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= 0.104 X(o=0.1,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.0263 X(o=-0.026,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= -0.0142 X(o=-0.014,f=-0.43) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) 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= 0.0103 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 X(o=0,f=-0.14) USER MOD Single : A 121 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -4.329 17.676 9.886 1.00 0.00 N ATOM 575 CA ASN A 56 -3.138 17.617 9.028 1.00 0.00 C ATOM 576 C ASN A 56 -2.493 16.215 9.070 1.00 0.00 C ATOM 577 O ASN A 56 -2.020 15.726 8.044 1.00 0.00 O ATOM 578 CB ASN A 56 -2.134 18.714 9.436 1.00 0.00 C ATOM 579 CG ASN A 56 -2.472 20.116 8.946 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.633 20.815 8.395 1.00 0.00 O ATOM 581 ND2 ASN A 56 -3.682 20.600 9.124 1.00 0.00 N ATOM 0 HA ASN A 56 -3.442 17.801 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.063 18.734 10.524 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.149 18.442 9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.906 21.542 8.805 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.396 20.033 9.581 1.00 0.00 H new ATOM 588 N SER A 57 -2.516 15.529 10.224 1.00 0.00 N ATOM 589 CA SER A 57 -2.022 14.143 10.349 1.00 0.00 C ATOM 590 C SER A 57 -2.865 13.155 9.534 1.00 0.00 C ATOM 591 O SER A 57 -2.329 12.183 9.001 1.00 0.00 O ATOM 592 CB SER A 57 -1.979 13.685 11.813 1.00 0.00 C ATOM 593 OG SER A 57 -1.005 14.413 12.545 1.00 0.00 O ATOM 0 H SER A 57 -2.876 15.916 11.096 1.00 0.00 H new ATOM 0 HA SER A 57 -1.008 14.148 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.959 13.822 12.269 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.752 12.620 11.858 1.00 0.00 H new ATOM 0 HG SER A 57 -0.997 14.105 13.475 1.00 0.00 H new ATOM 599 N HIS A 58 -4.166 13.425 9.353 1.00 0.00 N ATOM 600 CA HIS A 58 -5.048 12.609 8.506 1.00 0.00 C ATOM 601 C HIS A 58 -4.580 12.557 7.044 1.00 0.00 C ATOM 602 O HIS A 58 -4.768 11.529 6.400 1.00 0.00 O ATOM 603 CB HIS A 58 -6.505 13.090 8.632 1.00 0.00 C ATOM 604 CG HIS A 58 -7.528 12.144 8.045 1.00 0.00 C ATOM 605 ND1 HIS A 58 -8.603 12.511 7.256 1.00 0.00 N ATOM 606 CD2 HIS A 58 -7.587 10.791 8.242 1.00 0.00 C ATOM 607 CE1 HIS A 58 -9.303 11.392 6.973 1.00 0.00 C ATOM 608 NE2 HIS A 58 -8.702 10.335 7.557 1.00 0.00 N ATOM 0 H HIS A 58 -4.637 14.217 9.791 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.997 11.582 8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.734 13.245 9.686 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.599 14.058 8.140 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -6.897 10.194 8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.201 11.350 6.374 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.015 9.366 7.504 1.00 0.00 H new ATOM 617 N PHE A 59 -3.915 13.603 6.532 1.00 0.00 N ATOM 618 CA PHE A 59 -3.332 13.613 5.180 1.00 0.00 C ATOM 619 C PHE A 59 -2.303 12.487 5.029 1.00 0.00 C ATOM 620 O PHE A 59 -2.404 11.675 4.110 1.00 0.00 O ATOM 621 CB PHE A 59 -2.683 14.973 4.875 1.00 0.00 C ATOM 622 CG PHE A 59 -2.351 15.196 3.407 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.294 14.492 2.789 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.097 16.120 2.652 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.002 14.697 1.429 1.00 0.00 C ATOM 626 CE2 PHE A 59 -2.797 16.334 1.293 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.752 15.620 0.680 1.00 0.00 C ATOM 0 H PHE A 59 -3.765 14.471 7.046 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.136 13.448 4.463 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.354 15.765 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.768 15.064 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.707 13.792 3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.903 16.668 3.117 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.201 14.145 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.371 17.048 0.720 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.526 15.781 -0.364 1.00 0.00 H new ATOM 637 N PHE A 60 -1.333 12.417 5.951 1.00 0.00 N ATOM 638 CA PHE A 60 -0.338 11.345 6.010 1.00 0.00 C ATOM 639 C PHE A 60 -1.005 9.972 6.098 1.00 0.00 C ATOM 640 O PHE A 60 -0.735 9.115 5.259 1.00 0.00 O ATOM 641 CB PHE A 60 0.603 11.538 7.206 1.00 0.00 C ATOM 642 CG PHE A 60 1.426 10.295 7.512 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.296 9.775 6.536 1.00 0.00 C ATOM 644 CD2 PHE A 60 1.227 9.586 8.714 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.934 8.543 6.754 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.887 8.365 8.939 1.00 0.00 C ATOM 647 CZ PHE A 60 2.731 7.837 7.948 1.00 0.00 C ATOM 0 H PHE A 60 -1.219 13.115 6.686 1.00 0.00 H new ATOM 0 HA PHE A 60 0.243 11.391 5.089 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.274 12.373 7.004 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.017 11.806 8.085 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.473 10.322 5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.563 9.983 9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.586 8.136 5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.746 7.835 9.870 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.223 6.889 8.106 1.00 0.00 H new ATOM 657 N VAL A 61 -1.889 9.763 7.084 1.00 0.00 N ATOM 658 CA VAL A 61 -2.584 8.477 7.253 1.00 0.00 C ATOM 659 C VAL A 61 -3.329 8.078 5.975 1.00 0.00 C ATOM 660 O VAL A 61 -3.274 6.915 5.587 1.00 0.00 O ATOM 661 CB VAL A 61 -3.515 8.475 8.484 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.193 7.112 8.679 1.00 0.00 C ATOM 663 CG2 VAL A 61 -2.728 8.793 9.765 1.00 0.00 C ATOM 0 H VAL A 61 -2.140 10.468 7.777 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.822 7.721 7.440 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.271 9.238 8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.840 7.150 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.788 6.872 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.432 6.345 8.823 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.405 8.786 10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.952 8.042 9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.268 9.777 9.675 1.00 0.00 H new ATOM 673 N ALA A 62 -3.954 9.027 5.272 1.00 0.00 N ATOM 674 CA ALA A 62 -4.646 8.791 4.002 1.00 0.00 C ATOM 675 C ALA A 62 -3.692 8.354 2.871 1.00 0.00 C ATOM 676 O ALA A 62 -3.892 7.298 2.264 1.00 0.00 O ATOM 677 CB ALA A 62 -5.438 10.048 3.614 1.00 0.00 C ATOM 0 H ALA A 62 -3.994 10.000 5.576 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.334 7.958 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.954 9.876 2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.169 10.272 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.754 10.890 3.506 1.00 0.00 H new ATOM 683 N THR A 63 -2.655 9.151 2.579 1.00 0.00 N ATOM 684 CA THR A 63 -1.676 8.843 1.520 1.00 0.00 C ATOM 685 C THR A 63 -0.905 7.547 1.814 1.00 0.00 C ATOM 686 O THR A 63 -0.714 6.723 0.916 1.00 0.00 O ATOM 687 CB THR A 63 -0.758 10.048 1.228 1.00 0.00 C ATOM 688 OG1 THR A 63 -0.043 9.850 0.026 1.00 0.00 O ATOM 689 CG2 THR A 63 0.249 10.406 2.309 1.00 0.00 C ATOM 0 H THR A 63 -2.469 10.027 3.068 1.00 0.00 H new ATOM 0 HA THR A 63 -2.229 8.656 0.600 1.00 0.00 H new ATOM 0 HB THR A 63 -1.456 10.883 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.533 10.625 -0.144 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.835 11.267 1.989 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.278 10.648 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.913 9.559 2.482 1.00 0.00 H new ATOM 697 N PHE A 64 -0.527 7.312 3.077 1.00 0.00 N ATOM 698 CA PHE A 64 0.118 6.080 3.525 1.00 0.00 C ATOM 699 C PHE A 64 -0.833 4.882 3.379 1.00 0.00 C ATOM 700 O PHE A 64 -0.436 3.867 2.816 1.00 0.00 O ATOM 701 CB PHE A 64 0.628 6.243 4.969 1.00 0.00 C ATOM 702 CG PHE A 64 1.482 5.085 5.453 1.00 0.00 C ATOM 703 CD1 PHE A 64 0.863 3.924 5.953 1.00 0.00 C ATOM 704 CD2 PHE A 64 2.890 5.142 5.374 1.00 0.00 C ATOM 705 CE1 PHE A 64 1.636 2.809 6.316 1.00 0.00 C ATOM 706 CE2 PHE A 64 3.661 4.019 5.734 1.00 0.00 C ATOM 