USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 583 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 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc=-0.00425 X(o=-0.0043,f=-0.0043) USER MOD Single : A 95 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.057) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc=-0.00859 K(o=-0.0086,f=-0.52) USER MOD Single : A 121 GLN : amide:sc=-0.00927 K(o=-0.0093,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.710 17.837 8.203 1.00 0.00 N ATOM 575 CA ASN A 56 -2.537 17.399 7.453 1.00 0.00 C ATOM 576 C ASN A 56 -2.102 16.014 7.949 1.00 0.00 C ATOM 577 O ASN A 56 -1.500 15.220 7.219 1.00 0.00 O ATOM 578 CB ASN A 56 -1.421 18.467 7.606 1.00 0.00 C ATOM 579 CG ASN A 56 -1.714 19.714 6.802 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.574 19.741 5.580 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.128 20.785 7.452 1.00 0.00 N ATOM 0 HA ASN A 56 -2.763 17.302 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.314 18.731 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.469 18.045 7.285 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.335 21.643 6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.242 20.754 8.465 1.00 0.00 H new ATOM 588 N SER A 57 -2.441 15.639 9.218 1.00 0.00 N ATOM 589 CA SER A 57 -2.194 14.318 9.798 1.00 0.00 C ATOM 590 C SER A 57 -3.106 13.271 9.165 1.00 0.00 C ATOM 591 O SER A 57 -2.687 12.148 8.866 1.00 0.00 O ATOM 592 CB SER A 57 -2.397 14.393 11.331 1.00 0.00 C ATOM 593 OG SER A 57 -1.848 13.254 11.963 1.00 0.00 O ATOM 0 H SER A 57 -2.904 16.275 9.867 1.00 0.00 H new ATOM 0 HA SER A 57 -1.167 14.015 9.593 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.926 15.295 11.722 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.460 14.465 11.559 1.00 0.00 H new ATOM 0 HG SER A 57 -1.984 13.320 12.931 1.00 0.00 H new ATOM 599 N HIS A 58 -4.376 13.623 8.880 1.00 0.00 N ATOM 600 CA HIS A 58 -5.369 12.753 8.189 1.00 0.00 C ATOM 601 C HIS A 58 -4.839 12.413 6.795 1.00 0.00 C ATOM 602 O HIS A 58 -4.972 11.276 6.342 1.00 0.00 O ATOM 603 CB HIS A 58 -6.751 13.371 8.213 1.00 0.00 C ATOM 604 CG HIS A 58 -7.737 12.616 7.359 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.351 13.098 6.215 1.00 0.00 N ATOM 606 CD2 HIS A 58 -8.134 11.321 7.545 1.00 0.00 C ATOM 607 CE1 HIS A 58 -9.113 12.105 5.713 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.999 11.016 6.506 1.00 0.00 N ATOM 0 H HIS A 58 -4.755 14.538 9.126 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.492 11.808 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.114 13.401 9.240 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.690 14.402 7.866 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.832 10.663 8.346 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.718 12.169 4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.469 10.122 6.364 1.00 0.00 H new ATOM 617 N PHE A 59 -4.255 13.395 6.078 1.00 0.00 N ATOM 618 CA PHE A 59 -3.748 13.183 4.710 1.00 0.00 C ATOM 619 C PHE A 59 -2.629 12.095 4.758 1.00 0.00 C ATOM 620 O PHE A 59 -2.647 11.188 3.925 1.00 0.00 O ATOM 621 CB PHE A 59 -3.132 14.468 4.143 1.00 0.00 C ATOM 622 CG PHE A 59 -2.458 14.252 2.799 1.00 0.00 C ATOM 623 CD1 PHE A 59 -3.228 13.934 1.662 1.00 0.00 C ATOM 624 CD2 PHE A 59 -1.052 14.283 2.702 1.00 0.00 C ATOM 625 CE1 PHE A 59 -2.594 13.646 0.439 1.00 0.00 C ATOM 626 CE2 PHE A 59 -0.421 13.997 1.478 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.191 13.675 0.348 1.00 0.00 C ATOM 0 H PHE A 59 -4.123 14.345 6.427 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.581 12.877 4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.911 15.223 4.037 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.402 14.860 4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.306 13.911 1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.458 14.527 3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.186 13.402 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.656 14.025 1.407 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.706 13.450 -0.590 1.00 0.00 H new ATOM 637 N PHE A 60 -1.710 12.147 5.737 1.00 0.00 N ATOM 638 CA PHE A 60 -0.689 11.112 5.929 1.00 0.00 C ATOM 639 C PHE A 60 -1.320 9.727 6.092 1.00 0.00 C ATOM 640 O PHE A 60 -0.982 8.819 5.340 1.00 0.00 O ATOM 641 CB PHE A 60 0.191 11.423 7.143 1.00 0.00 C ATOM 642 CG PHE A 60 1.050 10.243 7.567 1.00 0.00 C ATOM 643 CD1 PHE A 60 1.988 9.703 6.671 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.831 9.610 8.809 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.693 8.537 7.011 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.552 8.451 9.153 1.00 0.00 C ATOM 647 CZ PHE A 60 2.480 7.911 8.247 1.00 0.00 C ATOM 0 H PHE A 60 -1.657 12.908 6.415 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.067 11.107 5.034 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.836 12.271 6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.443 11.724 7.978 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.167 10.185 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.107 10.017 9.499 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.405 8.119 6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.392 7.978 10.111 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.028 7.016 8.502 1.00 0.00 H new ATOM 657 N VAL A 61 -2.256 9.569 7.036 1.00 0.00 N ATOM 658 CA VAL A 61 -2.957 8.297 7.283 1.00 0.00 C ATOM 659 C VAL A 61 -3.584 7.758 5.993 1.00 0.00 C ATOM 660 O VAL A 61 -3.458 6.572 5.702 1.00 0.00 O ATOM 661 CB VAL A 61 -4.025 8.460 8.386 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.796 7.156 8.641 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.417 8.940 9.717 1.00 0.00 C ATOM 0 H VAL A 61 -2.552 10.323 7.655 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.222 7.571 7.630 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.714 9.218 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.536 7.318 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.299 6.846 7.725 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.101 6.378 8.955 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.206 9.040 10.462 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.681 8.215 10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.933 9.905 9.569 1.00 0.00 H new ATOM 673 N ALA A 62 -4.201 8.632 5.191 1.00 0.00 N ATOM 674 CA ALA A 62 -4.794 8.271 3.900 1.00 0.00 C ATOM 675 C ALA A 62 -3.741 7.752 2.898 1.00 0.00 C ATOM 676 O ALA A 62 -3.867 6.635 2.389 1.00 0.00 O ATOM 677 CB ALA A 62 -5.579 9.468 3.347 1.00 0.00 C ATOM 0 H ALA A 62 -4.304 9.620 5.423 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.485 7.442 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.021 9.201 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.369 9.740 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.905 10.315 3.214 1.00 0.00 H new ATOM 683 N THR A 63 -2.696 8.539 2.614 1.00 0.00 N ATOM 684 CA THR A 63 -1.635 8.173 1.646 1.00 0.00 C ATOM 685 C THR A 63 -0.829 6.944 2.110 1.00 0.00 C ATOM 686 O THR A 63 -0.509 6.072 1.304 1.00 0.00 O ATOM 687 CB THR A 63 -0.785 9.394 1.268 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.012 9.122 0.116 1.00 0.00 O ATOM 689 CG2 THR A 63 0.148 9.930 2.347 1.00 0.00 C ATOM 0 H THR A 63 -2.555 9.452 3.046 1.00 0.00 H new ATOM 0 HA THR A 63 -2.108 7.852 0.718 1.00 0.00 H new ATOM 0 HB THR A 63 -1.527 10.174 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.523 9.911 -0.113 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.694 10.791 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.436 10.231 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.855 9.152 2.636 1.00 0.00 H new ATOM 697 N PHE A 64 -0.555 6.822 3.414 1.00 0.00 N ATOM 698 CA PHE A 64 0.130 5.683 4.034 1.00 0.00 C ATOM 699 C PHE A 64 -0.729 4.404 3.897 1.00 0.00 C ATOM 700 O PHE A 64 -0.229 3.372 3.443 1.00 0.00 O ATOM 701 CB PHE A 64 0.401 6.009 5.511 1.00 0.00 C ATOM 702 CG PHE A 64 1.213 4.942 6.212 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.562 3.827 6.772 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.618 5.030 6.254 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.316 2.770 7.305 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.367 3.956 6.763 1.00 0.00 C ATOM 707 CZ PHE A 64 2.717 2.817 7.254 1.00 0.00 C ATOM 0 H PHE A 64 -0.814 7.540 4.091 1.00 0.00 H new ATOM 0 HA PHE A 64 1.079 5.501 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.928 6.961 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.549 6.134 6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.517 3.785 6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.117 5.919 5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.819 1.923 7.753 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.446 4.009 6.776 