USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=7 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 Set 1.1: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 112 GLN : amide:sc= 0 X(o=0,f=0) 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 66:sc= 0.0251 USER MOD Single : A 92 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.2) USER MOD Single : A 95 GLN : amide:sc= -0.0962 X(o=-0.096,f=-0.3) USER MOD Single : A 96 LYS NZ :NH3+ -115:sc= 0.111 (180deg=-0.0689) 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 114 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.429 18.162 9.099 1.00 0.00 N ATOM 575 CA ASN A 56 -2.591 17.544 8.068 1.00 0.00 C ATOM 576 C ASN A 56 -2.176 16.090 8.406 1.00 0.00 C ATOM 577 O ASN A 56 -1.750 15.365 7.506 1.00 0.00 O ATOM 578 CB ASN A 56 -1.381 18.456 7.791 1.00 0.00 C ATOM 579 CG ASN A 56 -1.762 19.685 6.983 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.918 19.636 5.771 1.00 0.00 O ATOM 581 ND2 ASN A 56 -1.919 20.825 7.619 1.00 0.00 N ATOM 0 HA ASN A 56 -3.182 17.451 7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.939 18.768 8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.618 17.892 7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.171 21.667 7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.789 20.867 8.630 1.00 0.00 H new ATOM 588 N SER A 57 -2.327 15.616 9.655 1.00 0.00 N ATOM 589 CA SER A 57 -2.052 14.212 10.015 1.00 0.00 C ATOM 590 C SER A 57 -3.014 13.250 9.300 1.00 0.00 C ATOM 591 O SER A 57 -2.615 12.159 8.895 1.00 0.00 O ATOM 592 CB SER A 57 -2.098 14.001 11.536 1.00 0.00 C ATOM 593 OG SER A 57 -3.426 13.910 12.031 1.00 0.00 O ATOM 0 H SER A 57 -2.640 16.189 10.438 1.00 0.00 H new ATOM 0 HA SER A 57 -1.040 13.986 9.678 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.555 13.090 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.585 14.826 12.030 1.00 0.00 H new ATOM 0 HG SER A 57 -3.405 13.774 13.001 1.00 0.00 H new ATOM 599 N HIS A 58 -4.269 13.664 9.065 1.00 0.00 N ATOM 600 CA HIS A 58 -5.250 12.879 8.295 1.00 0.00 C ATOM 601 C HIS A 58 -4.765 12.616 6.862 1.00 0.00 C ATOM 602 O HIS A 58 -4.959 11.510 6.357 1.00 0.00 O ATOM 603 CB HIS A 58 -6.626 13.569 8.281 1.00 0.00 C ATOM 604 CG HIS A 58 -7.504 13.194 9.450 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.505 12.239 9.421 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.468 13.741 10.702 1.00 0.00 C ATOM 607 CE1 HIS A 58 -9.078 12.211 10.642 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.463 13.114 11.437 1.00 0.00 N ATOM 0 H HIS A 58 -4.634 14.554 9.404 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.354 11.916 8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.481 14.649 8.279 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.141 13.314 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.796 14.511 11.051 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.896 11.570 10.936 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.692 13.303 12.413 1.00 0.00 H new ATOM 617 N PHE A 59 -4.096 13.587 6.227 1.00 0.00 N ATOM 618 CA PHE A 59 -3.496 13.413 4.899 1.00 0.00 C ATOM 619 C PHE A 59 -2.478 12.268 4.899 1.00 0.00 C ATOM 620 O PHE A 59 -2.569 11.381 4.051 1.00 0.00 O ATOM 621 CB PHE A 59 -2.856 14.715 4.392 1.00 0.00 C ATOM 622 CG PHE A 59 -2.561 14.691 2.899 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.484 13.936 2.389 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.393 15.397 2.009 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.266 13.859 1.001 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.164 15.334 0.623 1.00 0.00 C ATOM 627 CZ PHE A 59 -2.106 14.557 0.117 1.00 0.00 C ATOM 0 H PHE A 59 -3.956 14.517 6.621 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.300 13.152 4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.521 15.550 4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.929 14.894 4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.824 13.415 3.067 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.211 15.989 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.452 13.263 0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.801 15.883 -0.054 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.940 14.497 -0.948 1.00 0.00 H new ATOM 637 N PHE A 60 -1.549 12.254 5.867 1.00 0.00 N ATOM 638 CA PHE A 60 -0.574 11.175 6.043 1.00 0.00 C ATOM 639 C PHE A 60 -1.252 9.808 6.121 1.00 0.00 C ATOM 640 O PHE A 60 -0.914 8.930 5.333 1.00 0.00 O ATOM 641 CB PHE A 60 0.286 11.399 7.293 1.00 0.00 C ATOM 642 CG PHE A 60 1.123 10.185 7.668 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.090 9.704 6.769 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.880 9.485 8.868 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.797 8.528 7.060 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.604 8.316 9.167 1.00 0.00 C ATOM 647 CZ PHE A 60 2.559 7.834 8.255 1.00 0.00 C ATOM 0 H PHE A 60 -1.455 13.001 6.555 1.00 0.00 H new ATOM 0 HA PHE A 60 0.072 11.189 5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.946 12.250 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.362 11.659 8.130 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.289 10.240 5.853 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.135 9.848 9.561 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.529 8.155 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.427 7.791 10.094 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.109 6.931 8.474 1.00 0.00 H new ATOM 657 N VAL A 61 -2.224 9.629 7.025 1.00 0.00 N ATOM 658 CA VAL A 61 -2.947 8.352 7.161 1.00 0.00 C ATOM 659 C VAL A 61 -3.564 7.913 5.825 1.00 0.00 C ATOM 660 O VAL A 61 -3.503 6.732 5.485 1.00 0.00 O ATOM 661 CB VAL A 61 -4.003 8.403 8.284 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.692 7.041 8.438 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.363 8.755 9.633 1.00 0.00 C ATOM 0 H VAL A 61 -2.530 10.352 7.676 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.215 7.598 7.449 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.726 9.169 8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.434 7.096 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.184 6.774 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.949 6.283 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.133 8.783 10.404 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.619 8.001 9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.882 9.731 9.564 1.00 0.00 H new ATOM 673 N ALA A 62 -4.078 8.855 5.028 1.00 0.00 N ATOM 674 CA ALA A 62 -4.601 8.592 3.682 1.00 0.00 C ATOM 675 C ALA A 62 -3.508 8.101 2.707 1.00 0.00 C ATOM 676 O ALA A 62 -3.607 6.996 2.166 1.00 0.00 O ATOM 677 CB ALA A 62 -5.342 9.835 3.155 1.00 0.00 C ATOM 0 H ALA A 62 -4.144 9.835 5.303 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.316 7.772 3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.727 9.632 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.170 10.075 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.653 10.679 3.114 1.00 0.00 H new ATOM 683 N THR A 63 -2.458 8.901 2.475 1.00 0.00 N ATOM 684 CA THR A 63 -1.362 8.566 1.541 1.00 0.00 C ATOM 685 C THR A 63 -0.610 7.288 1.952 1.00 0.00 C ATOM 686 O THR A 63 -0.315 6.431 1.115 1.00 0.00 O ATOM 687 CB THR A 63 -0.417 9.767 1.324 1.00 0.00 C ATOM 688 OG1 THR A 63 0.526 9.471 0.318 1.00 0.00 O ATOM 689 CG2 THR A 63 0.348 10.248 2.546 1.00 0.00 C ATOM 0 H THR A 63 -2.340 9.806 2.931 1.00 0.00 H new ATOM 0 HA THR A 63 -1.819 8.345 0.577 1.00 0.00 H new ATOM 0 HB THR A 63 -1.092 10.576 1.045 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.119 10.241 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.978 11.094 2.271 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.357 10.556 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.972 9.439 2.926 1.00 0.00 H new ATOM 697 N PHE A 64 -0.392 7.090 3.254 1.00 0.00 N ATOM 698 CA PHE A 64 0.209 5.895 3.841 1.00 0.00 C ATOM 699 C PHE A 64 -0.656 4.645 3.613 1.00 0.00 C ATOM 700 O PHE A 64 -0.148 3.618 3.161 1.00 0.00 O ATOM 701 CB PHE A 64 0.443 6.157 5.336 1.00 0.00 C ATOM 702 CG PHE A 64 1.215 5.058 6.022 1.00 0.00 C ATOM 703 CD1 PHE A 64 2.621 5.093 6.034 1.00 0.00 C ATOM 704 CD2 PHE A 64 0.529 3.977 6.605 1.00 0.00 C ATOM 705 CE1 PHE A 64 3.340 4.015 6.573 1.00 0.00 C ATOM 706 CE2 PHE A 64 1.253 2.904 7.150 1.00 0.00 C ATOM 707 CZ PHE A 64 2.655 2.916 7.108 1.00 0.00 C ATOM 0 H PHE A 64 -0.640 7.788 3.955 1.00 0.00 H new ATOM 0 HA PHE A 64 1.161 5.692 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.982 7.097 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.520 6.278 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.145 5.946 5.630 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.551 3.972 6.633 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.420 