707 CZ PHE A 64 3.034 2.853 6.200 1.00 0.00 C ATOM 0 H PHE A 64 -0.666 7.989 3.827 1.00 0.00 H new ATOM 0 HA PHE A 64 0.981 5.879 2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.208 7.163 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.227 6.355 5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.211 3.890 6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.376 6.046 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.154 1.916 6.685 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.737 4.056 5.651 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.626 1.991 6.469 1.00 0.00 H new ATOM 717 N ALA A 65 -2.094 4.991 3.822 1.00 0.00 N ATOM 718 CA ALA A 65 -3.110 3.941 3.694 1.00 0.00 C ATOM 719 C ALA A 65 -3.334 3.493 2.242 1.00 0.00 C ATOM 720 O ALA A 65 -3.252 2.297 1.961 1.00 0.00 O ATOM 721 CB ALA A 65 -4.425 4.387 4.341 1.00 0.00 C ATOM 0 H ALA A 65 -2.441 5.829 4.288 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.730 3.068 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.168 3.596 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.259 4.592 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.785 5.290 3.848 1.00 0.00 H new ATOM 727 N ARG A 66 -3.595 4.423 1.311 1.00 0.00 N ATOM 728 CA ARG A 66 -3.805 4.092 -0.113 1.00 0.00 C ATOM 729 C ARG A 66 -2.619 3.343 -0.727 1.00 0.00 C ATOM 730 O ARG A 66 -2.821 2.367 -1.449 1.00 0.00 O ATOM 731 CB ARG A 66 -4.159 5.353 -0.917 1.00 0.00 C ATOM 732 CG ARG A 66 -5.648 5.699 -0.760 1.00 0.00 C ATOM 733 CD ARG A 66 -6.046 6.868 -1.672 1.00 0.00 C ATOM 734 NE ARG A 66 -7.507 7.089 -1.672 1.00 0.00 N ATOM 735 CZ ARG A 66 -8.423 6.451 -2.383 1.00 0.00 C ATOM 736 NH1 ARG A 66 -8.123 5.480 -3.201 1.00 0.00 N ATOM 737 NH2 ARG A 66 -9.680 6.779 -2.286 1.00 0.00 N ATOM 0 H ARG A 66 -3.667 5.419 1.518 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.651 3.407 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.549 6.190 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.926 5.196 -1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.254 4.825 -0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.856 5.957 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.541 7.776 -1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.708 6.667 -2.689 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.851 7.821 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.152 5.187 -3.311 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.859 5.014 -3.731 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.964 7.532 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.380 6.283 -2.837 1.00 0.00 H new ATOM 751 N GLU A 67 -1.392 3.752 -0.412 1.00 0.00 N ATOM 752 CA GLU A 67 -0.172 3.066 -0.840 1.00 0.00 C ATOM 753 C GLU A 67 -0.017 1.690 -0.166 1.00 0.00 C ATOM 754 O GLU A 67 0.090 0.674 -0.854 1.00 0.00 O ATOM 755 CB GLU A 67 1.041 3.966 -0.554 1.00 0.00 C ATOM 756 CG GLU A 67 1.206 5.116 -1.557 1.00 0.00 C ATOM 757 CD GLU A 67 1.520 4.605 -2.979 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.683 4.220 -3.249 1.00 0.00 O ATOM 759 OE2 GLU A 67 0.606 4.589 -3.838 1.00 0.00 O ATOM 0 H GLU A 67 -1.213 4.581 0.155 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.238 2.878 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.945 4.381 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.945 3.356 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.293 5.711 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.008 5.775 -1.224 1.00 0.00 H new ATOM 766 N ARG A 68 -0.023 1.630 1.173 1.00 0.00 N ATOM 767 CA ARG A 68 0.231 0.408 1.957 1.00 0.00 C ATOM 768 C ARG A 68 -0.785 -0.700 1.659 1.00 0.00 C ATOM 769 O ARG A 68 -0.412 -1.867 1.571 1.00 0.00 O ATOM 770 CB ARG A 68 0.383 0.768 3.454 1.00 0.00 C ATOM 771 CG ARG A 68 -0.908 1.007 4.258 1.00 0.00 C ATOM 772 CD ARG A 68 -1.282 -0.108 5.256 1.00 0.00 C ATOM 773 NE ARG A 68 -0.986 0.247 6.661 1.00 0.00 N ATOM 774 CZ ARG A 68 -1.618 1.131 7.422 1.00 0.00 C ATOM 775 NH1 ARG A 68 -2.628 1.829 6.987 1.00 0.00 N ATOM 776 NH2 ARG A 68 -1.249 1.342 8.653 1.00 0.00 N ATOM 0 H ARG A 68 -0.208 