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.296 1.972 7.595 1.00 0.00 H new ATOM 717 N ALA A 65 -2.026 4.471 4.233 1.00 0.00 N ATOM 718 CA ALA A 65 -2.976 3.371 4.054 1.00 0.00 C ATOM 719 C ALA A 65 -3.062 2.905 2.590 1.00 0.00 C ATOM 720 O ALA A 65 -3.067 1.702 2.321 1.00 0.00 O ATOM 721 CB ALA A 65 -4.353 3.791 4.572 1.00 0.00 C ATOM 0 H ALA A 65 -2.447 5.305 4.643 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.614 2.520 4.631 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.058 2.971 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.283 4.040 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.700 4.662 4.017 1.00 0.00 H new ATOM 727 N ARG A 66 -3.096 3.844 1.635 1.00 0.00 N ATOM 728 CA ARG A 66 -3.150 3.544 0.196 1.00 0.00 C ATOM 729 C ARG A 66 -1.908 2.790 -0.290 1.00 0.00 C ATOM 730 O ARG A 66 -2.029 1.834 -1.055 1.00 0.00 O ATOM 731 CB ARG A 66 -3.362 4.856 -0.583 1.00 0.00 C ATOM 732 CG ARG A 66 -3.901 4.637 -2.004 1.00 0.00 C ATOM 733 CD ARG A 66 -5.368 4.178 -1.978 1.00 0.00 C ATOM 734 NE ARG A 66 -5.928 4.050 -3.336 1.00 0.00 N ATOM 735 CZ ARG A 66 -5.825 3.019 -4.156 1.00 0.00 C ATOM 736 NH1 ARG A 66 -5.117 1.963 -3.862 1.00 0.00 N ATOM 737 NH2 ARG A 66 -6.440 3.030 -5.304 1.00 0.00 N ATOM 0 H ARG A 66 -3.087 4.843 1.841 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.991 2.876 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.057 5.490 -0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.416 5.394 -0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.817 5.562 -2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.293 3.891 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.439 3.219 -1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.962 4.891 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.456 4.851 -3.683 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.619 1.914 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.062 1.187 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.004 3.836 -5.573 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.358 2.232 -5.934 1.00 0.00 H new ATOM 751 N GLU A 67 -0.728 3.195 0.178 1.00 0.00 N ATOM 752 CA GLU A 67 0.548 2.548 -0.132 1.00 0.00 C ATOM 753 C GLU A 67 0.661 1.157 0.504 1.00 0.00 C ATOM 754 O GLU A 67 0.883 0.182 -0.216 1.00 0.00 O ATOM 755 CB GLU A 67 1.706 3.444 0.324 1.00 0.00 C ATOM 756 CG GLU A 67 2.011 4.610 -0.628 1.00 0.00 C ATOM 757 CD GLU A 67 2.444 4.153 -2.039 1.00 0.00 C ATOM 758 OE1 GLU A 67 3.222 3.171 -2.165 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.016 4.789 -3.037 1.00 0.00 O ATOM 0 H GLU A 67 -0.630 4.000 0.797 1.00 0.00 H new ATOM 0 HA GLU A 67 0.598 2.409 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.473 3.846 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.603 2.833 0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.126 5.240 -0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.800 5.226 -0.196 1.00 0.00 H new ATOM 766 N ARG A 68 0.480 1.029 1.830 1.00 0.00 N ATOM 767 CA ARG A 68 0.591 -0.267 2.534 1.00 0.00 C ATOM 768 C ARG A 68 -0.354 -1.315 1.948 1.00 0.00 C ATOM 769 O ARG A 68 0.044 -2.461 1.751 1.00 0.00 O ATOM 770 CB ARG A 68 0.420 -0.100 4.061 1.00 0.00 C ATOM 771 CG ARG A 68 -1.030 0.062 4.523 1.00 0.00 C ATOM 772 CD ARG A 68 -1.135 0.284 6.029 1.00 0.00 C ATOM 773 NE ARG A 68 -2.535 0.159 6.472 1.00 0.00 N ATOM 774 CZ ARG A 68 -2.978 0.043 7.711 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.173 0.055 8.737 1.00 0.00 N ATOM 776 NH2 ARG A 68 -4.250 -0.097 7.948 1.00 0.00 N ATOM 0 H ARG A 68 0.254 1.813 2.443 1.00 0.00 H new ATOM 0 HA ARG A 68 1.602 -0.642 2.373 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.852 -0.968 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.991 0.770 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.484 0.905 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.598 -0.827 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.515 -0.443 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.753 1.272 6.284 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.243 0.162 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.168 0.156 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.548 -0.037 9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.914 -0.118 7.174 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.583 -0.186 8.908 1.00 0.00 H new ATOM 790 N ALA A 69 -1.580 -0.905 1.616 1.00 0.00 N ATOM 791 CA ALA A 69 -2.602 -1.764 1.013 1.00 0.00 C ATOM 792 C ALA A 69 -2.140 -2.303 -0.352 1.00 0.00 C ATOM 793 O ALA A 69 -2.313 -3.488 -0.623 1.00 0.00 O ATOM 794 CB ALA A 69 -3.916 -1.000 0.944 1.00 0.00 C ATOM 0 H ALA A 69 -1.897 0.053 1.762 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.762 -2.645 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.682 -1.633 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.224 -0.714 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.785 -0.104 0.337 1.00 0.00 H new ATOM 800 N ALA A 70 -1.526 -1.467 -1.198 1.00 0.00 N ATOM 801 CA ALA A 70 -0.997 -1.895 -2.495 1.00 0.00 C ATOM 802 C ALA A 70 0.122 -2.957 -2.331 1.00 0.00 C ATOM 803 O ALA A 70 0.122 -3.945 -3.065 1.00 0.00 O ATOM 804 CB ALA A 70 -0.486 -0.674 -3.267 1.00 0.00 C ATOM 0 H ALA A 70 -1.383 -0.476 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.802 -2.364 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.092 -0.992 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.306 0.027 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.304 -0.187 -2.696 1.00 0.00 H new ATOM 810 N VAL A 71 1.041 -2.803 -1.363 1.00 0.00 N ATOM 811 CA VAL A 71 2.074 -3.822 -1.074 1.00 0.00 C ATOM 812 C VAL A 71 1.447 -5.127 -0.571 1.00 0.00 C ATOM 813 O VAL A 71 1.819 -6.215 -1.002 1.00 0.00 O ATOM 814 CB VAL A 71 3.113 -3.352 -0.036 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.320 -4.297 -0.038 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.604 -1.924 -0.291 1.00 0.00 C ATOM 0 H VAL A 71 1.092 -1.980 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 71 2.584 -3.989 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 71 2.613 -3.365 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.049 -3.958 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.993 -5.306 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.778 -4.300 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.333 -1.648 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.069 -1.870 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.759 -1.236 -0.251 1.00 0.00 H new ATOM 826 N GLU A 72 0.484 -5.027 0.343 1.00 0.00 N ATOM 827 CA GLU A 72 -0.211 -6.180 0.920 1.00 0.00 C ATOM 828 C GLU A 72 -1.016 -6.957 -0.143 1.00 0.00 C ATOM 829 O GLU A 72 -0.980 -8.187 -0.170 1.00 0.00 O ATOM 830 CB GLU A 72 -1.078 -5.681 2.090 1.00 0.00 C ATOM 831 CG GLU A 72 -1.159 -6.653 3.275 1.00 0.00 C ATOM 832 CD GLU A 72 -2.271 -7.714 3.143 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.451 -7.344 2.926 1.00 0.00 O ATOM 834 OE2 GLU A 72 -1.981 -8.919 3.337 1.00 0.00 O ATOM 0 H GLU A 72 0.159 -4.132 0.710 1.00 0.00 H new ATOM 0 HA GLU A 72 0.512 -6.900 1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.680 -4.729 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.086 -5.488 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.200 -7.159 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.323 -6.082 4.189 1.00 0.00 H new ATOM 841 N GLU A 73 -1.677 -6.256 -1.073 1.00 0.00 N ATOM 842 CA GLU A 73 -2.420 -6.848 -2.198 1.00 0.00 C ATOM 843 C GLU A 73 -1.504 -7.393 -3.316 1.00 0.00 C ATOM 844 O GLU A 73 -1.880 -8.329 -4.025 1.00 0.00 O ATOM 845 CB GLU A 73 -3.400 -5.810 -2.769 1.00 0.00 C ATOM 846 CG GLU A 73 -4.649 -6.434 -3.414 1.00 0.00 C ATOM 847 CD GLU A 73 -5.580 -7.113 -2.382 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.033 -6.442 -1.419 1.00 0.00 O ATOM 849 OE2 GLU A 73 -5.897 -8.317 -2.551 1.00 0.00 O ATOM 0 H GLU A 73 -1.712 -5.237 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.965 -7.706 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.711 -5.138 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.882 -5.203 -3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.204 -5.660 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.340 -7.169 -4.157 1.00 0.00 H new ATOM 856 N LEU A 74 -0.286 -6.855 -3.471 1.00 0.00 N ATOM 857 CA LEU A 74 0.710 -7.345 -4.432 1.00 0.00 C ATOM 858 C LEU A 74 1.099 -8.810 -4.131 1.00 0.00 C ATOM 859 O LEU A 74 1.299 -9.588 -5.063 1.00 0.00 O ATOM 860 CB LEU A 74 1.896 -6.350 -4.436 1.00 0.00 C ATOM 861 CG LEU A 74 3.179 -6.745 -5.186 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.988 -7.040 -6.670 1.00 0.00 C ATOM 863 CD2 LEU A 74 4.158 -5.572 -5.107 1.00 0.00 C ATOM 0 H LEU A 74 0.038 -6.057 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 74 0.305 -7.379 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.540 -5.411 -4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.166 -6.151 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 74 3.531 -7.659 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.946 -7.309 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.288 -7.867 -6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.593 -6.155 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.077 -5.829 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.710 -4.692 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.385 -5.358 -4.063 1.00 0.00 H new ATOM 875 N LEU A 75 1.106 -9.224 -2.856 1.00 0.00 N ATOM 876 CA LEU A 75 1.347 -10.615 -2.433 1.00 0.00 C ATOM 877 C LEU A 75 0.287 -11.600 -2.966 1.00 0.00 C ATOM 878 O LEU A 75 0.617 -12.744 -3.278 1.00 0.00 O ATOM 879 CB LEU A 75 1.388 -10.695 -0.895 1.00 0.00 C ATOM 880 CG LEU A 75 2.458 -9.822 -0.215 1.00 0.00 C ATOM 881 CD1 LEU A 75 2.207 -9.763 1.291 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.871 -10.371 -0.408 1.00 0.00 C ATOM 0 H LEU A 75 0.941 -8.591 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 75 2.306 -10.910 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.410 -10.409 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.554 -11.733 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 75 2.386 -8.838 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.969 -9.143 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.223 -9.334 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.250 -10.770 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.587 -9.718 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.934 -11.372 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.102 -10.416 -1.472 1.00 0.00 H new ATOM 894 N GLU A 76 -0.991 -11.181 -3.094 1.00 0.00 N ATOM 895 CA GLU A 76 -2.048 -11.999 -3.654 1.00 0.00 C ATOM 896 C GLU A 76 -1.888 -12.253 -5.156 1.00 0.00 C ATOM 897 O GLU A 76 -2.240 -13.339 -5.639 1.00 0.00 O ATOM 898 CB GLU A 76 -3.440 -11.323 -3.348 1.00 0.00 C ATOM 899 CG GLU A 76 -4.092 -11.938 -2.112 1.00 0.00 C ATOM 900 CD GLU A 76 -3.256 -11.815 -0.824 1.00 0.00 C ATOM 901 OE1 GLU A 76 -3.428 -10.816 -0.082 1.00 0.00 O ATOM 902 OE2 GLU A 76 -2.467 -12.750 -0.527 1.00 0.00 O ATOM 0 H GLU A 76 -1.303 -10.254 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.990 -12.979 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.302 -10.253 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.101 -11.440 -4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.058 -11.461 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.286 -12.993 -2.305 1.00 0.00 H new ATOM 909 N ARG A 77 -1.341 -11.289 -5.914 1.00 0.00 N ATOM 910 CA ARG A 77 -1.065 -11.401 -7.344 1.00 0.00 C ATOM 911 C ARG A 77 0.243 -12.078 -7.612 1.00 0.00 C ATOM 912 O ARG A 77 0.408 -12.730 -8.648 1.00 0.00 O ATOM 913 CB ARG A 77 -1.172 -9.962 -7.947 1.00 0.00 C ATOM 914 CG ARG A 77 -0.508 -9.804 -9.318 1.00 0.00 C ATOM 915 CD ARG A 77 -1.153 -10.650 -10.435 1.00 0.00 C ATOM 916 NE ARG A 77 -0.137 -11.279 -11.306 1.00 0.00 N ATOM 917 CZ ARG A 77 -0.339 -12.210 -12.223 1.00 0.00 C ATOM 918 NH1 ARG A 77 -1.536 -12.592 -12.574 1.00 0.00 N ATOM 919 NH2 ARG A 77 0.669 -12.787 -12.815 1.00 0.00 N ATOM 0 H ARG A 77 -1.072 -10.383 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.794 -12.046 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.225 -9.694 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.718 -9.255 -7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.543 -8.754 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.544 -10.076 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.778 -11.424 -9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.807 -10.019 -11.037 1.00 0.00 H new ATOM 0 HE ARG A 77 0.824 -10.960 -11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.355 -12.169 -12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.653 -13.313 -13.286 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.623 -12.521 -12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.503 -13.504 -13.521 1.00 0.00 H new ATOM 933 N ALA A 78 1.243 -11.955 -6.709 1.00 0.00 N ATOM 934 CA ALA A 78 2.622 -12.437 -6.865 1.00 0.00 C ATOM 935 C ALA A 78 2.735 -13.967 -7.068 1.00 0.00 C ATOM 936 O ALA A 78 2.887 -14.741 -6.121 1.00 0.00 O ATOM 937 CB ALA A 78 3.473 -11.935 -5.687 1.00 0.00 C ATOM 0 H ALA A 78 1.096 -11.494 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 78 3.013 -12.019 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.497 -12.291 -5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.467 -10.845 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.059 -12.312 -4.752 1.00 0.00 H new ATOM 943 N GLU A 79 2.661 -14.401 -8.331 1.00 0.00 N ATOM 944 CA GLU A 79 2.702 -15.810 -8.754 1.00 0.00 C ATOM 945 C GLU A 79 4.116 -16.417 -8.661 1.00 0.00 C ATOM 946 O GLU A 79 4.261 -17.626 -8.473 1.00 0.00 O ATOM 947 CB GLU A 79 2.160 -15.897 -10.195 1.00 0.00 C ATOM 948 CG GLU A 79 1.409 -17.197 -10.525 1.00 0.00 C ATOM 949 CD GLU A 79 2.313 -18.427 -10.767 1.00 0.00 C ATOM 950 OE1 GLU A 79 3.228 -18.362 -11.626 1.00 0.00 O ATOM 951 OE2 GLU A 79 2.058 -19.495 -10.155 1.00 0.00 O ATOM 0 H GLU A 79 2.567 -13.759 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 79 2.081 -16.396 -8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.491 -15.054 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.994 -15.790 -10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.725 -17.422 -9.707 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.799 -17.032 -11.413 1.00 0.00 H new ATOM 958 N SER A 80 5.157 -15.581 -8.750 1.00 0.00 N ATOM 959 CA SER A 80 6.571 -15.962 -8.617 1.00 0.00 C ATOM 960 C SER A 80 7.387 -14.924 -7.833 1.00 0.00 C ATOM 961 O SER A 80 6.896 -13.842 -7.490 1.00 0.00 O ATOM 962 CB SER A 80 7.176 -16.201 -10.008 1.00 0.00 C ATOM 963 OG SER A 80 7.318 -14.970 -10.702 1.00 0.00 O ATOM 0 H SER A 80 5.035 -14.583 -8.923 1.00 0.00 H new ATOM 0 HA SER A 80 6.614 -16.886 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.147 -16.686 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.538 -16.876 -10.578 1.00 0.00 H new ATOM 0 HG SER A 80 7.706 -15.136 -11.586 1.00 0.00 H new ATOM 969 N VAL A 81 8.661 -15.241 -7.567 1.00 0.00 N ATOM 970 CA VAL A 81 9.611 -14.346 -6.879 1.00 0.00 C ATOM 971 C VAL A 81 9.808 -13.026 -7.640 1.00 0.00 C ATOM 972 O VAL A 81 10.058 -12.000 -7.019 1.00 0.00 O ATOM 973 CB VAL A 81 10.968 -15.043 -6.626 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.962 -14.166 -5.847 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.786 -16.314 -5.786 1.00 0.00 C ATOM 0 H VAL A 81 9.070 -16.139 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 81 9.172 -14.106 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 81 11.359 -15.258 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.894 -14.713 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.160 -13.253 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.538 -13.909 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.756 -16.784 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.342 -16.054 -4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.130 -17.007 -6.313 1.00 0.00 H new ATOM 985 N GLU A 82 9.617 -12.983 -8.981 1.00 0.00 N ATOM 986 CA GLU A 82 9.789 -11.772 -9.765 1.00 0.00 C ATOM 987 C GLU A 82 8.914 -10.600 -9.298 1.00 0.00 C ATOM 988 O GLU A 82 9.378 -9.450 -9.254 1.00 0.00 O ATOM 989 CB GLU A 82 9.471 -12.062 -11.287 1.00 0.00 C ATOM 990 CG GLU A 82 10.410 -13.115 -11.874 1.00 0.00 C ATOM 991 CD GLU A 82 10.251 -13.186 -13.410 1.00 0.00 C ATOM 992 OE1 GLU A 82 9.240 -13.746 -13.905 1.00 0.00 O ATOM 993 OE2 GLU A 82 11.145 -12.688 -14.140 1.00 0.00 O ATOM 0 H GLU A 82 9.340 -13.795 -9.533 1.00 0.00 H new ATOM 0 HA GLU A 82 10.829 -11.476 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.439 -12.401 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.559 -11.138 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.442 -12.873 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.194 -14.089 -11.435 1.00 0.00 H new ATOM 1000 N ARG A 83 7.671 -10.872 -8.874 1.00 0.00 N ATOM 1001 CA ARG A 83 6.758 -9.909 -8.244 1.00 0.00 C ATOM 1002 C ARG A 83 7.023 -9.655 -6.804 1.00 0.00 C ATOM 1003 O ARG A 83 6.793 -8.555 -6.273 1.00 0.00 O ATOM 1004 CB ARG A 83 5.295 -10.399 -8.439 1.00 0.00 C ATOM 1005 CG ARG A 83 4.809 -10.508 -9.880 1.00 0.00 C ATOM 1006 CD ARG A 83 4.511 -9.149 -10.542 1.00 0.00 C ATOM 1007 NE ARG A 83 5.726 -8.426 -10.972 1.00 0.00 N ATOM 1008 CZ ARG A 83 6.457 -8.622 -12.053 1.00 0.00 C ATOM 1009 NH1 ARG A 83 6.216 -9.571 -12.915 1.00 0.00 N ATOM 1010 NH2 ARG A 83 7.458 -7.835 -12.282 1.00 0.00 N ATOM 0 H ARG A 83 7.260 -11.801 -8.964 1.00 0.00 H new ATOM 0 HA ARG A 83 6.926 -8.953 -8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.196 -11.377 -7.969 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.632 -9.719 -7.904 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.563 -11.031 -10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.906 -11.118 -9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.867 -9.308 -11.407 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.955 -8.526 -9.841 1.00 0.00 H new ATOM 0 HE ARG A 83 6.040 -7.679 -10.353 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.431 -10.205 -12.769 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.813 -9.679 -13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.671 -7.078 -11.