4.032 6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.732 2.072 7.600 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.210 2.072 7.491 1.00 0.00 H new ATOM 717 N ALA A 65 -1.968 4.724 3.874 1.00 0.00 N ATOM 718 CA ALA A 65 -2.912 3.640 3.599 1.00 0.00 C ATOM 719 C ALA A 65 -2.926 3.236 2.113 1.00 0.00 C ATOM 720 O ALA A 65 -2.862 2.047 1.800 1.00 0.00 O ATOM 721 CB ALA A 65 -4.310 4.040 4.074 1.00 0.00 C ATOM 0 H ALA A 65 -2.404 5.549 4.285 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.582 2.761 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.010 3.230 3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.288 4.236 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.630 4.939 3.547 1.00 0.00 H new ATOM 727 N ARG A 66 -2.966 4.208 1.191 1.00 0.00 N ATOM 728 CA ARG A 66 -2.932 3.959 -0.262 1.00 0.00 C ATOM 729 C ARG A 66 -1.681 3.195 -0.705 1.00 0.00 C ATOM 730 O ARG A 66 -1.780 2.268 -1.508 1.00 0.00 O ATOM 731 CB ARG A 66 -3.071 5.290 -1.026 1.00 0.00 C ATOM 732 CG ARG A 66 -4.491 5.879 -0.956 1.00 0.00 C ATOM 733 CD ARG A 66 -5.483 5.071 -1.804 1.00 0.00 C ATOM 734 NE ARG A 66 -6.851 5.610 -1.701 1.00 0.00 N ATOM 735 CZ ARG A 66 -7.942 5.097 -2.242 1.00 0.00 C ATOM 736 NH1 ARG A 66 -7.909 4.022 -2.980 1.00 0.00 N ATOM 737 NH2 ARG A 66 -9.101 5.657 -2.049 1.00 0.00 N ATOM 0 H ARG A 66 -3.023 5.198 1.432 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.779 3.317 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.364 6.012 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.800 5.133 -2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.827 5.895 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.474 6.912 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.165 5.082 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.476 4.030 -1.480 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.967 6.465 -1.157 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.022 3.550 -3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.771 3.653 -3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.172 6.498 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.938 5.255 -2.470 1.00 0.00 H new ATOM 751 N GLU A 67 -0.521 3.540 -0.154 1.00 0.00 N ATOM 752 CA GLU A 67 0.743 2.849 -0.415 1.00 0.00 C ATOM 753 C GLU A 67 0.796 1.446 0.222 1.00 0.00 C ATOM 754 O GLU A 67 1.117 0.476 -0.470 1.00 0.00 O ATOM 755 CB GLU A 67 1.898 3.717 0.098 1.00 0.00 C ATOM 756 CG GLU A 67 2.264 4.899 -0.808 1.00 0.00 C ATOM 757 CD GLU A 67 2.834 4.445 -2.167 1.00 0.00 C ATOM 758 OE1 GLU A 67 4.045 4.134 -2.247 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.076 4.411 -3.166 1.00 0.00 O ATOM 0 H GLU A 67 -0.429 4.320 0.497 1.00 0.00 H new ATOM 0 HA GLU A 67 0.831 2.700 -1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.636 4.100 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.779 3.088 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.379 5.512 -0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.997 5.528 -0.302 1.00 0.00 H new ATOM 766 N ARG A 68 0.468 1.305 1.518 1.00 0.00 N ATOM 767 CA ARG A 68 0.546 0.020 2.241 1.00 0.00 C ATOM 768 C ARG A 68 -0.411 -1.026 1.662 1.00 0.00 C ATOM 769 O ARG A 68 -0.049 -2.191 1.516 1.00 0.00 O ATOM 770 CB ARG A 68 0.372 0.249 3.757 1.00 0.00 C ATOM 771 CG ARG A 68 -1.078 0.259 4.245 1.00 0.00 C ATOM 772 CD ARG A 68 -1.176 0.743 5.690 1.00 0.00 C ATOM 773 NE ARG A 68 -2.496 0.442 6.277 1.00 0.00 N ATOM 774 CZ ARG A 68 -2.959 0.823 7.455 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.309 1.643 8.230 1.00 0.00 N ATOM 776 NH2 ARG A 68 -4.102 0.375 7.886 1.00 0.00 N ATOM 0 H ARG A 68 0.141 2.079 2.096 1.00 0.00 H new ATOM 0 HA ARG A 68 1.540 -0.402 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.915 -0.530 4.292 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.836 1.199 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.676 0.905 3.602 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.497 -0.744 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.396 0.270 6.286 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.998 1.818 5.727 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.124 -0.126 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.407 2.017 7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.702 1.912 9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.644 -0.273 7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.456 0.671 8.796 1.00 0.00 H new ATOM 790 N ALA A 69 -1.610 -0.595 1.267 1.00 0.00 N ATOM 791 CA ALA A 69 -2.614 -1.428 0.618 1.00 0.00 C ATOM 792 C ALA A 69 -2.105 -2.026 -0.707 1.00 0.00 C ATOM 793 O ALA A 69 -2.385 -3.188 -0.999 1.00 0.00 O ATOM 794 CB ALA A 69 -3.872 -0.579 0.429 1.00 0.00 C ATOM 0 H ALA A 69 -1.914 0.370 1.395 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.844 -2.289 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.644 -1.176 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.232 -0.240 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.638 0.285 -0.193 1.00 0.00 H new ATOM 800 N ALA A 70 -1.306 -1.274 -1.477 1.00 0.00 N ATOM 801 CA ALA A 70 -0.679 -1.774 -2.701 1.00 0.00 C ATOM 802 C ALA A 70 0.281 -2.943 -2.406 1.00 0.00 C ATOM 803 O ALA A 70 0.232 -3.956 -3.100 1.00 0.00 O ATOM 804 CB ALA A 70 0.036 -0.622 -3.432 1.00 0.00 C ATOM 0 H ALA A 70 -1.078 -0.302 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.458 -2.166 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.501 -1.001 -4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.688 0.151 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.803 -0.199 -2.783 1.00 0.00 H new ATOM 810 N VAL A 71 1.111 -2.835 -1.357 1.00 0.00 N ATOM 811 CA VAL A 71 2.023 -3.904 -0.893 1.00 0.00 C ATOM 812 C VAL A 71 1.249 -5.151 -0.453 1.00 0.00 C ATOM 813 O VAL A 71 1.597 -6.274 -0.816 1.00 0.00 O ATOM 814 CB VAL A 71 2.915 -3.452 0.283 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.053 -4.455 0.501 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.505 -2.047 0.104 1.00 0.00 C ATOM 0 H VAL A 71 1.172 -1.987 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 71 2.656 -4.138 -1.749 1.00 0.00 H new ATOM 0 HB VAL A 71 2.264 -3.415 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.675 -4.125 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.635 -5.436 0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.660 -4.519 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.120 -1.798 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.118 -2.022 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.696 -1.322 0.013 1.00 0.00 H new ATOM 826 N GLU A 72 0.189 -4.956 0.331 1.00 0.00 N ATOM 827 CA GLU A 72 -0.663 -6.031 0.845 1.00 0.00 C ATOM 828 C GLU A 72 -1.372 -6.788 -0.297 1.00 0.00 C ATOM 829 O GLU A 72 -1.411 -8.019 -0.298 1.00 0.00 O ATOM 830 CB GLU A 72 -1.629 -5.425 1.878 1.00 0.00 C ATOM 831 CG GLU A 72 -1.973 -6.368 3.038 1.00 0.00 C ATOM 832 CD GLU A 72 -3.093 -7.377 2.711 1.00 0.00 C ATOM 833 OE1 GLU A 72 -4.218 -6.950 2.352 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.876 -8.602 2.874 1.00 0.00 O ATOM 0 H GLU A 72 -0.108 -4.028 0.633 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.061 -6.790 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.188 -4.514 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.550 -5.136 1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.076 -6.916 3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.274 -5.773 3.900 1.00 0.00 H new ATOM 841 N GLU A 73 -1.869 -6.074 -1.314 1.00 0.00 N ATOM 842 CA GLU A 73 -2.474 -6.666 -2.518 1.00 0.00 C ATOM 843 C GLU A 73 -1.422 -7.291 -3.461 1.00 0.00 C ATOM 844 O GLU A 73 -1.730 -8.229 -4.198 1.00 0.00 O ATOM 845 CB GLU A 73 -3.282 -5.599 -3.283 1.00 0.00 C ATOM 846 CG GLU A 73 -4.441 -6.193 -4.104 1.00 0.00 C ATOM 847 CD GLU A 73 -5.705 -6.540 -3.279 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.657 -6.603 -2.027 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.778 -6.748 -3.898 1.00 0.00 O ATOM 0 H GLU A 73 -1.863 -5.054 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.133 -7.467 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.681 -4.876 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.614 -5.055 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.716 -5.484 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.090 -7.096 -4.603 1.00 0.00 H new ATOM 856 N LEU A 74 -0.165 -6.824 -3.421 1.00 0.00 N ATOM 857 CA LEU A 74 0.950 -7.368 -4.206 1.00 0.00 C ATOM 858 C LEU A 74 1.135 -8.868 -3.935 1.00 0.00 C ATOM 859 O LEU A 74 1.305 -9.646 -4.868 1.00 0.00 O ATOM 860 CB LEU A 74 2.241 -6.577 -3.912 1.00 0.00 C ATOM 861 CG LEU A 74 3.033 -6.100 -5.141 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.485 -7.239 -6.053 1.00 0.00 C ATOM 863 CD2 LEU A 74 2.270 -5.054 -5.954 1.00 0.00 