308 CB TRP A 109 -6.114 -3.176 -4.865 1.00 0.00 C ATOM 1309 CG TRP A 109 -5.912 -1.796 -5.493 1.00 0.00 C ATOM 1310 CD1 TRP A 109 -6.610 -0.674 -5.266 1.00 0.00 C ATOM 1311 CD2 TRP A 109 -4.910 -1.433 -6.468 1.00 0.00 C ATOM 1312 NE1 TRP A 109 -6.134 0.379 -6.020 1.00 0.00 N ATOM 1313 CE2 TRP A 109 -5.068 -0.096 -6.773 1.00 0.00 C ATOM 1314 CE3 TRP A 109 -3.904 -2.208 -7.071 1.00 0.00 C ATOM 1315 CZ2 TRP A 109 -4.256 0.582 -7.690 1.00 0.00 C ATOM 1316 CZ3 TRP A 109 -3.101 -1.516 -7.984 1.00 0.00 C ATOM 1317 CH2 TRP A 109 -3.247 -0.171 -8.303 1.00 0.00 C ATOM 0 H TRP A 109 -8.380 -4.394 -5.268 1.00 0.00 H new ATOM 0 HA TRP A 109 -5.877 -3.972 -6.796 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -6.951 -3.128 -4.168 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -5.229 -3.432 -4.283 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.441 -0.603 -4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -6.498 1.332 -6.024 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -3.762 -3.255 -6.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -4.400 1.629 -7.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -2.312 -2.066 -8.476 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -2.585 0.291 -9.020 1.00 0.00 H new ATOM 1327 N ALA A 110 -4.538 -5.607 -5.053 1.00 0.00 N ATOM 1328 CA ALA A 110 -3.861 -6.817 -4.617 1.00 0.00 C ATOM 1329 C ALA A 110 -4.169 -7.063 -3.139 1.00 0.00 C ATOM 1330 O ALA A 110 -5.277 -6.792 -2.678 1.00 0.00 O ATOM 1331 CB ALA A 110 -2.360 -6.687 -4.887 1.00 0.00 C ATOM 0 H ALA A 110 -3.966 -4.763 -5.023 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.219 -7.681 -5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.852 -7.594 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -2.194 -6.542 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.964 -5.832 -4.339 1.00 0.00 H new ATOM 1337 N SER A 111 -3.169 -7.575 -2.436 1.00 0.00 N ATOM 1338 CA SER A 111 -3.319 -7.862 -1.020 1.00 0.00 C ATOM 1339 C SER A 111 -2.882 -6.651 -0.192 1.00 0.00 C ATOM 1340 O SER A 111 -3.561 -6.267 0.760 1.00 0.00 O ATOM 1341 CB SER A 111 -2.511 -9.097 -0.619 1.00 0.00 C ATOM 1342 OG SER A 111 -1.463 -9.374 -1.545 1.00 0.00 O ATOM 0 H SER A 111 -2.251 -7.798 -2.821 1.00 0.00 H new ATOM 0 HA SER A 111 -4.371 -8.070 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.087 -8.946 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.175 -9.959 -0.554 1.00 0.00 H new ATOM 0 HG SER A 111 -0.970 -10.169 -1.253 1.00 0.00 H new ATOM 1347 N ARG A 112 -1.751 -6.082 -0.584 1.00 0.00 N ATOM 1348 CA ARG A 112 -1.216 -4.923 0.109 1.00 0.00 C ATOM 1349 C ARG A 112 0.228 -4.665 -0.325 1.00 0.00 C ATOM 1350 O ARG A 112 1.106 -4.472 0.515 1.00 0.00 O ATOM 1351 CB ARG A 112 -1.260 -5.120 1.625 1.00 0.00 C ATOM 1352 CG ARG A 112 -2.479 -4.426 2.234 1.00 0.00 C ATOM 1353 CD ARG A 112 -3.122 -5.297 3.317 1.00 0.00 C ATOM 1354 NE ARG A 112 -4.517 -4.863 3.553 1.00 0.00 N ATOM 1355 CZ ARG A 112 -5.326 -5.402 4.475 1.00 0.00 C ATOM 1356 NH1 ARG A 112 -4.883 -6.400 5.253 1.00 0.00 N ATOM 1357 NH2 ARG A 112 -6.577 -4.944 4.621 1.00 0.00 N ATOM 0 H ARG A 112 -1.190 -6.403 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.835 -4.065 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.291 -6.185 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.349 -4.723 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.181 -3.469 2.662 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.209 -4.213 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.105 -6.343 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.549 -5.225 4.241 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.886 -4.106 2.978 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.931 -6.748 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -5.498 -6.811 5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -6.914 -4.184 4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -7.192 -5.355 5.323 1.00 0.00 H new ATOM 1368 N VAL A 113 0.429 -4.671 -1.634 1.00 0.00 N ATOM 1369 CA VAL A 113 1.752 -4.440 -2.189 1.00 0.00 C ATOM 1370 C VAL A 113 2.769 -5.314 -1.453 1.00 0.00 C ATOM 1371 O VAL A 113 2.405 -6.083 -0.564 1.00 0.00 O ATOM 1372 CB VAL A 113 2.092 -2.949 -2.129 1.00 0.00 C ATOM 1373 CG1 VAL A 113 2.797 -2.600 -0.817 1.00 0.00 C ATOM 1374 CG2 VAL A 113 2.937 -2.531 -3.334 1.00 0.00 C ATOM 0 H VAL A 113 -0.302 -4.832 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 113 1.779 -4.724 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 113 1.157 -2.390 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.027 -1.535 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.145 -2.844 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.721 -3.172 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.165 -1.467 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.866 -3.101 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.383 -2.726 -4.252 1.00 0.00 H new