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.034 -7.971 -13.113 1.00 0.00 H new ATOM 1024 N LEU A 84 7.557 -10.671 -6.084 1.00 0.00 N ATOM 1025 CA LEU A 84 7.981 -10.597 -4.686 1.00 0.00 C ATOM 1026 C LEU A 84 9.142 -9.597 -4.498 1.00 0.00 C ATOM 1027 O LEU A 84 9.185 -8.890 -3.493 1.00 0.00 O ATOM 1028 CB LEU A 84 8.338 -12.008 -4.219 1.00 0.00 C ATOM 1029 CG LEU A 84 8.332 -12.160 -2.691 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.906 -12.299 -2.151 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.123 -13.405 -2.278 1.00 0.00 C ATOM 0 H LEU A 84 7.705 -11.596 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 84 7.168 -10.216 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.631 -12.716 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.325 -12.271 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 84 8.790 -11.263 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.936 -12.405 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.330 -11.412 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.436 -13.180 -2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.110 -13.500 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.669 -14.289 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.153 -13.312 -2.622 1.00 0.00 H new ATOM 1043 N GLU A 85 10.071 -9.507 -5.459 1.00 0.00 N ATOM 1044 CA GLU A 85 11.185 -8.543 -5.408 1.00 0.00 C ATOM 1045 C GLU A 85 10.662 -7.089 -5.399 1.00 0.00 C ATOM 1046 O GLU A 85 11.154 -6.258 -4.633 1.00 0.00 O ATOM 1047 CB GLU A 85 12.151 -8.707 -6.595 1.00 0.00 C ATOM 1048 CG GLU A 85 12.867 -10.064 -6.627 1.00 0.00 C ATOM 1049 CD GLU A 85 14.177 -9.993 -7.443 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.134 -9.633 -8.653 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.261 -10.305 -6.878 1.00 0.00 O ATOM 0 H GLU A 85 10.074 -10.096 -6.291 1.00 0.00 H new ATOM 0 HA GLU A 85 11.724 -8.751 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.596 -8.578 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.897 -7.914 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.088 -10.384 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.207 -10.815 -7.061 1.00 0.00 H new ATOM 1058 N GLU A 86 9.646 -6.783 -6.214 1.00 0.00 N ATOM 1059 CA GLU A 86 8.999 -5.464 -6.255 1.00 0.00 C ATOM 1060 C GLU A 86 8.302 -5.103 -4.934 1.00 0.00 C ATOM 1061 O GLU A 86 8.388 -3.951 -4.504 1.00 0.00 O ATOM 1062 CB GLU A 86 8.011 -5.392 -7.434 1.00 0.00 C ATOM 1063 CG GLU A 86 8.746 -5.047 -8.742 1.00 0.00 C ATOM 1064 CD GLU A 86 7.779 -5.134 -9.945 1.00 0.00 C ATOM 1065 OE1 GLU A 86 7.596 -6.267 -10.445 1.00 0.00 O ATOM 1066 OE2 GLU A 86 7.193 -4.090 -10.370 1.00 0.00 O ATOM 0 H GLU A 86 9.244 -7.451 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 86 9.786 -4.724 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.496 -6.347 -7.542 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.249 -4.640 -7.230 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.165 -4.043 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.581 -5.732 -8.889 1.00 0.00 H new ATOM 1073 N ALA A 87 7.665 -6.059 -4.246 1.00 0.00 N ATOM 1074 CA ALA A 87 7.001 -5.801 -2.974 1.00 0.00 C ATOM 1075 C ALA A 87 7.954 -5.227 -1.898 1.00 0.00 C ATOM 1076 O ALA A 87 7.594 -4.281 -1.188 1.00 0.00 O ATOM 1077 CB ALA A 87 6.305 -7.100 -2.499 1.00 0.00 C ATOM 0 H ALA A 87 7.599 -7.028 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 87 6.252 -5.024 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.805 -6.918 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.570 -7.411 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.049 -7.886 -2.373 1.00 0.00 H new ATOM 1083 N ALA A 88 9.196 -5.728 -1.816 1.00 0.00 N ATOM 1084 CA ALA A 88 10.228 -5.184 -0.925 1.00 0.00 C ATOM 1085 C ALA A 88 10.708 -3.779 -1.298 1.00 0.00 C ATOM 1086 O ALA A 88 11.187 -3.031 -0.442 1.00 0.00 O ATOM 1087 CB ALA A 88 11.414 -6.165 -0.865 1.00 0.00 C ATOM 0 H ALA A 88 9.512 -6.525 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 88 9.768 -5.075 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.184 -5.766 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 88 11.072 -7.127 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.827 -6.298 -1.865 1.00 0.00 H new ATOM 1093 N SER A 89 10.558 -3.367 -2.561 1.00 0.00 N ATOM 1094 CA SER A 89 10.871 -2.007 -3.038 1.00 0.00 C ATOM 1095 C SER A 89 9.736 -1.035 -2.729 1.00 0.00 C ATOM 1096 O SER A 89 9.988 0.090 -2.294 1.00 0.00 O ATOM 1097 CB SER A 89 11.144 -2.007 -4.551 1.00 0.00 C ATOM 1098 OG SER A 89 12.230 -2.860 -4.885 1.00 0.00 O ATOM 0 H SER A 89 10.209 -3.979 -3.299 1.00 0.00 H new ATOM 0 HA SER A 89 11.767 -1.679 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.249 -2.330 -5.083 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.362 -0.992 -4.882 1.00 0.00 H new ATOM 0 HG SER A 89 12.377 -2.839 -5.854 1.00 0.00 H new ATOM 1104 N ARG A 90 8.478 -1.473 -2.883 1.00 0.00 N ATOM 1105 CA ARG A 90 7.300 -0.683 -2.472 1.00 0.00 C ATOM 1106 C ARG A 90 7.312 -0.318 -0.982 1.00 0.00 C ATOM 1107 O ARG A 90 7.118 0.849 -0.638 1.00 0.00 O ATOM 1108 CB ARG A 90 5.993 -1.402 -2.843 1.00 0.00 C ATOM 1109 CG ARG A 90 5.769 -1.668 -4.338 1.00 0.00 C ATOM 1110 CD ARG A 90 5.885 -0.387 -5.169 1.00 0.00 C ATOM 1111 NE ARG A 90 5.343 -0.570 -6.528 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.127 0.379 -7.421 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.440 1.625 -7.193 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.584 0.095 -8.571 1.00 0.00 N ATOM 0 H ARG A 90 8.245 -2.378 -3.293 1.00 0.00 H new ATOM 0 HA ARG A 90 7.355 0.254 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.965 -2.356 -2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.158 -0.809 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.499 -2.397 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.783 -2.108 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.351 0.421 -4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.931 -0.087 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 90 5.112 -1.524 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.865 1.890 -6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.260 2.334 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.322 -0.867 -8.788 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.421 0.834 -9.254 1.00 0.00 H new ATOM 1128 N LEU A 91 7.586 -1.283 -0.095 1.00 0.00 N ATOM 1129 CA LEU A 91 7.657 -1.033 1.355 1.00 0.00 C ATOM 1130 C LEU A 91 8.828 -0.106 1.750 1.00 0.00 C ATOM 1131 O LEU A 91 8.695 0.692 2.676 1.00 0.00 O ATOM 1132 CB LEU A 91 7.616 -2.375 2.119 1.00 0.00 C ATOM 1133 CG LEU A 91 8.955 -3.108 2.326 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.694 -2.641 3.586 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.714 -4.613 2.459 1.00 0.00 C ATOM 0 H LEU A 91 7.764 -2.253 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 91 6.776 -0.467 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.176 -2.192 3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.942 -3.046 1.587 1.00 0.00 H new ATOM 0 HG LEU A 91 9.568 -2.879 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.631 -3.190 3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.905 -1.574 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.072 -2.826 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.666 -5.123 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.066 -4.803 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.238 -4.987 1.553 1.00 0.00 H new ATOM 1147 N GLN A 92 9.951 -0.147 1.023 1.00 0.00 N ATOM 1148 CA GLN A 92 11.086 0.766 1.225 1.00 0.00 C ATOM 1149 C GLN A 92 10.750 2.238 0.930 1.00 0.00 C ATOM 1150 O GLN A 92 11.250 3.142 1.602 1.00 0.00 O ATOM 1151 CB GLN A 92 12.285 0.278 0.379 1.00 0.00 C ATOM 1152 CG GLN A 92 13.163 -0.727 1.141 1.00 0.00 C ATOM 1153 CD GLN A 92 14.080 -0.039 2.154 1.00 0.00 C ATOM 1154 OE1 GLN A 92 13.791 0.056 3.341 1.00 0.00 O ATOM 1155 NE2 GLN A 92 15.219 0.475 1.729 1.00 0.00 N ATOM 0 H GLN A 92 10.100 -0.820 0.271 1.00 0.00 H new ATOM 0 HA GLN A 92 11.346 0.741 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.917 -0.185 -0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.890 