C ATOM 0 H LEU A 74 0.109 -6.040 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 74 0.717 -7.258 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.981 -5.705 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.895 -7.201 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 74 3.929 -5.636 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.037 -6.830 -6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.128 -7.919 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.613 -7.781 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.871 -4.749 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.330 -5.480 -6.304 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.064 -4.186 -5.328 1.00 0.00 H new ATOM 875 N LEU A 75 1.029 -9.283 -2.669 1.00 0.00 N ATOM 876 CA LEU A 75 1.095 -10.683 -2.236 1.00 0.00 C ATOM 877 C LEU A 75 -0.044 -11.556 -2.796 1.00 0.00 C ATOM 878 O LEU A 75 0.169 -12.744 -3.043 1.00 0.00 O ATOM 879 CB LEU A 75 1.098 -10.728 -0.700 1.00 0.00 C ATOM 880 CG LEU A 75 2.388 -10.165 -0.074 1.00 0.00 C ATOM 881 CD1 LEU A 75 2.195 -10.025 1.432 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.593 -11.073 -0.352 1.00 0.00 C ATOM 0 H LEU A 75 0.891 -8.635 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 75 2.016 -11.105 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.245 -10.163 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.965 -11.759 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 75 2.589 -9.193 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.105 -9.627 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.366 -9.346 1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.976 -11.002 1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.485 -10.644 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.409 -12.061 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.742 -11.160 -1.428 1.00 0.00 H new ATOM 894 N GLU A 76 -1.238 -10.999 -3.028 1.00 0.00 N ATOM 895 CA GLU A 76 -2.355 -11.716 -3.658 1.00 0.00 C ATOM 896 C GLU A 76 -2.127 -11.966 -5.163 1.00 0.00 C ATOM 897 O GLU A 76 -2.626 -12.961 -5.698 1.00 0.00 O ATOM 898 CB GLU A 76 -3.678 -10.959 -3.439 1.00 0.00 C ATOM 899 CG GLU A 76 -4.391 -11.417 -2.155 1.00 0.00 C ATOM 900 CD GLU A 76 -5.828 -10.863 -2.020 1.00 0.00 C ATOM 901 OE1 GLU A 76 -6.600 -10.878 -3.011 1.00 0.00 O ATOM 902 OE2 GLU A 76 -6.225 -10.470 -0.895 1.00 0.00 O ATOM 0 H GLU A 76 -1.459 -10.034 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.413 -12.691 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.480 -9.889 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.334 -11.117 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.426 -12.506 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.806 -11.102 -1.291 1.00 0.00 H new ATOM 909 N ARG A 77 -1.352 -11.109 -5.847 1.00 0.00 N ATOM 910 CA ARG A 77 -0.995 -11.225 -7.269 1.00 0.00 C ATOM 911 C ARG A 77 0.388 -11.876 -7.500 1.00 0.00 C ATOM 912 O ARG A 77 0.660 -12.358 -8.603 1.00 0.00 O ATOM 913 CB ARG A 77 -1.202 -9.831 -7.904 1.00 0.00 C ATOM 914 CG ARG A 77 -0.386 -9.583 -9.175 1.00 0.00 C ATOM 915 CD ARG A 77 -0.915 -8.430 -10.032 1.00 0.00 C ATOM 916 NE ARG A 77 -1.922 -8.906 -11.004 1.00 0.00 N ATOM 917 CZ ARG A 77 -2.223 -8.380 -12.180 1.00 0.00 C ATOM 918 NH1 ARG A 77 -1.721 -7.246 -12.582 1.00 0.00 N ATOM 919 NH2 ARG A 77 -3.040 -8.993 -12.986 1.00 0.00 N ATOM 0 H ARG A 77 -0.942 -10.285 -5.407 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.648 -11.931 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.259 -9.705 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.945 -9.069 -7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.647 -9.373 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.377 -10.494 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.357 -7.669 -9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.088 -7.958 -10.563 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.447 -9.739 -10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.073 -6.734 -11.983 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.976 -6.871 -13.496 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -3.453 -9.885 -12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -3.268 -8.582 -13.891 1.00 0.00 H new ATOM 933 N ALA A 78 1.268 -11.924 -6.500 1.00 0.00 N ATOM 934 CA ALA A 78 2.605 -12.524 -6.567 1.00 0.00 C ATOM 935 C ALA A 78 2.565 -14.058 -6.754 1.00 0.00 C ATOM 936 O ALA A 78 2.476 -14.828 -5.796 1.00 0.00 O ATOM 937 CB ALA A 78 3.423 -12.101 -5.339 1.00 0.00 C ATOM 0 H ALA A 78 1.062 -11.530 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 78 3.103 -12.145 -7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.416 -12.548 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.515 -11.015 -5.319 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.920 -12.439 -4.433 1.00 0.00 H new ATOM 943 N GLU A 79 2.634 -14.500 -8.011 1.00 0.00 N ATOM 944 CA GLU A 79 2.687 -15.906 -8.428 1.00 0.00 C ATOM 945 C GLU A 79 4.093 -16.512 -8.250 1.00 0.00 C ATOM 946 O GLU A 79 4.219 -17.697 -7.934 1.00 0.00 O ATOM 947 CB GLU A 79 2.224 -15.966 -9.893 1.00 0.00 C ATOM 948 CG GLU A 79 2.231 -17.377 -10.486 1.00 0.00 C ATOM 949 CD GLU A 79 1.348 -17.461 -11.748 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.653 -16.784 -12.761 1.00 0.00 O ATOM 951 OE2 GLU A 79 0.337 -18.206 -11.737 1.00 0.00 O ATOM 0 H GLU A 79 2.656 -13.859 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 79 2.031 -16.506 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.216 -15.558 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.869 -15.326 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.253 -17.664 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.873 -18.088 -9.741 1.00 0.00 H new ATOM 958 N SER A 80 5.138 -15.687 -8.407 1.00 0.00 N ATOM 959 CA SER A 80 6.558 -16.060 -8.285 1.00 0.00 C ATOM 960 C SER A 80 7.381 -14.959 -7.596 1.00 0.00 C ATOM 961 O SER A 80 6.905 -13.833 -7.411 1.00 0.00 O ATOM 962 CB SER A 80 7.154 -16.368 -9.671 1.00 0.00 C ATOM 963 OG SER A 80 6.476 -17.442 -10.303 1.00 0.00 O ATOM 0 H SER A 80 5.014 -14.700 -8.632 1.00 0.00 H new ATOM 0 HA SER A 80 6.606 -16.954 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.095 -15.479 -10.299 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.211 -16.615 -9.567 1.00 0.00 H new ATOM 0 HG SER A 80 6.877 -17.611 -11.181 1.00 0.00 H new ATOM 969 N VAL A 81 8.647 -15.256 -7.267 1.00 0.00 N ATOM 970 CA VAL A 81 9.605 -14.308 -6.653 1.00 0.00 C ATOM 971 C VAL A 81 9.786 -13.026 -7.491 1.00 0.00 C ATOM 972 O VAL A 81 10.009 -11.950 -6.942 1.00 0.00 O ATOM 973 CB VAL A 81 10.973 -14.971 -6.383 1.00 0.00 C ATOM 974 CG1 VAL A 81 11.890 -14.051 -5.563 1.00 0.00 C ATOM 975 CG2 VAL A 81 10.842 -16.276 -5.581 1.00 0.00 C ATOM 0 H VAL A 81 9.048 -16.181 -7.422 1.00 0.00 H new ATOM 0 HA VAL A 81 9.170 -14.017 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 81 11.392 -15.172 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.845 -14.548 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.058 -13.123 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.419 -13.828 -4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.831 -16.703 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.374 -16.067 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.228 -16.985 -6.137 1.00 0.00 H new ATOM 985 N GLU A 82 9.608 -13.108 -8.815 1.00 0.00 N ATOM 986 CA GLU A 82 9.641 -11.974 -9.755 1.00 0.00 C ATOM 987 C GLU A 82 8.758 -10.790 -9.311 1.00 0.00 C ATOM 988 O GLU A 82 9.231 -9.651 -9.273 1.00 0.00 O ATOM 989 CB GLU A 82 9.222 -12.454 -11.157 1.00 0.00 C ATOM 990 CG GLU A 82 10.304 -13.271 -11.878 1.00 0.00 C ATOM 991 CD GLU A 82 11.507 -12.402 -12.299 1.00 0.00 C ATOM 992 OE1 GLU A 82 11.360 -11.555 -13.215 1.00 0.00 O ATOM 993 OE2 GLU A 82 12.611 -12.566 -11.726 1.00 0.00 O ATOM 0 H GLU A 82 9.430 -13.998 -9.281 1.00 0.00 H new ATOM 0 HA GLU A 82 10.666 -11.603 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.320 -13.059 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.967 -11.587 -11.767 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.648 -14.072 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.873 -13.743 -12.761 1.00 0.00 H new ATOM 1000 N ARG A 83 7.486 -11.039 -8.954 1.00 0.00 N ATOM 1001 CA ARG A 83 6.579 -10.006 -8.411 1.00 0.00 C ATOM 1002 C ARG A 83 6.791 -9.753 -6.914 1.00 0.00 C ATOM 1003 O ARG A 83 6.544 -8.641 -6.449 1.00 0.00 O ATOM 1004 CB ARG A 83 5.109 -10.347 -8.713 1.00 0.00 C ATOM 1005 CG ARG A 83 4.747 -10.008 -10.170 1.00 0.00 C ATOM 1006 CD ARG A 83 3.235 -9.842 -10.377 1.00 0.00 C ATOM 1007 NE ARG A 83 2.495 -11.117 -10.431 1.00 0.00 N ATOM 1008 CZ ARG A 83 2.269 -11.879 -11.486 1.00 0.00 C ATOM 1009 NH1 ARG A 83 2.848 -11.673 -12.633 1.00 0.00 N ATOM 1010 NH2 ARG A 83 1.431 -12.868 -11.388 1.00 0.00 N ATOM 0 H ARG A 83 7.056 -11.960 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 83 6.829 -9.075 -8.920 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.934 -11.407 -8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.458 -9.794 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.254 -9.088 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.116 -10.797 -10.826 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.832 -9.234 -9.567 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.063 -9.294 -11.303 1.00 0.00 H new ATOM 0 HE ARG A 83 2.111 -11.451 -9.547 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.504 -10.899 -12.742 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.646 -12.285 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.956 -13.048 -10.503 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.248 -13.463 -12.196 1.00 0.00 H new ATOM 1024 N LEU A 84 7.295 -10.738 -6.168 1.00 0.00 N ATOM 1025 CA LEU A 84 7.647 -10.599 -4.748 1.00 0.00 C ATOM 1026 C LEU A 84 8.695 -9.490 -4.516 1.00 0.00 C ATOM 1027 O LEU A 84 8.601 -8.747 -3.540 1.00 0.00 O ATOM 1028 CB LEU A 84 8.150 -11.955 -4.224 1.00 0.00 C ATOM 1029 CG LEU A 84 8.033 -12.117 -2.701 1.00 0.00 C ATOM 1030 CD1 LEU A 84 6.603 -12.478 -2.296 1.00 0.00 C ATOM 1031 CD2 LEU A 84 8.972 -13.220 -2.219 1.00 0.00 C ATOM 0 H LEU A 84 7.474 -11.672 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 84 6.756 -10.300 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.586 -12.752 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.193 -12.081 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 84 8.305 -11.166 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.548 -12.587 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.924 -11.688 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.317 -13.417 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.882 -13.328 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.706 -14.161 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.999 -12.960 -2.474 1.00 0.00 H new ATOM 1043 N GLU A 85 9.668 -9.338 -5.424 1.00 0.00 N ATOM 1044 CA GLU A 85 10.657 -8.249 -5.362 1.00 0.00 C ATOM 1045 C GLU A 85 10.006 -6.855 -5.426 1.00 0.00 C ATOM 1046 O GLU A 85 10.407 -5.968 -4.674 1.00 0.00 O ATOM 1047 CB GLU A 85 11.706 -8.366 -6.482 1.00 0.00 C ATOM 1048 CG GLU A 85 12.705 -9.510 -6.255 1.00 0.00 C ATOM 1049 CD GLU A 85 13.939 -9.408 -7.180 1.00 0.00 C ATOM 1050 OE1 GLU A 85 13.816 -8.989 -8.358 1.00 0.00 O ATOM 1051 OE2 GLU A 85 15.060 -9.756 -6.730 1.00 0.00 O ATOM 0 H GLU A 85 9.793 -9.963 -6.220 1.00 0.00 H new ATOM 0 HA GLU A 85 11.149 -8.356 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.197 -8.520 -7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.251 -7.426 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.032 -9.502 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.205 -10.464 -6.424 1.00 0.00 H new ATOM 1058 N GLU A 86 8.989 -6.650 -6.276 1.00 0.00 N ATOM 1059 CA GLU A 86 8.287 -5.360 -6.379 1.00 0.00 C ATOM 1060 C GLU A 86 7.602 -4.974 -5.058 1.00 0.00 C ATOM 1061 O GLU A 86 7.694 -3.823 -4.635 1.00 0.00 O ATOM 1062 CB GLU A 86 7.286 -5.358 -7.551 1.00 0.00 C ATOM 1063 CG GLU A 86 6.711 -3.947 -7.784 1.00 0.00 C ATOM 1064 CD GLU A 86 5.715 -3.853 -8.959 1.00 0.00 C ATOM 1065 OE1 GLU A 86 6.003 -4.380 -10.062 1.00 0.00 O ATOM 1066 OE2 GLU A 86 4.657 -3.193 -8.793 1.00 0.00 O ATOM 0 H GLU A 86 8.631 -7.367 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 86 9.040 -4.600 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.781 -5.707 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.475 -6.055 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.212 -3.616 -6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.535 -3.257 -7.965 1.00 0.00 H new ATOM 1073 N ALA A 87 6.970 -5.924 -4.361 1.00 0.00 N ATOM 1074 CA ALA A 87 6.358 -5.687 -3.049 1.00 0.00 C ATOM 1075 C ALA A 87 7.363 -5.103 -2.031 1.00 0.00 C ATOM 1076 O ALA A 87 7.066 -4.119 -1.346 1.00 0.00 O ATOM 1077 CB ALA A 87 5.742 -7.000 -2.563 1.00 0.00 C ATOM 0 H ALA A 87 6.868 -6.883 -4.692 1.00 0.00 H new ATOM 0 HA ALA A 87 5.577 -4.933 -3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.281 -6.846 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.985 -7.332 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.520 -7.759 -2.481 1.00 0.00 H new ATOM 1083 N ALA A 88 8.577 -5.659 -1.972 1.00 0.00 N ATOM 1084 CA ALA A 88 9.662 -5.141 -1.133 1.00 0.00 C ATOM 1085 C ALA A 88 10.156 -3.739 -1.560 1.00 0.00 C ATOM 1086 O ALA A 88 10.711 -3.006 -0.741 1.00 0.00 O ATOM 1087 CB ALA A 88 10.796 -6.170 -1.101 1.00 0.00 C ATOM 0 H ALA A 88 8.836 -6.487 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 88 9.273 -4.996 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.610 -5.796 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.425 -7.108 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.162 -6.340 -2.114 1.00 0.00 H new ATOM 1093 N SER A 89 9.927 -3.326 -2.810 1.00 0.00 N ATOM 1094 CA SER A 89 10.246 -1.980 -3.319 1.00 0.00 C ATOM 1095 C SER A 89 9.145 -0.983 -2.950 1.00 0.00 C ATOM 1096 O SER A 89 9.447 0.139 -2.538 1.00 0.00 O ATOM 1097 CB SER A 89 10.435 -1.983 -4.841 1.00 0.00 C ATOM 1098 OG SER A 89 11.446 -2.894 -5.243 1.00 0.00 O ATOM 0 H SER A 89 9.505 -3.929 -3.516 1.00 0.00 H new ATOM 0 HA SER A 89 11.182 -1.676 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.494 -2.247 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.695 -0.979 -5.177 1.00 0.00 H new ATOM 0 HG SER A 89 11.158 -3.810 -5.046 1.00 0.00 H new ATOM 1104 N ARG A 90 7.867 -1.390 -3.033 1.00 0.00 N ATOM 1105 CA ARG A 90 6.716 -0.572 -2.608 1.00 0.00 C ATOM 1106 C ARG A 90 6.840 -0.159 -1.137 1.00 0.00 C ATOM 1107 O ARG A 90 6.701 1.022 -0.819 1.00 0.00 O ATOM 1108 CB ARG A 90 5.383 -1.304 -2.866 1.00 0.00 C ATOM 1109 CG ARG A 90 5.043 -1.630 -4.331 1.00 0.00 C ATOM 1110 CD ARG A 90 5.150 -0.399 -5.236 1.00 0.00 C ATOM 1111 NE ARG A 90 4.635 -0.667 -6.592 1.00 0.00 N ATOM 1112 CZ ARG A 90 4.418 0.227 -7.538 1.00 0.00 C ATOM 1113 NH1 ARG A 90 4.680 1.494 -7.368 1.00 0.00 N ATOM 1114 NH2 ARG A 90 3.929 -0.147 -8.684 1.00 0.00 N ATOM 0 H ARG A 90 7.601 -2.304 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 90 6.719 0.336 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.394 -2.238 -2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.576 -0.695 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.716 -2.406 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.032 -2.033 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.593 0.427 -4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.192 -0.084 -5.299 1.00 0.00 H new ATOM 0 HE ARG A 90 4.426 -1.639 -6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.065 1.821 -6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.500 2.158 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.714 -1.130 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.761 0.543 -9.416 1.00 0.00 H new ATOM 1128 N LEU A 91 7.165 -1.103 -0.245 1.00 0.00 N ATOM 1129 CA LEU A 91 7.341 -0.814 1.187 1.00 0.00 C ATOM 1130 C LEU A 91 8.569 0.074 1.477 1.00 0.00 C ATOM 1131 O LEU A 91 8.519 0.922 2.364 1.00 0.00 O ATOM 1132 CB LEU A 91 7.282 -2.133 1.985 1.00 0.00 C ATOM 1133 CG LEU A 91 8.588 -2.930 2.149 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.387 -2.496 3.382 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.264 -4.416 2.304 1.00 0.00 C ATOM 0 H LEU A 91 7.313 -2.082 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 91 6.513 -0.196 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.901 -1.906 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.551 -2.783 1.505 1.00 0.00 H new ATOM 0 HG LEU A 91 9.188 -2.740 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.299 -3.089 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.646 -1.441 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.785 -2.649 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.189 -4.980 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.637 -4.562 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.734 -4.767 1.419 1.00 0.00 H new ATOM 1147 N GLN A 92 9.651 -0.043 0.697 1.00 0.00 N ATOM 1148 CA GLN A 92 10.838 0.824 0.809 1.00 0.00 C ATOM 1149 C GLN A 92 10.558 2.305 0.471 1.00 0.00 C ATOM 1150 O GLN A 92 11.302 3.191 0.899 1.00 0.00 O ATOM 1151 CB GLN A 92 11.977 0.248 -0.053 1.00 0.00 C ATOM 1152 CG GLN A 92 12.752 -0.867 0.673 1.00 0.00 C ATOM 1153 CD GLN A 92 13.603 -0.358 1.838 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.287 0.655 1.762 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.608 -1.040 2.965 1.00 0.00 N ATOM 0 H GLN A 92 9.731 -0.747 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 92 11.141 0.828 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.564 -0.145 -0.982 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.665 1.049 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.044 -1.607 1.046 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.397 -1.376 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.046 -1.887 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.174 -0.721 3.751 1.00 0.00 H new ATOM 1164 N GLY A 93 9.473 2.590 -0.253 1.00 0.00 N ATOM 1165 CA GLY A 93 9.008 3.948 -0.570 1.00 0.00 C ATOM 1166 C GLY A 93 8.116 4.538 0.531 1.00 0.00 C ATOM 1167 O GLY A 93 7.982 5.759 0.617 1.00 0.00 O ATOM 0 H GLY A 93 8.875 1.864 -0.647 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.870 4.597 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.455 3.929 -1.509 1.00 0.00 H new ATOM 1171 N LEU A 94 7.537 3.704 1.406 1.00 0.00 N ATOM 1172 CA LEU A 94 6.756 4.170 2.554 1.00 0.00 C ATOM 1173 C LEU A 94 7.646 4.801 3.625 1.00 0.00 C ATOM 1174 O LEU A 94 7.289 5.842 4.163 1.00 0.00 O ATOM 1175 CB LEU A 94 5.938 3.025 3.175 1.00 0.00 C ATOM 1176 CG LEU A 94 4.530 2.880 2.602 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.827 1.706 3.275 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.704 4.140 2.880 1.00 0.00 C ATOM 0 H LEU A 94 7.598 2.688 1.335 1.00 0.00 H new ATOM 0 HA LEU A 94 6.072 4.931 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.476 2.088 3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.866 3.187 4.251 1.00 0.00 H new ATOM 0 HG LEU A 94 4.614 2.721 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.822 1.601 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.390 0.791 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.766 1.885 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.704 4.018 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.633 4.298 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.187 5.001 2.418 1.00 0.00 H new ATOM 1190 N GLN A 95 8.812 4.222 3.929 1.00 0.00 N ATOM 1191 CA GLN A 95 9.693 4.738 4.985 1.00 0.00 C ATOM 1192 C GLN A 95 10.085 6.206 4.722 1.00 0.00 C ATOM 1193 O GLN A 95 10.125 7.019 5.644 1.00 0.00 O ATOM 1194 CB GLN A 95 10.926 3.827 5.115 1.00 0.00 C ATOM 1195 CG GLN A 95 11.543 3.875 6.527 1.00 0.00 C ATOM 1196 CD GLN A 95 11.319 2.594 7.332 1.00 0.00 C ATOM 1197 OE1 GLN A 95 10.616 2.568 8.333 1.00 0.00 O ATOM 1198 NE2 GLN A 95 11.908 1.483 6.936 1.00 0.00 N ATOM 0 H GLN A 95 9.170 3.392 3.457 1.00 0.00 H new ATOM 0 HA GLN A 95 9.156 4.728 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.643 2.801 4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.676 4.127 4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 95 12.614 4.059 6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.118 4.717 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.497 1.487 6.104 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.774 0.619 7.462 1.00 0.00 H new ATOM 1207 N LYS A 96 10.284 6.554 3.443 1.00 0.00 N ATOM 1208 CA LYS A 96 10.564 7.902 2.921 1.00 0.00 C ATOM 1209 C LYS A 96 9.450 8.924 3.195 1.00 0.00 C ATOM 1210 O LYS A 96 9.762 10.073 3.504 1.00 0.00 O ATOM 1211 CB LYS A 96 10.862 7.793 1.414 1.00 0.00 C ATOM 1212 CG LYS A 96 12.239 7.158 1.172 1.00 0.00 C ATOM 1213 CD LYS A 96 12.527 7.003 -0.328 1.00 0.00 C ATOM 1214 CE LYS A 96 13.854 6.273 -0.581 1.00 0.00 C ATOM 1215 NZ LYS A 96 13.795 4.841 -0.174 1.00 0.00 N ATOM 0 H LYS A 96 10.252 5.859 2.697 1.00 0.00 H new ATOM 0 HA LYS A 96 11.431 8.288 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.091 7.194 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.829 8.783 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.012 7.775 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.282 6.182 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.713 6.452 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.558 7.987 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.106 6.338 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.652 6.773 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 14.451 4.677 0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.827 4.605 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.065 4.240 -0.979 1.00 0.00 H new ATOM 1229 N LEU A 97 8.174 8.526 3.141 1.00 0.00 N ATOM 1230 CA LEU A 97 7.020 9.365 3.475 1.00 0.00 C ATOM 1231 C LEU A 97 7.100 9.843 4.936 1.00 0.00 C ATOM 1232 O LEU A 97 7.044 11.049 5.189 1.00 0.00 O ATOM 1233 CB LEU A 97 5.739 8.565 3.160 1.00 0.00 C ATOM 1234 CG LEU A 97 4.438 9.131 3.728 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.055 10.497 3.172 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.303 8.145 3.453 1.00 0.00 C ATOM 0 H LEU A 97 7.909 7.583 2.855 1.00 0.00 H new ATOM 0 HA LEU A 97 7.009 10.274 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.638 8.491 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.866 7.551 3.538 1.00 0.00 H new ATOM 0 HG LEU A 97 4.604 9.270 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.121 10.826 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.842 11.216 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.928 10.428 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.371 8.542 3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.201 7.999 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.527 7.191 3.930 1.00 0.00 H new ATOM 1248 N ILE A 98 7.268 8.918 5.892 1.00 0.00 N ATOM 1249 CA ILE A 98 7.450 9.291 7.306 1.00 0.00 C ATOM 1250 C ILE A 98 8.761 10.061 7.498 1.00 0.00 C ATOM 1251 O ILE A 98 8.750 11.105 8.139 1.00 0.00 O ATOM 1252 CB ILE A 98 7.385 8.092 8.281 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.169 7.173 8.024 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.305 8.598 9.733 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.517 5.950 7.182 1.00 0.00 C ATOM 0 H ILE A 98 7.282 7.913 5.716 1.00 0.00 H new ATOM 0 HA ILE A 98 6.606 9.934 7.555 1.00 0.00 H new ATOM 0 HB ILE A 98 8.293 7.512 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.759 6.845 8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.388 7.744 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.260 7.747 10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.188 9.196 9.959 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.411 9.209 9.857 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.624 5.343 7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.900 6.272 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.277 5.360 7.694 1.00 0.00 H new ATOM 1267 N ASN A 99 9.881 9.599 6.930 1.00 0.00 N ATOM 1268 CA ASN A 99 11.201 10.231 7.075 1.00 0.00 C ATOM 1269 C ASN A 99 11.208 11.731 6.700 1.00 0.00 C ATOM 1270 O ASN A 99 11.949 12.509 7.301 1.00 0.00 O ATOM 1271 CB ASN A 99 12.213 9.436 6.236 1.00 0.00 C ATOM 1272 CG ASN A 99 13.651 9.875 6.454 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.183 10.731 5.763 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.340 9.278 7.402 1.00 0.00 N ATOM 0 H ASN A 99 9.898 8.762 6.347 1.00 0.00 H new ATOM 0 HA ASN A 99 11.479 10.204 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.123 8.377 6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.964 9.544 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.316 9.530 7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.898 8.563 7.980 1.00 0.00 H new ATOM 1281 N ASP A 100 10.365 12.150 5.750 1.00 0.00 N ATOM 1282 CA ASP A 100 10.197 13.563 5.375 1.00 0.00 C ATOM 1283 C ASP A 100 9.474 14.389 6.464 1.00 0.00 C ATOM 1284 O ASP A 100 9.952 15.454 6.859 1.00 0.00 O ATOM 1285 CB ASP A 100 9.457 13.668 4.026 1.00 0.00 C ATOM 1286 CG ASP A 100 10.205 14.576 3.035 1.00 0.00 C ATOM 1287 OD1 ASP A 100 11.362 14.257 2.670 1.00 0.00 O ATOM 1288 OD2 ASP A 100 9.634 15.605 2.599 1.00 0.00 O ATOM 0 H ASP A 100 9.774 11.515 5.214 1.00 0.00 H new ATOM 0 HA ASP A 100 11.194 13.991 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.345 12.673 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.453 14.059 4.191 1.00 0.00 H new ATOM 1293 N SER A 101 8.341 13.885 6.972 1.00 0.00 N ATOM 1294 CA SER A 101 7.451 14.551 7.948 1.00 0.00 C ATOM 1295 C SER A 101 7.592 13.999 9.380 1.00 0.00 C ATOM 1296 O SER A 101 6.674 14.086 10.194 1.00 0.00 O ATOM 1297 CB SER A 101 5.992 14.508 7.454 1.00 0.00 C ATOM 1298 OG SER A 101 5.875 15.192 6.213 1.00 0.00 O ATOM 0 H SER A 101 8.000 12.961 6.706 1.00 0.00 H new ATOM 0 HA SER A 101 7.767 15.592 8.012 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.669 13.473 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.336 14.966 8.194 1.00 0.00 H new ATOM 0 HG SER A 101 4.945 15.157 5.907 1.00 0.00 H new ATOM 1304 N VAL A 102 8.746 13.425 9.725 1.00 0.00 N ATOM 1305 CA VAL A 102 9.015 12.751 11.008 1.00 0.00 C ATOM 1306 C VAL A 102 8.889 13.679 12.219 1.00 0.00 C ATOM 1307 O VAL A 102 8.286 13.312 13.227 1.00 0.00 O ATOM 1308 CB