1.134 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.526 -1.445 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.767 -1.291 0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.474 0.404 0.744 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.844 0.943 2.386 1.00 0.00 H new ATOM 1164 N GLY A 93 9.845 2.480 -0.019 1.00 0.00 N ATOM 1165 CA GLY A 93 9.322 3.810 -0.348 1.00 0.00 C ATOM 1166 C GLY A 93 8.325 4.364 0.672 1.00 0.00 C ATOM 1167 O GLY A 93 8.170 5.582 0.772 1.00 0.00 O ATOM 0 H GLY A 93 9.444 1.740 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.157 4.505 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.839 3.767 -1.324 1.00 0.00 H new ATOM 1171 N LEU A 94 7.687 3.508 1.482 1.00 0.00 N ATOM 1172 CA LEU A 94 6.820 3.955 2.579 1.00 0.00 C ATOM 1173 C LEU A 94 7.599 4.675 3.676 1.00 0.00 C ATOM 1174 O LEU A 94 7.098 5.638 4.244 1.00 0.00 O ATOM 1175 CB LEU A 94 6.017 2.775 3.167 1.00 0.00 C ATOM 1176 CG LEU A 94 4.555 2.701 2.706 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.882 1.503 3.378 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.760 3.945 3.106 1.00 0.00 C ATOM 0 H LEU A 94 7.757 2.494 1.396 1.00 0.00 H new ATOM 0 HA LEU A 94 6.120 4.674 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.516 1.844 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.038 2.845 4.255 1.00 0.00 H new ATOM 0 HG LEU A 94 4.563 2.616 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.842 1.442 3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.403 0.588 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.920 1.624 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.732 3.847 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.768 4.049 4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.213 4.827 2.654 1.00 0.00 H new ATOM 1190 N GLN A 95 8.835 4.262 3.969 1.00 0.00 N ATOM 1191 CA GLN A 95 9.653 4.888 5.020 1.00 0.00 C ATOM 1192 C GLN A 95 9.959 6.358 4.682 1.00 0.00 C ATOM 1193 O GLN A 95 9.894 7.225 5.555 1.00 0.00 O ATOM 1194 CB GLN A 95 10.940 4.071 5.247 1.00 0.00 C ATOM 1195 CG GLN A 95 11.402 4.079 6.715 1.00 0.00 C ATOM 1196 CD GLN A 95 11.937 5.431 7.193 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.864 6.001 6.631 1.00 0.00 O ATOM 1198 NE2 GLN A 95 11.396 5.986 8.257 1.00 0.00 N ATOM 0 H GLN A 95 9.298 3.490 3.490 1.00 0.00 H new ATOM 0 HA GLN A 95 9.087 4.888 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.772 3.042 4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.735 4.473 4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.566 3.786 7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.179 3.326 6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.623 5.524 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.750 6.878 8.602 1.00 0.00 H new ATOM 1207 N LYS A 96 10.213 6.652 3.395 1.00 0.00 N ATOM 1208 CA LYS A 96 10.455 7.997 2.876 1.00 0.00 C ATOM 1209 C LYS A 96 9.303 8.978 3.116 1.00 0.00 C ATOM 1210 O LYS A 96 9.561 10.161 3.345 1.00 0.00 O ATOM 1211 CB LYS A 96 10.826 7.912 1.366 1.00 0.00 C ATOM 1212 CG LYS A 96 12.303 7.514 1.187 1.00 0.00 C ATOM 1213 CD LYS A 96 12.913 8.048 -0.117 1.00 0.00 C ATOM 1214 CE LYS A 96 13.031 9.582 -0.098 1.00 0.00 C ATOM 1215 NZ LYS A 96 13.851 10.092 -1.233 1.00 0.00 N ATOM 0 H LYS A 96 10.255 5.935 2.671 1.00 0.00 H new ATOM 0 HA LYS A 96 11.292 8.409 3.440 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.186 7.183 0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.643 8.874 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.880 7.889 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.385 6.427 1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.899 7.608 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.296 7.740 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.035 10.023 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.478 9.900 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.906 11.129 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.809 9.692 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.411 9.811 -2.133 1.00 0.00 H new ATOM 1229 N LEU A 97 8.051 8.510 3.122 1.00 0.00 N ATOM 1230 CA LEU A 97 6.866 9.314 3.416 1.00 0.00 C ATOM 1231 C LEU A 97 6.932 9.851 4.841 1.00 0.00 C ATOM 1232 O LEU A 97 6.805 11.057 5.065 1.00 0.00 O ATOM 1233 CB LEU A 97 5.628 8.439 3.135 1.00 0.00 C ATOM 1234 CG LEU A 97 4.303 8.964 3.687 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.878 10.321 3.116 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.209 7.933 3.400 1.00 0.00 C ATOM 0 H LEU A 97 7.831 7.535 2.917 1.00 0.00 H new ATOM 0 HA LEU A 97 6.807 10.197 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.528 8.319 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.806 7.447 3.551 1.00 0.00 H new ATOM 0 HG LEU A 97 4.448 9.117 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.929 10.621 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.638 11.067 3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.764 10.241 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.257 8.295 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.127 7.780 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.463 6.989 3.883 1.00 0.00 H new ATOM 1248 N ILE A 98 7.177 8.976 5.831 1.00 0.00 N ATOM 1249 CA ILE A 98 7.342 9.410 7.230 1.00 0.00 C ATOM 1250 C ILE A 98 8.611 10.238 7.403 1.00 0.00 C ATOM 1251 O ILE A 98 8.557 11.277 8.045 1.00 0.00 O ATOM 1252 CB ILE A 98 7.314 8.252 8.254 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.033 7.405 8.095 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.405 8.840 9.672 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.306 6.136 7.284 1.00 0.00 C ATOM 0 H ILE A 98 7.265 7.970 5.691 1.00 0.00 H new ATOM 0 HA ILE A 98 6.472 10.030 7.445 1.00 0.00 H new ATOM 0 HB ILE A 98 8.164 7.593 8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.648 7.135 9.078 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.262 7.996 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.386 8.032 10.403 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.334 9.400 9.775 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.559 9.505 9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.386 5.560 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.668 6.409 6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.060 5.534 7.792 1.00 0.00 H new ATOM 1267 N ASN A 99 9.738 9.827 6.814 1.00 0.00 N ATOM 1268 CA ASN A 99 11.021 10.536 6.924 1.00 0.00 C ATOM 1269 C ASN A 99 10.928 12.017 6.495 1.00 0.00 C ATOM 1270 O ASN A 99 11.640 12.860 7.040 1.00 0.00 O ATOM 1271 CB ASN A 99 12.071 9.758 6.134 1.00 0.00 C ATOM 1272 CG ASN A 99 13.463 10.339 6.316 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.095 10.187 7.351 1.00 0.00 O ATOM 1274 ND2 ASN A 99 13.987 11.018 5.319 1.00 0.00 N ATOM 0 H ASN A 99 9.788 8.985 6.241 1.00 0.00 H new ATOM 0 HA ASN A 99 11.317 10.576 7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.068 8.716 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.809 9.767 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.921 11.418 5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.459 11.145 4.455 1.00 0.00 H new ATOM 1281 N ASP A 100 10.052 12.344 5.538 1.00 0.00 N ATOM 1282 CA ASP A 100 9.816 13.725 5.090 1.00 0.00 C ATOM 1283 C ASP A 100 9.072 14.558 6.172 1.00 0.00 C ATOM 1284 O ASP A 100 9.512 15.655 6.532 1.00 0.00 O ATOM 1285 CB ASP A 100 9.025 13.708 3.772 1.00 0.00 C ATOM 1286 CG ASP A 100 8.912 15.102 3.110 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.884 15.901 3.205 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.872 15.382 2.446 1.00 0.00 O ATOM 0 H ASP A 100 9.482 11.654 5.048 1.00 0.00 H new ATOM 0 HA ASP A 100 10.781 14.205 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.506 13.021 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.024 13.321 3.962 1.00 0.00 H new ATOM 1293 N SER A 101 7.974 14.022 6.724 1.00 0.00 N ATOM 1294 CA SER A 101 7.096 14.679 7.719 1.00 0.00 C ATOM 1295 C SER A 101 7.347 14.204 9.164 1.00 0.00 C ATOM 1296 O SER A 101 6.469 14.296 10.023 1.00 0.00 O ATOM 1297 CB SER A 101 5.616 14.510 7.323 1.00 0.00 C ATOM 1298 OG SER A 101 5.400 15.036 6.005 1.00 0.00 O ATOM 0 H SER A 101 7.656 13.083 6.484 1.00 0.00 H new ATOM 0 HA SER A 101 7.348 15.739 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.341 13.456 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.977 15.027 8.039 1.00 0.00 H new ATOM 0 HG SER A 101 4.458 14.924 5.758 1.00 0.00 H new ATOM 1304 N VAL A 102 8.537 13.681 9.467 1.00 0.00 N ATOM 1305 CA VAL A 102 8.865 13.028 10.748 1.00 0.00 C ATOM 1306 C VAL A 102 8.726 13.958 11.954 1.00 0.00 C ATOM 1307 O VAL A 102 8.137 13.579 12.966 1.00 0.00 O ATOM 1308 CB VAL A 102 10.261 12.376 10.694 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.396 13.378 