VAL A 102 10.395 12.056 10.973 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.540 13.011 10.609 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.745 11.393 12.311 1.00 0.00 C ATOM 0 H VAL A 102 9.552 13.413 9.100 1.00 0.00 H new ATOM 0 HA VAL A 102 8.241 11.994 11.134 1.00 0.00 H new ATOM 0 HB VAL A 102 10.299 11.299 10.195 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.482 12.463 10.601 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.359 13.436 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.593 13.813 11.345 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.723 10.918 12.237 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.767 12.148 13.097 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.994 10.641 12.552 1.00 0.00 H new ATOM 1320 N PHE A 103 9.399 14.907 12.118 1.00 0.00 N ATOM 1321 CA PHE A 103 9.271 15.933 13.160 1.00 0.00 C ATOM 1322 C PHE A 103 7.886 16.607 13.161 1.00 0.00 C ATOM 1323 O PHE A 103 7.601 17.439 14.026 1.00 0.00 O ATOM 1324 CB PHE A 103 10.399 16.964 12.993 1.00 0.00 C ATOM 1325 CG PHE A 103 11.790 16.363 12.840 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.250 15.381 13.741 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.612 16.761 11.768 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.513 14.788 13.559 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.879 16.174 11.591 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.327 15.184 12.483 1.00 0.00 C ATOM 0 H PHE A 103 9.920 15.224 11.300 1.00 0.00 H new ATOM 0 HA PHE A 103 9.364 15.447 14.131 1.00 0.00 H new ATOM 0 HB2 PHE A 103 10.185 17.579 12.119 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.397 17.628 13.857 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.631 15.083 14.574 1.00 0.00 H new ATOM 0 HD2 PHE A 103 12.269 17.519 11.079 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.857 14.029 14.246 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.507 16.484 10.769 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.296 14.728 12.342 1.00 0.00 H new ATOM 1340 N PHE A 104 7.022 16.246 12.205 1.00 0.00 N ATOM 1341 CA PHE A 104 5.641 16.738 12.099 1.00 0.00 C ATOM 1342 C PHE A 104 4.643 15.746 12.720 1.00 0.00 C ATOM 1343 O PHE A 104 3.797 16.141 13.528 1.00 0.00 O ATOM 1344 CB PHE A 104 5.314 17.055 10.628 1.00 0.00 C ATOM 1345 CG PHE A 104 3.837 17.062 10.302 1.00 0.00 C ATOM 1346 CD1 PHE A 104 3.068 18.218 10.528 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.224 15.888 9.826 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.683 18.191 10.297 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.843 15.860 9.588 1.00 0.00 C ATOM 1350 CZ PHE A 104 1.080 17.007 9.838 1.00 0.00 C ATOM 0 H PHE A 104 7.268 15.588 11.466 1.00 0.00 H new ATOM 0 HA PHE A 104 5.548 17.661 12.671 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.733 18.029 10.378 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.810 16.322 9.992 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.541 19.123 10.878 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.820 15.006 9.644 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.085 19.074 10.471 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.372 14.962 9.215 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.013 16.982 9.676 1.00 0.00 H new ATOM 1360 N LEU A 105 4.746 14.461 12.363 1.00 0.00 N ATOM 1361 CA LEU A 105 3.913 13.385 12.902 1.00 0.00 C ATOM 1362 C LEU A 105 4.067 13.249 14.425 1.00 0.00 C ATOM 1363 O LEU A 105 5.171 13.349 14.968 1.00 0.00 O ATOM 1364 CB LEU A 105 4.272 12.074 12.174 1.00 0.00 C ATOM 1365 CG LEU A 105 3.828 12.029 10.698 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.204 10.689 10.076 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.324 12.222 10.521 1.00 0.00 C ATOM 0 H LEU A 105 5.426 14.135 11.676 1.00 0.00 H new ATOM 0 HA LEU A 105 2.864 13.622 12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.351 11.929 12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.814 11.239 12.705 1.00 0.00 H new ATOM 0 HG LEU A 105 4.342 12.854 10.204 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.885 10.669 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.284 10.554 10.128 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.712 9.884 10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.074 12.180 9.461 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.791 11.432 11.051 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.032 13.191 10.925 1.00 0.00 H new ATOM 1379 N ALA A 106 2.947 13.008 15.117 1.00 0.00 N ATOM 1380 CA ALA A 106 2.929 12.747 16.557 1.00 0.00 C ATOM 1381 C ALA A 106 3.757 11.498 16.906 1.00 0.00 C ATOM 1382 O ALA A 106 3.838 10.567 16.102 1.00 0.00 O ATOM 1383 CB ALA A 106 1.470 12.574 17.006 1.00 0.00 C ATOM 0 H ALA A 106 2.022 12.989 14.688 1.00 0.00 H new ATOM 0 HA ALA A 106 3.380 13.589 17.082 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.440 12.379 18.078 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.912 13.484 16.787 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.022 11.736 16.472 1.00 0.00 H new ATOM 1389 N ALA A 107 4.288 11.422 18.131 1.00 0.00 N ATOM 1390 CA ALA A 107 5.045 10.264 18.630 1.00 0.00 C ATOM 1391 C ALA A 107 4.294 8.925 18.435 1.00 0.00 C ATOM 1392 O ALA A 107 4.909 7.893 18.156 1.00 0.00 O ATOM 1393 CB ALA A 107 5.389 10.525 20.101 1.00 0.00 C ATOM 0 H ALA A 107 4.204 12.173 18.816 1.00 0.00 H new ATOM 0 HA ALA A 107 5.960 10.155 18.047 1.00 0.00 H new ATOM 0 HB1 ALA A 107 5.952 9.680 20.498 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.990 11.431 20.179 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.470 10.650 20.673 1.00 0.00 H new ATOM 1399 N TYR A 108 2.960 8.961 18.539 1.00 0.00 N ATOM 1400 CA TYR A 108 2.048 7.845 18.293 1.00 0.00 C ATOM 1401 C TYR A 108 2.034 7.467 16.803 1.00 0.00 C ATOM 1402 O TYR A 108 2.435 6.368 16.431 1.00 0.00 O ATOM 1403 CB TYR A 108 0.650 8.244 18.786 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.469 7.295 18.395 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.584 6.038 19.021 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.403 7.675 17.409 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.637 5.169 18.671 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.455 6.809 17.055 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.579 5.554 17.690 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.597 4.712 17.359 1.00 0.00 O ATOM 0 H TYR A 108 2.467 9.812 18.810 1.00 0.00 H new ATOM 0 HA TYR A 108 2.384 6.963 18.838 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.674 8.323 19.873 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.415 9.236 18.399 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.135 5.740 19.770 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.311 8.635 16.923 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.724 4.207 19.153 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -3.167 7.104 16.298 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.155 5.129 16.670 1.00 0.00 H new ATOM 1420 N ASP A 109 1.595 8.392 15.944 1.00 0.00 N ATOM 1421 CA ASP A 109 1.424 8.212 14.493 1.00 0.00 C ATOM 1422 C ASP A 109 2.722 7.802 13.782 1.00 0.00 C ATOM 1423 O ASP A 109 2.711 7.029 12.823 1.00 0.00 O ATOM 1424 CB ASP A 109 0.900 9.524 13.892 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.385 9.345 13.062 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.488 8.367 12.286 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.296 10.196 13.191 1.00 0.00 O ATOM 0 H ASP A 109 1.337 9.330 16.252 1.00 0.00 H new ATOM 0 HA ASP A 109 0.714 7.399 14.343 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.708 10.233 14.697 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.674 9.961 13.261 1.00 0.00 H new ATOM 1432 N LEU A 110 3.854 8.302 14.283 1.00 0.00 N ATOM 1433 CA LEU A 110 5.190 7.956 13.820 1.00 0.00 C ATOM 1434 C LEU A 110 5.452 6.457 14.024 1.00 0.00 C ATOM 1435 O LEU A 110 5.662 5.717 13.058 1.00 0.00 O ATOM 1436 CB LEU A 110 6.208 8.836 14.577 1.00 0.00 C ATOM 1437 CG LEU A 110 7.560 9.018 13.882 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.239 7.735 13.413 1.00 0.00 C ATOM 1439 CD2 LEU A 110 7.377 9.959 12.697 1.00 0.00 C ATOM 0 H LEU A 110 3.861 8.979 15.046 1.00 0.00 H new ATOM 0 HA LEU A 110 5.290 8.147 12.752 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.765 9.819 14.737 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.380 8.400 15.561 1.00 0.00 H new ATOM 0 HG LEU A 110 8.229 9.429 14.638 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.188 7.979 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.420 7.085 14.269 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.595 7.222 12.699 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.333 10.098 12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.657 9.530 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.010 10.922 13.051 1.00 0.00 H new ATOM 1451 N ARG A 111 5.404 5.998 15.284 1.00 0.00 N ATOM 1452 CA ARG A 111 5.572 4.576 15.628 1.00 0.00 C ATOM 1453 C ARG A 111 4.534 3.673 14.962 1.00 0.00 C ATOM 1454 O ARG A 111 4.864 2.566 14.542 1.00 0.00 O ATOM 1455 CB ARG A 111 5.642 4.371 17.154 1.00 0.00 C ATOM 1456 CG ARG A 111 6.984 4.850 17.741 1.00 0.00 C ATOM 1457 CD ARG A 111 7.129 4.445 19.215 1.00 0.00 C ATOM 1458 NE ARG A 111 8.488 4.717 19.731 1.00 0.00 N ATOM 1459 CZ ARG A 111 9.004 4.304 20.878 1.00 0.00 C ATOM 1460 NH1 ARG A 111 8.313 3.617 21.743 1.00 0.00 N ATOM 1461 NH2 ARG A 111 10.242 4.574 21.185 1.00 0.00 N ATOM 0 H ARG A 111 5.248 6.600 16.092 1.00 0.00 H new ATOM 0 HA ARG A 111 6.532 4.265 15.216 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.824 4.912 17.630 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.502 3.315 17.385 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.806 4.428 17.164 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.055 5.934 17.652 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.398 4.988 19.814 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.905 3.384 19.324 1.00 0.00 H new ATOM 0 HE ARG A 111 9.094 5.285 19.138 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.340 3.380 21.546 1.00 0.00 H new ATOM 0 HH12 ARG A 111 8.745 3.316 22.617 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.823 5.108 20.539 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.630 4.251 22.071 1.00 0.00 H new ATOM 1475 N GLN A 112 3.319 4.180 14.785 1.00 0.00 N ATOM 1476 CA GLN A 112 2.232 3.498 14.070 1.00 0.00 C ATOM 1477 C GLN A 112 2.607 3.235 12.598 1.00 0.00 C ATOM 1478 O GLN A 112 2.506 2.096 12.136 1.00 0.00 O ATOM 1479 CB GLN A 112 0.936 4.321 14.166 1.00 0.00 C ATOM 1480 CG GLN A 112 0.236 4.237 15.534 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.786 3.103 15.601 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.609 2.102 16.284 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.890 3.208 14.888 1.00 0.00 N ATOM 0 H GLN A 112 3.050 5.097 15.141 1.00 0.00 H new ATOM 0 HA GLN A 112 2.068 2.530 14.544 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.165 5.365 13.951 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.245 3.981 13.395 1.00 0.00 H new ATOM 0 HG2 GLN A 112 0.985 4.093 16.313 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.263 5.184 15.742 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -2.050 4.036 14.315 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.584 2.461 14.910 1.00 0.00 H new ATOM 1492 N GLY A 113 3.077 4.254 11.864 1.00 0.00 N ATOM 1493 CA GLY A 113 3.516 4.124 10.473 1.00 0.00 C ATOM 1494 C GLY A 113 4.731 3.209 10.316 1.00 0.00 C ATOM 1495 O GLY A 113 4.709 2.290 9.499 1.00 0.00 O ATOM 0 H GLY A 113 3.163 5.203 12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.694 3.734 9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.758 5.111 10.080 1.00 0.00 H new ATOM 1499 N GLN A 114 5.786 3.414 11.111 1.00 0.00 N ATOM 1500 CA GLN A 114 6.979 2.557 11.052 1.00 0.00 C ATOM 1501 C GLN A 114 6.680 1.073 11.352 1.00 0.00 C ATOM 1502 O GLN A 114 7.221 0.203 10.667 1.00 0.00 O ATOM 1503 CB GLN A 114 8.090 3.097 11.965 1.00 0.00 C ATOM 1504 CG GLN A 114 8.862 4.257 11.307 1.00 0.00 C ATOM 1505 CD GLN A 114 10.123 4.662 12.080 1.00 0.00 C ATOM 1506 OE1 GLN A 114 10.684 3.924 12.881 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.643 5.850 11.855 1.00 0.00 N ATOM 0 H GLN A 114 5.840 4.163 11.801 1.00 0.00 H new ATOM 0 HA GLN A 114 7.330 2.591 10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.654 3.438 12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.783 2.292 12.209 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.142 3.969 10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.203 5.121 11.222 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.197 6.485 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.492 6.136 12.343 1.00 0.00 H new ATOM 1516 N GLU A 115 5.804 0.750 12.316 1.00 0.00 N ATOM 1517 CA GLU A 115 5.406 -0.647 12.566 1.00 0.00 C ATOM 1518 C GLU A 115 4.646 -1.299 11.406 1.00 0.00 C ATOM 1519 O GLU A 115 4.821 -2.486 11.133 1.00 0.00 O ATOM 1520 CB GLU A 115 4.598 -0.800 13.856 1.00 0.00 C ATOM 1521 CG GLU A 115 5.473 -0.883 15.116 1.00 0.00 C ATOM 1522 CD GLU A 115 4.746 -1.635 16.249 1.00 0.00 C ATOM 1523 OE1 GLU A 115 3.717 -1.137 16.767 1.00 0.00 O ATOM 1524 OE2 GLU A 115 5.200 -2.743 16.632 1.00 0.00 O ATOM 0 H GLU A 115 5.360 1.431 12.932 1.00 0.00 H new ATOM 0 HA GLU A 115 6.353 -1.177 12.671 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.916 0.045 13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.985 -1.699 13.788 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.408 -1.391 14.880 1.00 0.00 H new ATOM 0 HG3 GLU A 115 5.731 0.122 15.450 1.00 0.00 H new ATOM 1531 N ALA A 116 3.826 -0.526 10.704 1.00 0.00 N ATOM 1532 CA ALA A 116 3.045 -1.011 9.566 1.00 0.00 C ATOM 1533 C ALA A 116 3.929 -1.578 8.443 1.00 0.00 C ATOM 1534 O ALA A 116 3.628 -2.666 7.959 1.00 0.00 O ATOM 1535 CB ALA A 116 2.084 0.074 9.085 1.00 0.00 C ATOM 0 H ALA A 116 3.681 0.463 10.908 1.00 0.00 H new ATOM 0 HA ALA A 116 2.443 -1.856 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.509 -0.299 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.405 0.344 9.894 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.651 0.953 8.779 1.00 0.00 H new ATOM 1541 N LEU A 117 5.040 -0.927 8.062 1.00 0.00 N ATOM 1542 CA LEU A 117 5.975 -1.492 7.064 1.00 0.00 C ATOM 1543 C LEU A 117 6.451 -2.899 7.463 1.00 0.00 C ATOM 1544 O LEU A 117 6.465 -3.816 6.641 1.00 0.00 O ATOM 1545 CB LEU A 117 7.218 -0.609 6.883 1.00 0.00 C ATOM 1546 CG LEU A 117 7.031 0.610 5.973 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.236 1.712 6.663 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.404 1.157 5.623 1.00 0.00 C ATOM 0 H LEU A 117 5.315 -0.014 8.425 1.00 0.00 H new ATOM 0 HA LEU A 117 5.417 -1.540 6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.543 -0.262 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.023 -1.223 6.479 1.00 0.00 H new ATOM 0 HG LEU A 117 6.482 0.297 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.125 2.559 5.986 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.251 1.334 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.763 2.033 7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.295 2.027 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.923 1.448 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.981 0.390 5.107 1.00 0.00 H new ATOM 1560 N ALA A 118 6.834 -3.069 8.732 1.00 0.00 N ATOM 1561 CA ALA A 118 7.293 -4.349 9.282 1.00 0.00 C ATOM 1562 C ALA A 118 6.185 -5.416 9.256 1.00 0.00 C ATOM 1563 O ALA A 118 6.443 -6.595 9.003 1.00 0.00 O ATOM 1564 CB ALA A 118 7.762 -4.130 10.721 1.00 0.00 C ATOM 0 H ALA A 118 6.834 -2.312 9.415 1.00 0.00 H new ATOM 0 HA ALA A 118 8.113 -4.713 8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.106 -5.076 11.140 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.580 -3.410 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.935 -3.748 11.319 1.00 0.00 H new ATOM 1570 N ARG A 119 4.937 -4.990 9.485 1.00 0.00 N ATOM 1571 CA ARG A 119 3.746 -5.842 9.458 1.00 0.00 C ATOM 1572 C ARG A 119 3.556 -6.512 8.089 1.00 0.00 C ATOM 1573 O ARG A 119 3.271 -7.708 8.023 1.00 0.00 O ATOM 1574 CB ARG A 119 2.522 -5.004 9.875 1.00 0.00 C ATOM 1575 CG ARG A 119 1.421 -5.847 10.526 1.00 0.00 C ATOM 1576 CD ARG A 119 0.258 -4.949 10.974 1.00 0.00 C ATOM 1577 NE ARG A 119 -0.604 -5.628 11.962 1.00 0.00 N ATOM 1578 CZ ARG A 119 -1.525 -6.552 11.754 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -1.843 -6.963 10.559 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -2.150 -7.091 12.762 1.00 0.00 N ATOM 0 H ARG A 119 4.724 -4.016 9.700 1.00 0.00 H new ATOM 0 HA ARG A 119 3.870 -6.658 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.839 -4.228 10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.117 -4.499 8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 119 1.061 -6.595 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.825 -6.386 11.383 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.653 -4.030 11.406 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.337 -4.664 10.106 1.00 0.00 H new ATOM 0 HE ARG A 119 -0.471 -5.346 12.933 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.375 -6.569 9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -2.560 -7.679 10.440 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.929 -6.800 13.714 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.861 -7.804 12.599 1.00 0.00 H new ATOM 1594 N LEU A 120 3.761 -5.760 7.001 1.00 0.00 N ATOM 1595 CA LEU A 