10.452 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.536 11.587 11.974 1.00 0.00 C ATOM 0 H VAL A 102 9.322 13.697 8.816 1.00 0.00 H new ATOM 0 HA VAL A 102 8.124 12.242 10.892 1.00 0.00 H new ATOM 0 HB VAL A 102 10.243 11.704 9.836 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.349 12.849 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.237 13.886 9.501 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.411 14.113 11.257 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.526 11.134 11.917 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.493 12.258 12.832 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.785 10.805 12.088 1.00 0.00 H new ATOM 1320 N PHE A 103 9.213 15.195 11.835 1.00 0.00 N ATOM 1321 CA PHE A 103 9.102 16.227 12.873 1.00 0.00 C ATOM 1322 C PHE A 103 7.694 16.840 12.952 1.00 0.00 C ATOM 1323 O PHE A 103 7.409 17.628 13.857 1.00 0.00 O ATOM 1324 CB PHE A 103 10.150 17.320 12.611 1.00 0.00 C ATOM 1325 CG PHE A 103 11.556 16.798 12.363 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.179 15.959 13.307 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.228 17.122 11.167 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.467 15.452 13.062 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.518 16.617 10.924 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.139 15.783 11.871 1.00 0.00 C ATOM 0 H PHE A 103 9.705 15.515 11.001 1.00 0.00 H new ATOM 0 HA PHE A 103 9.286 15.752 13.837 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.836 17.907 11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.173 17.996 13.465 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.665 15.704 14.222 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.752 17.759 10.436 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.941 14.808 13.788 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.032 16.870 10.009 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.130 15.397 11.684 1.00 0.00 H new ATOM 1340 N PHE A 104 6.816 16.483 12.009 1.00 0.00 N ATOM 1341 CA PHE A 104 5.424 16.942 11.954 1.00 0.00 C ATOM 1342 C PHE A 104 4.474 15.935 12.622 1.00 0.00 C ATOM 1343 O PHE A 104 3.624 16.325 13.430 1.00 0.00 O ATOM 1344 CB PHE A 104 5.035 17.229 10.494 1.00 0.00 C ATOM 1345 CG PHE A 104 3.546 17.197 10.239 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.757 18.327 10.522 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.947 16.007 9.783 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.365 18.262 10.351 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.558 15.944 9.606 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.775 17.069 9.902 1.00 0.00 C ATOM 0 H PHE A 104 7.059 15.852 11.245 1.00 0.00 H new ATOM 0 HA PHE A 104 5.331 17.869 12.520 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.421 18.208 10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.520 16.497 9.848 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.220 19.239 10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.558 15.142 9.570 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.751 19.125 10.564 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.095 15.037 9.245 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.297 17.017 9.783 1.00 0.00 H new ATOM 1360 N LEU A 105 4.623 14.645 12.312 1.00 0.00 N ATOM 1361 CA LEU A 105 3.861 13.561 12.936 1.00 0.00 C ATOM 1362 C LEU A 105 4.127 13.481 14.446 1.00 0.00 C ATOM 1363 O LEU A 105 5.271 13.586 14.901 1.00 0.00 O ATOM 1364 CB LEU A 105 4.192 12.228 12.243 1.00 0.00 C ATOM 1365 CG LEU A 105 3.726 12.147 10.775 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.126 10.795 10.198 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.216 12.302 10.626 1.00 0.00 C ATOM 0 H LEU A 105 5.287 14.319 11.609 1.00 0.00 H new ATOM 0 HA LEU A 105 2.798 13.770 12.811 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.270 12.070 12.280 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.731 11.415 12.804 1.00 0.00 H new ATOM 0 HG LEU A 105 4.203 12.969 10.242 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.799 10.731 9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.209 10.686 10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.656 9.999 10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.946 12.237 9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.713 11.509 11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.909 13.271 11.020 1.00 0.00 H new ATOM 1379 N ALA A 106 3.059 13.288 15.227 1.00 0.00 N ATOM 1380 CA ALA A 106 3.155 13.081 16.671 1.00 0.00 C ATOM 1381 C ALA A 106 3.952 11.803 16.985 1.00 0.00 C ATOM 1382 O ALA A 106 3.985 10.872 16.175 1.00 0.00 O ATOM 1383 CB ALA A 106 1.736 13.003 17.255 1.00 0.00 C ATOM 0 H ALA A 106 2.103 13.271 14.872 1.00 0.00 H new ATOM 0 HA ALA A 106 3.687 13.916 17.127 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.794 12.849 18.332 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.206 13.933 17.050 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.200 12.172 16.798 1.00 0.00 H new ATOM 1389 N ALA A 107 4.518 11.706 18.192 1.00 0.00 N ATOM 1390 CA ALA A 107 5.233 10.510 18.639 1.00 0.00 C ATOM 1391 C ALA A 107 4.374 9.229 18.572 1.00 0.00 C ATOM 1392 O ALA A 107 4.891 8.144 18.311 1.00 0.00 O ATOM 1393 CB ALA A 107 5.738 10.762 20.076 1.00 0.00 C ATOM 0 H ALA A 107 4.493 12.454 18.885 1.00 0.00 H new ATOM 0 HA ALA A 107 6.069 10.335 17.962 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.275 9.883 20.432 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.407 11.623 20.081 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.889 10.958 20.731 1.00 0.00 H new ATOM 1399 N TYR A 108 3.053 9.358 18.734 1.00 0.00 N ATOM 1400 CA TYR A 108 2.066 8.290 18.563 1.00 0.00 C ATOM 1401 C TYR A 108 2.020 7.793 17.116 1.00 0.00 C ATOM 1402 O TYR A 108 2.307 6.629 16.831 1.00 0.00 O ATOM 1403 CB TYR A 108 0.712 8.832 19.063 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.490 7.947 18.782 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.712 6.771 19.527 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.399 8.317 17.771 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.830 5.956 19.247 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.514 7.507 17.490 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.735 6.320 18.220 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.820 5.550 17.924 1.00 0.00 O ATOM 0 H TYR A 108 2.626 10.246 18.999 1.00 0.00 H new ATOM 0 HA TYR A 108 2.338 7.412 19.149 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.780 8.993 20.139 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.539 9.806 18.606 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.026 6.493 20.313 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.239 9.226 17.210 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.996 5.054 19.817 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.205 7.795 16.711 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.324 5.962 17.191 1.00 0.00 H new ATOM 1420 N ASP A 109 1.693 8.685 16.178 1.00 0.00 N ATOM 1421 CA ASP A 109 1.504 8.378 14.763 1.00 0.00 C ATOM 1422 C ASP A 109 2.796 7.958 14.046 1.00 0.00 C ATOM 1423 O ASP A 109 2.786 7.075 13.185 1.00 0.00 O ATOM 1424 CB ASP A 109 0.900 9.625 14.073 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.361 9.247 13.281 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -1.437 9.076 13.912 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.267 9.104 12.039 1.00 0.00 O ATOM 0 H ASP A 109 1.548 9.672 16.392 1.00 0.00 H new ATOM 0 HA ASP A 109 0.834 7.521 14.698 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.654 10.378 14.822 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.637 10.070 13.404 1.00 0.00 H new ATOM 1432 N LEU A 110 3.927 8.552 14.438 1.00 0.00 N ATOM 1433 CA LEU A 110 5.261 8.209 13.958 1.00 0.00 C ATOM 1434 C LEU A 110 5.575 6.743 14.233 1.00 0.00 C ATOM 1435 O LEU A 110 5.955 5.989 13.331 1.00 0.00 O ATOM 1436 CB LEU A 110 6.259 9.182 14.622 1.00 0.00 C ATOM 1437 CG LEU A 110 7.746 8.863 14.387 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.074 8.763 12.902 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.607 9.969 14.993 1.00 0.00 C ATOM 0 H LEU A 110 3.935 9.310 15.121 1.00 0.00 H new ATOM 0 HA LEU A 110 5.333 8.320 12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.058 10.188 14.255 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.072 9.191 15.696 1.00 0.00 H new ATOM 0 HG LEU A 110 7.954 7.902 14.858 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.133 8.537 12.778 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.478 7.970 12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.846 9.711 12.414 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.660 9.743 14.826 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.361 