120 3.725 -6.262 5.617 1.00 0.00 C ATOM 1596 C LEU A 120 4.974 -7.102 5.277 1.00 0.00 C ATOM 1597 O LEU A 120 4.859 -8.153 4.643 1.00 0.00 O ATOM 1598 CB LEU A 120 3.572 -5.099 4.617 1.00 0.00 C ATOM 1599 CG LEU A 120 2.544 -4.014 4.985 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.479 -2.941 3.902 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.131 -4.534 5.261 1.00 0.00 C ATOM 0 H LEU A 120 3.961 -4.761 7.057 1.00 0.00 H new ATOM 0 HA LEU A 120 2.856 -6.914 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.544 -4.622 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.298 -5.515 3.648 1.00 0.00 H new ATOM 0 HG LEU A 120 2.908 -3.597 5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.746 -2.184 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.458 -2.475 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.186 -3.396 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.478 -3.698 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.749 -5.039 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.158 -5.236 6.095 1.00 0.00 H new ATOM 1613 N GLN A 121 6.162 -6.677 5.733 1.00 0.00 N ATOM 1614 CA GLN A 121 7.430 -7.416 5.585 1.00 0.00 C ATOM 1615 C GLN A 121 7.360 -8.856 6.123 1.00 0.00 C ATOM 1616 O GLN A 121 7.948 -9.760 5.530 1.00 0.00 O ATOM 1617 CB GLN A 121 8.576 -6.677 6.301 1.00 0.00 C ATOM 1618 CG GLN A 121 9.225 -5.572 5.463 1.00 0.00 C ATOM 1619 CD GLN A 121 10.485 -5.026 6.133 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.493 -5.704 6.273 1.00 0.00 O ATOM 1621 NE2 GLN A 121 10.494 -3.783 6.567 1.00 0.00 N ATOM 0 H GLN A 121 6.273 -5.791 6.226 1.00 0.00 H new ATOM 0 HA GLN A 121 7.619 -7.469 4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.193 -6.241 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.340 -7.401 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 121 9.476 -5.962 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.512 -4.762 5.313 1.00 0.00 H new ATOM 0 HE21 GLN A 121 9.664 -3.200 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.331 -3.403 7.010 1.00 0.00 H new ATOM 1630 N ALA A 122 6.633 -9.097 7.217 1.00 0.00 N ATOM 1631 CA ALA A 122 6.454 -10.441 7.768 1.00 0.00 C ATOM 1632 C ALA A 122 5.746 -11.389 6.784 1.00 0.00 C ATOM 1633 O ALA A 122 6.221 -12.504 6.554 1.00 0.00 O ATOM 1634 CB ALA A 122 5.704 -10.332 9.099 1.00 0.00 C ATOM 0 H ALA A 122 6.153 -8.367 7.744 1.00 0.00 H new ATOM 0 HA ALA A 122 7.435 -10.884 7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.564 -11.327 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.282 -9.722 9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.732 -9.869 8.932 1.00 0.00 H new ATOM 1640 N ALA A 123 4.650 -10.947 6.158 1.00 0.00 N ATOM 1641 CA ALA A 123 3.959 -11.719 5.126 1.00 0.00 C ATOM 1642 C ALA A 123 4.872 -11.974 3.908 1.00 0.00 C ATOM 1643 O ALA A 123 4.829 -13.059 3.328 1.00 0.00 O ATOM 1644 CB ALA A 123 2.659 -11.002 4.755 1.00 0.00 C ATOM 0 H ALA A 123 4.219 -10.044 6.354 1.00 0.00 H new ATOM 0 HA ALA A 123 3.704 -12.706 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.137 -11.571 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.025 -10.918 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.888 -10.006 4.377 1.00 0.00 H new ATOM 1650 N LEU A 124 5.736 -11.011 3.554 1.00 0.00 N ATOM 1651 CA LEU A 124 6.737 -11.138 2.492 1.00 0.00 C ATOM 1652 C LEU A 124 7.716 -12.281 2.819 1.00 0.00 C ATOM 1653 O LEU A 124 7.874 -13.198 2.014 1.00 0.00 O ATOM 1654 CB LEU A 124 7.443 -9.779 2.284 1.00 0.00 C ATOM 1655 CG LEU A 124 8.074 -9.527 0.904 1.00 0.00 C ATOM 1656 CD1 LEU A 124 9.174 -10.519 0.529 1.00 0.00 C ATOM 1657 CD2 LEU A 124 7.030 -9.497 -0.208 1.00 0.00 C ATOM 0 H LEU A 124 5.756 -10.100 4.012 1.00 0.00 H new ATOM 0 HA LEU A 124 6.257 -11.401 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.718 -8.987 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.225 -9.684 3.037 1.00 0.00 H new ATOM 0 HG LEU A 124 8.538 -8.545 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 124 9.566 -10.272 -0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 124 9.978 -10.465 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.764 -11.529 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.522 -9.316 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.508 -10.453 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.313 -8.700 -0.012 1.00 0.00 H new ATOM 1669 N ALA A 125 8.328 -12.272 4.012 1.00 0.00 N ATOM 1670 CA ALA A 125 9.239 -13.330 4.455 1.00 0.00 C ATOM 1671 C ALA A 125 8.560 -14.713 4.508 1.00 0.00 C ATOM 1672 O ALA A 125 9.121 -15.695 4.021 1.00 0.00 O ATOM 1673 CB ALA A 125 9.833 -12.933 5.812 1.00 0.00 C ATOM 0 H ALA A 125 8.203 -11.527 4.697 1.00 0.00 H new ATOM 0 HA ALA A 125 10.040 -13.430 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.514 -13.713 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.378 -11.995 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 125 9.030 -12.809 6.538 1.00 0.00 H new ATOM 1679 N GLU A 126 7.340 -14.802 5.050 1.00 0.00 N ATOM 1680 CA GLU A 126 6.565 -16.051 5.085 1.00 0.00 C ATOM 1681 C GLU A 126 6.272 -16.606 3.679 1.00 0.00 C ATOM 1682 O GLU A 126 6.494 -17.794 3.436 1.00 0.00 O ATOM 1683 CB GLU A 126 5.263 -15.873 5.882 1.00 0.00 C ATOM 1684 CG GLU A 126 5.529 -15.785 7.395 1.00 0.00 C ATOM 1685 CD GLU A 126 4.246 -15.701 8.253 1.00 0.00 C ATOM 1686 OE1 GLU A 126 3.124 -15.965 7.754 1.00 0.00 O ATOM 1687 OE2 GLU A 126 4.359 -15.398 9.467 1.00 0.00 O ATOM 0 H GLU A 126 6.860 -14.010 5.478 1.00 0.00 H new ATOM 0 HA GLU A 126 7.186 -16.787 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.753 -14.969 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.594 -16.709 5.678 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.104 -16.658 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.146 -14.909 7.595 1.00 0.00 H new ATOM 1694 N ARG A 127 5.824 -15.761 2.739 1.00 0.00 N ATOM 1695 CA ARG A 127 5.588 -16.138 1.331 1.00 0.00 C ATOM 1696 C ARG A 127 6.878 -16.517 0.600 1.00 0.00 C ATOM 1697 O ARG A 127 6.878 -17.495 -0.151 1.00 0.00 O ATOM 1698 CB ARG A 127 4.832 -15.010 0.600 1.00 0.00 C ATOM 1699 CG ARG A 127 3.354 -14.940 1.026 1.00 0.00 C ATOM 1700 CD ARG A 127 2.518 -16.036 0.348 1.00 0.00 C ATOM 1701 NE ARG A 127 1.235 -16.257 1.043 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.438 -17.304 0.919 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.677 -18.260 0.064 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -0.625 -17.420 1.663 1.00 0.00 N ATOM 0 H ARG A 127 5.612 -14.783 2.934 1.00 0.00 H new ATOM 0 HA ARG A 127 4.967 -17.034 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.315 -14.055 0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.892 -15.171 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.281 -15.044 2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.947 -13.961 0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.327 -15.758 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.086 -16.966 0.329 1.00 0.00 H new ATOM 0 HE ARG A 127 0.932 -15.526 1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 127 1.501 -18.214 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.040 -19.054 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -0.849 -16.699 2.349 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.234 -18.232 1.560 1.00 0.00 H new ATOM 1718 N ARG A 128 7.989 -15.815 0.850 1.00 0.00 N ATOM 1719 CA ARG A 128 9.308 -16.104 0.254 1.00 0.00 C ATOM 1720 C ARG A 128 9.756 -17.550 0.509 1.00 0.00 C ATOM 1721 O ARG A 128 10.235 -18.183 -0.428 1.00 0.00 O ATOM 1722 CB ARG A 128 10.360 -15.096 0.762 1.00 0.00 C ATOM 1723 CG ARG A 128 11.699 -15.248 0.023 1.00 0.00 C ATOM 1724 CD ARG A 128 12.681 -14.143 0.430 1.00 0.00 C ATOM 1725 NE ARG A 128 13.986 -14.312 -0.239 1.00 0.00 N ATOM 1726 CZ ARG A 128 15.048 -13.533 -0.118 1.00 0.00 C ATOM 1727 NH1 ARG A 128 15.052 -12.487 0.660 1.00 0.00 N ATOM 1728 NH2 ARG A 128 16.140 -13.790 -0.780 1.00 0.00 N ATOM 0 H ARG A 128 8.002 -15.015 1.483 1.00 0.00 H new ATOM 0 HA ARG A 128 9.212 -15.992 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.985 -14.081 0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.516 -15.241 1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 128 12.132 -16.224 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.530 -15.211 -1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.262 -13.169 0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.820 -14.157 1.511 1.00 0.00 H new ATOM 0 HE ARG A 128 14.079 -15.115 -0.861 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.219 -12.249 1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.888 -11.907 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.182 -14.599 -1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.953 -13.182 -0.679 1.00 0.00 H new