10.921 14.522 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.415 10.034 16.064 1.00 0.00 H new ATOM 1451 N ARG A 111 5.375 6.307 15.488 1.00 0.00 N ATOM 1452 CA ARG A 111 5.563 4.906 15.930 1.00 0.00 C ATOM 1453 C ARG A 111 4.579 3.946 15.257 1.00 0.00 C ATOM 1454 O ARG A 111 4.942 2.810 14.952 1.00 0.00 O ATOM 1455 CB ARG A 111 5.561 4.806 17.455 1.00 0.00 C ATOM 1456 CG ARG A 111 6.696 5.593 18.139 1.00 0.00 C ATOM 1457 CD ARG A 111 8.087 4.979 17.957 1.00 0.00 C ATOM 1458 NE ARG A 111 9.104 5.793 18.656 1.00 0.00 N ATOM 1459 CZ ARG A 111 10.417 5.684 18.579 1.00 0.00 C ATOM 1460 NH1 ARG A 111 10.994 4.776 17.843 1.00 0.00 N ATOM 1461 NH2 ARG A 111 11.186 6.494 19.249 1.00 0.00 N ATOM 0 H ARG A 111 5.073 6.926 16.241 1.00 0.00 H new ATOM 0 HA ARG A 111 6.549 4.582 15.598 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.604 5.169 17.831 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.638 3.757 17.740 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.706 6.609 17.745 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.481 5.666 19.205 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.096 3.961 18.346 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.328 4.917 16.896 1.00 0.00 H new ATOM 0 HE ARG A 111 8.749 6.526 19.271 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.428 4.121 17.303 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.012 4.720 17.807 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.774 7.218 19.838 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.200 6.404 19.185 1.00 0.00 H new ATOM 1475 N GLN A 112 3.364 4.423 14.992 1.00 0.00 N ATOM 1476 CA GLN A 112 2.302 3.650 14.321 1.00 0.00 C ATOM 1477 C GLN A 112 2.706 3.357 12.846 1.00 0.00 C ATOM 1478 O GLN A 112 2.642 2.203 12.414 1.00 0.00 O ATOM 1479 CB GLN A 112 0.960 4.397 14.365 1.00 0.00 C ATOM 1480 CG GLN A 112 0.306 4.387 15.759 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.858 3.401 15.835 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.707 2.237 16.190 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -2.059 3.820 15.490 1.00 0.00 N ATOM 0 H GLN A 112 3.078 5.371 15.238 1.00 0.00 H new ATOM 0 HA GLN A 112 2.180 2.707 14.853 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.116 5.429 14.051 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.276 3.945 13.647 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.053 4.125 16.509 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.050 5.389 16.000 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -2.196 4.786 15.193 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.851 3.178 15.520 1.00 0.00 H new ATOM 1492 N GLY A 113 3.148 4.367 12.082 1.00 0.00 N ATOM 1493 CA GLY A 113 3.564 4.211 10.681 1.00 0.00 C ATOM 1494 C GLY A 113 4.803 3.328 10.515 1.00 0.00 C ATOM 1495 O GLY A 113 4.800 2.402 9.706 1.00 0.00 O ATOM 0 H GLY A 113 3.227 5.325 12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.741 3.782 10.110 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.767 5.195 10.257 1.00 0.00 H new ATOM 1499 N GLN A 114 5.861 3.571 11.297 1.00 0.00 N ATOM 1500 CA GLN A 114 7.079 2.752 11.240 1.00 0.00 C ATOM 1501 C GLN A 114 6.840 1.268 11.595 1.00 0.00 C ATOM 1502 O GLN A 114 7.446 0.388 10.980 1.00 0.00 O ATOM 1503 CB GLN A 114 8.165 3.366 12.136 1.00 0.00 C ATOM 1504 CG GLN A 114 8.901 4.518 11.429 1.00 0.00 C ATOM 1505 CD GLN A 114 10.100 5.036 12.228 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.765 4.324 12.970 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.453 6.296 12.085 1.00 0.00 N ATOM 0 H GLN A 114 5.899 4.329 11.978 1.00 0.00 H new ATOM 0 HA GLN A 114 7.416 2.756 10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.712 3.734 13.057 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.882 2.595 12.419 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.241 4.179 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.203 5.338 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.916 6.910 11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.264 6.658 12.586 1.00 0.00 H new ATOM 1516 N GLU A 115 5.939 0.964 12.537 1.00 0.00 N ATOM 1517 CA GLU A 115 5.546 -0.416 12.884 1.00 0.00 C ATOM 1518 C GLU A 115 4.862 -1.160 11.731 1.00 0.00 C ATOM 1519 O GLU A 115 5.117 -2.342 11.486 1.00 0.00 O ATOM 1520 CB GLU A 115 4.627 -0.412 14.111 1.00 0.00 C ATOM 1521 CG GLU A 115 5.396 -0.459 15.440 1.00 0.00 C ATOM 1522 CD GLU A 115 5.655 -1.931 15.869 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.763 -2.537 16.532 1.00 0.00 O ATOM 1524 OE2 GLU A 115 6.746 -2.483 15.544 1.00 0.00 O ATOM 0 H GLU A 115 5.455 1.673 13.088 1.00 0.00 H new ATOM 0 HA GLU A 115 6.469 -0.952 13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.006 0.483 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.955 -1.268 14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.345 0.068 15.337 1.00 0.00 H new ATOM 0 HG3 GLU A 115 4.828 0.057 16.214 1.00 0.00 H new ATOM 1531 N ALA A 116 4.002 -0.453 11.002 1.00 0.00 N ATOM 1532 CA ALA A 116 3.260 -0.992 9.876 1.00 0.00 C ATOM 1533 C ALA A 116 4.171 -1.482 8.736 1.00 0.00 C ATOM 1534 O ALA A 116 3.857 -2.515 8.137 1.00 0.00 O ATOM 1535 CB ALA A 116 2.208 0.040 9.429 1.00 0.00 C ATOM 0 H ALA A 116 3.801 0.530 11.185 1.00 0.00 H new ATOM 0 HA ALA A 116 2.737 -1.894 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.646 -0.356 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.526 0.245 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.707 0.963 9.133 1.00 0.00 H new ATOM 1541 N LEU A 117 5.306 -0.824 8.439 1.00 0.00 N ATOM 1542 CA LEU A 117 6.239 -1.323 7.408 1.00 0.00 C ATOM 1543 C LEU A 117 6.743 -2.725 7.763 1.00 0.00 C ATOM 1544 O LEU A 117 6.828 -3.616 6.913 1.00 0.00 O ATOM 1545 CB LEU A 117 7.468 -0.410 7.251 1.00 0.00 C ATOM 1546 CG LEU A 117 7.305 0.807 6.338 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.565 1.952 7.024 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.695 1.305 5.959 1.00 0.00 C ATOM 0 H LEU A 117 5.598 0.043 8.890 1.00 0.00 H new ATOM 0 HA LEU A 117 5.679 -1.341 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.759 -0.057 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.294 -1.012 6.872 1.00 0.00 H new ATOM 0 HG LEU A 117 6.723 0.500 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.475 2.792 6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.571 1.617 7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.120 2.266 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.605 2.174 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.240 1.583 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.235 0.515 5.438 1.00 0.00 H new ATOM 1560 N ALA A 118 7.067 -2.945 9.049 1.00 0.00 N ATOM 1561 CA ALA A 118 7.535 -4.232 9.577 1.00 0.00 C ATOM 1562 C ALA A 118 6.461 -5.325 9.457 1.00 0.00 C ATOM 1563 O ALA A 118 6.767 -6.499 9.223 1.00 0.00 O ATOM 1564 CB ALA A 118 7.916 -4.057 11.054 1.00 0.00 C ATOM 0 H ALA A 118 7.009 -2.217 9.762 1.00 0.00 H new ATOM 0 HA ALA A 118 8.398 -4.546 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.265 -5.009 11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.709 -3.314 11.140 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.045 -3.724 11.618 1.00 0.00 H new ATOM 1570 N ARG A 119 5.188 -4.932 9.584 1.00 0.00 N ATOM 1571 CA ARG A 119 4.039 -5.825 9.432 1.00 0.00 C ATOM 1572 C ARG A 119 3.989 -6.441 8.024 1.00 0.00 C ATOM 1573 O ARG A 119 3.777 -7.645 7.883 1.00 0.00 O ATOM 1574 CB ARG A 119 2.747 -5.063 9.782 1.00 0.00 C ATOM 1575 CG ARG A 119 1.642 -6.010 10.267 1.00 0.00 C ATOM 1576 CD ARG A 119 0.344 -5.249 10.577 1.00 0.00 C ATOM 1577 NE ARG A 119 -0.350 -4.803 9.350 1.00 0.00 N ATOM 1578 CZ ARG A 119 -1.165 -5.515 8.589 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -1.425 -6.768 8.838 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -1.740 -4.980 7.550 1.00 0.00 N ATOM 0 H ARG A 119 4.926 -3.970 9.798 1.00 0.00 H new ATOM 0 HA ARG A 119 4.141 -6.660 10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.958 -4.325 10.555 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.399 -4.516 8.906 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.449 -6.766 9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.979 -6.536 11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -0.321 -5.890 11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 119 0.572 -4.383 11.198 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.182 -3.840 9.058 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -0.995 -7.228 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.058 -7.288 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.564 -4.003 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.367 -5.538 6.970 1.00 0.00 H new ATOM 1594 N LEU A 120 4.239 -5.630 6.981 1.00 0.00 N ATOM 1595 CA LEU A 120 4.300 -6.088 5.594 1.00 0.00 C ATOM 1596 C LEU A 120 5.584 -6.880 5.288 1.00 0.00 C ATOM 1597 O LEU A 120 5.540 -7.855 4.534 1.00 0.00 O ATOM 1598 CB LEU A 120 4.186 -4.885 4.607 1.00 0.00 C ATOM 1599 CG LEU A 120 3.132 -3.821 4.947 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.041 -2.823 3.797 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.729 -4.378 5.211 1.00 0.00 C ATOM 0 H LEU A 120 4.405 -4.629 7.085 1.00 0.00 H new ATOM 0 HA LEU A 120 3.452 -6.759 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.159 -4.396 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.968 -5.277 3.614 1.00 0.00 H new ATOM 0 HG LEU A 120 3.466 -3.356 5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.294 -2.064 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.010 -2.346 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.754 -3.345 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.050 -3.558 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.374 -4.904 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.764 -5.069 6.053 1.00 0.00 H new ATOM 1613 N GLN A 121 6.729 -6.512 5.903 1.00 0.00 N ATOM 1614 CA GLN A 121 8.001 -7.240 5.815 1.00 0.00 C ATOM 1615 C GLN A 121 7.807 -8.706 6.169 1.00 0.00 C ATOM 1616 O GLN A 121 8.340 -9.606 5.505 1.00 0.00 O ATOM 1617 CB GLN A 121 9.062 -6.547 6.704 1.00 0.00 C ATOM 1618 CG GLN A 121 9.812 -5.410 6.017 1.00 0.00 C ATOM 1619 CD GLN A 121 10.960 -5.907 5.135 1.00 0.00 C ATOM 1620 OE1 GLN A 121 10.839 -6.841 4.353 1.00 0.00 O ATOM 1621 NE2 GLN A 121 12.130 -5.311 5.229 1.00 0.00 N ATOM 0 H GLN A 121 6.789 -5.678 6.488 1.00 0.00 H new ATOM 0 HA GLN A 121 8.366 -7.216 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.572 -6.157 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.783 -7.293 7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.114 -4.836 5.408 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.208 -4.732 6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 121 12.254 -4.531 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.912 -5.630 4.657 1.00 0.00 H new ATOM 1630 N ALA A 122 7.042 -8.988 7.240 1.00 0.00 N ATOM 1631 CA ALA A 122 6.783 -10.353 7.701 1.00 0.00 C ATOM 1632 C ALA A 122 5.862 -11.091 6.710 1.00 0.00 C ATOM 1633 O ALA A 122 6.050 -12.283 6.448 1.00 0.00 O ATOM 1634 CB ALA A 122 6.155 -10.292 9.098 1.00 0.00 C ATOM 0 H ALA A 122 6.589 -8.271 7.806 1.00 0.00 H new ATOM 0 HA ALA A 122 7.719 -10.909 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.957 -11.304 9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.841 -9.795 9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.220 -9.734 9.052 1.00 0.00 H new ATOM 1640 N ALA A 123 4.872 -10.413 6.085 1.00 0.00 N ATOM 1641 CA ALA A 123 3.992 -11.016 5.087 1.00 0.00 C ATOM 1642 C ALA A 123 4.747 -11.456 3.817 1.00 0.00 C ATOM 1643 O ALA A 123 4.387 -12.460 3.191 1.00 0.00 O ATOM 1644 CB ALA A 123 2.867 -10.007 4.751 1.00 0.00 C ATOM 0 H ALA A 123 4.670 -9.430 6.267 1.00 0.00 H new ATOM 0 HA ALA A 123 3.565 -11.927 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.200 -10.441 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.302 -9.777 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.306 -9.091 4.355 1.00 0.00 H new ATOM 1650 N LEU A 124 5.835 -10.756 3.471 1.00 0.00 N ATOM 1651 CA LEU A 124 6.735 -11.118 2.377 1.00 0.00 C ATOM 1652 C LEU A 124 7.370 -12.482 2.601 1.00 0.00 C ATOM 1653 O LEU A 124 7.337 -13.344 1.722 1.00 0.00 O ATOM 1654 CB LEU A 124 7.795 -10.009 2.214 1.00 0.00 C ATOM 1655 CG LEU A 124 8.489 -10.038 0.841 1.00 0.00 C ATOM 1656 CD1 LEU A 124 7.557 -9.495 -0.240 1.00 0.00 C ATOM 1657 CD2 LEU A 124 9.733 -9.154 0.848 1.00 0.00 C ATOM 0 H LEU A 124 6.117 -9.904 3.957 1.00 0.00 H new ATOM 0 HA LEU A 124 6.163 -11.200 1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.321 -9.038 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.546 -10.114 2.997 1.00 0.00 H new ATOM 0 HG LEU A 124 8.757 -11.074 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 124 8.064 -9.523 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 124 6.657 -10.108 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 124 7.285 -8.467 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.209 -9.188 -0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 124 9.448 -8.127 1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 124 10.431 -9.514 1.603 1.00 0.00 H new ATOM 1669 N ALA A 125 7.910 -12.708 3.806 1.00 0.00 N ATOM 1670 CA ALA A 125 8.500 -13.979 4.233 1.00 0.00 C ATOM 1671 C ALA A 125 7.512 -15.162 4.176 1.00 0.00 C ATOM 1672 O ALA A 125 7.904 -16.256 3.773 1.00 0.00 O ATOM 1673 CB ALA A 125 9.109 -13.808 5.639 1.00 0.00 C ATOM 0 H ALA A 125 7.948 -11.990 4.529 1.00 0.00 H new ATOM 0 HA ALA A 125 9.287 -14.236 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 125 9.550 -14.751 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.880 -13.038 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.328 -13.513 6.340 1.00 0.00 H new ATOM 1679 N GLU A 126 6.228 -14.969 4.519 1.00 0.00 N ATOM 1680 CA GLU A 126 5.179 -16.028 4.422 1.00 0.00 C ATOM 1681 C GLU A 126 5.097 -16.560 2.979 1.00 0.00 C ATOM 1682 O GLU A 126 5.171 -17.773 2.764 1.00 0.00 O ATOM 1683 CB GLU A 126 3.840 -15.549 4.944 1.00 0.00 C ATOM 1684 CG GLU A 126 3.867 -15.218 6.439 1.00 0.00 C ATOM 1685 CD GLU A 126 2.442 -14.964 6.968 1.00 0.00 C ATOM 1686 OE1 GLU A 126 1.871 -13.878 6.703 1.00 0.00 O ATOM 1687 OE2 GLU A 126 1.883 -15.854 7.658 1.00 0.00 O ATOM 0 H GLU A 126 5.876 -14.079 4.872 1.00 0.00 H new ATOM 0 HA GLU A 126 5.466 -16.859 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 126 3.534 -14.664 4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.088 -16.317 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.323 -16.040 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.486 -14.337 6.610 1.00 0.00 H new ATOM 1694 N ARG A 127 4.916 -15.664 1.994 1.00 0.00 N ATOM 1695 CA ARG A 127 4.798 -16.040 0.568 1.00 0.00 C ATOM 1696 C ARG A 127 6.170 -16.573 0.074 1.00 0.00 C ATOM 1697 O ARG A 127 6.201 -17.563 -0.661 1.00 0.00 O ATOM 1698 CB ARG A 127 4.380 -14.830 -0.288 1.00 0.00 C ATOM 1699 CG ARG A 127 2.864 -14.774 -0.523 1.00 0.00 C ATOM 1700 CD ARG A 127 2.384 -15.889 -1.469 1.00 0.00 C ATOM 1701 NE ARG A 127 0.998 -15.659 -1.917 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.343 -16.315 -2.860 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.868 -17.322 -3.501 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.873 -15.973 -3.172 1.00 0.00 N ATOM 0 H ARG A 127 4.847 -14.660 2.160 1.00 0.00 H new ATOM 0 HA ARG A 127 4.033 -16.810 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.703 -13.912 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.892 -14.874 -1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.346 -14.861 0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.598 -13.804 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 127 3.043 -15.941 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.448 -16.851 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 127 0.488 -14.911 -1.447 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.816 -17.629 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.331 -17.803 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.324 -15.196 -2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.375 -16.481 -3.900 1.00 0.00 H new ATOM 1718 N ARG A 128 7.291 -15.972 0.508 1.00 0.00 N ATOM 1719 CA ARG A 128 8.665 -16.388 0.175 1.00 0.00 C ATOM 1720 C ARG A 128 8.886 -17.881 0.395 1.00 0.00 C ATOM 1721 O ARG A 128 9.405 -18.512 -0.516 1.00 0.00 O ATOM 1722 CB ARG A 128 9.679 -15.532 0.956 1.00 0.00 C ATOM 1723 CG ARG A 128 11.153 -15.765 0.591 1.00 0.00 C ATOM 1724 CD ARG A 128 11.772 -16.944 1.360 1.00 0.00 C ATOM 1725 NE ARG A 128 13.237 -16.949 1.235 1.00 0.00 N ATOM 1726 CZ ARG A 128 14.117 -17.503 2.045 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.764 -18.162 3.116 1.00 0.00 N ATOM 1728 NH2 ARG A 128 15.386 -17.392 1.773 1.00 0.00 N ATOM 0 H ARG A 128 7.265 -15.157 1.120 1.00 0.00 H new ATOM 0 HA ARG A 128 8.821 -16.217 -0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.443 -14.480 0.793 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.550 -15.727 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.233 -15.952 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.723 -14.860 0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.494 -16.881 2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.369 -17.882 0.979 1.00 0.00 H new ATOM 0 HE ARG A 128 13.619 -16.465 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.776 -18.262 3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.476 -18.576 3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.687 -16.882 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.079 -17.815 2.390 1.00 0.00 H new