2.446 1.756 1.00 0.00 H new ATOM 0 HA ARG A 68 1.180 -0.028 1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.939 -0.035 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.995 1.667 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.806 1.943 4.807 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.733 1.136 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.345 -0.332 5.160 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.740 -1.017 4.995 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.205 -0.245 7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.959 1.705 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.088 2.499 7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.463 0.824 9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.746 2.025 9.224 1.00 0.00 H new ATOM 790 N ALA A 69 -2.042 -0.328 1.415 1.00 0.00 N ATOM 791 CA ALA A 69 -3.123 -1.229 1.010 1.00 0.00 C ATOM 792 C ALA A 69 -2.889 -1.843 -0.384 1.00 0.00 C ATOM 793 O ALA A 69 -3.053 -3.051 -0.563 1.00 0.00 O ATOM 794 CB ALA A 69 -4.448 -0.458 1.059 1.00 0.00 C ATOM 0 H ALA A 69 -2.347 0.642 1.497 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.154 -2.068 1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.263 -1.116 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.624 -0.101 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.400 0.392 0.378 1.00 0.00 H new ATOM 800 N ALA A 70 -2.473 -1.035 -1.368 1.00 0.00 N ATOM 801 CA ALA A 70 -2.119 -1.512 -2.706 1.00 0.00 C ATOM 802 C ALA A 70 -0.948 -2.514 -2.675 1.00 0.00 C ATOM 803 O ALA A 70 -1.014 -3.558 -3.329 1.00 0.00 O ATOM 804 CB ALA A 70 -1.819 -0.310 -3.610 1.00 0.00 C ATOM 0 H ALA A 70 -2.373 -0.026 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.968 -2.059 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.555 -0.662 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.701 0.328 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.988 0.259 -3.194 1.00 0.00 H new ATOM 810 N VAL A 71 0.103 -2.239 -1.889 1.00 0.00 N ATOM 811 CA VAL A 71 1.223 -3.180 -1.704 1.00 0.00 C ATOM 812 C VAL A 71 0.756 -4.476 -1.030 1.00 0.00 C ATOM 813 O VAL A 71 1.154 -5.554 -1.458 1.00 0.00 O ATOM 814 CB VAL A 71 2.405 -2.547 -0.941 1.00 0.00 C ATOM 815 CG1 VAL A 71 3.600 -3.506 -0.873 1.00 0.00 C ATOM 816 CG2 VAL A 71 2.901 -1.280 -1.649 1.00 0.00 C ATOM 0 H VAL A 71 0.203 -1.368 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 71 1.590 -3.430 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 71 2.036 -2.317 0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.417 -3.031 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.304 -4.420 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.929 -3.749 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.734 -0.854 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.231 -1.532 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.091 -0.553 -1.703 1.00 0.00 H new ATOM 826 N GLU A 72 -0.134 -4.409 -0.033 1.00 0.00 N ATOM 827 CA GLU A 72 -0.714 -5.589 0.633 1.00 0.00 C ATOM 828 C GLU A 72 -1.447 -6.532 -0.347 1.00 0.00 C ATOM 829 O GLU A 72 -1.392 -7.752 -0.196 1.00 0.00 O ATOM 830 CB GLU A 72 -1.641 -5.133 1.776 1.00 0.00 C ATOM 831 CG GLU A 72 -1.718 -6.116 2.955 1.00 0.00 C ATOM 832 CD GLU A 72 -2.649 -7.327 2.730 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.821 -7.135 2.322 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.240 -8.471 3.042 1.00 0.00 O ATOM 0 H GLU A 72 -0.478 -3.525 0.341 1.00 0.00 H new ATOM 0 HA GLU A 72 0.107 -6.174 1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.296 -4.167 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.644 -4.982 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.714 -6.483 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.056 -5.575 3.839 1.00 0.00 H new ATOM 841 N GLU A 73 -2.081 -5.990 -1.394 1.00 0.00 N ATOM 842 CA GLU A 73 -2.724 -6.780 -2.455 1.00 0.00 C ATOM 843 C GLU A 73 -1.716 -7.440 -3.420 1.00 0.00 C ATOM 844 O GLU A 73 -1.911 -8.584 -3.838 1.00 0.00 O ATOM 845 CB GLU A 73 -3.727 -5.898 -3.218 1.00 0.00 C ATOM 846 CG GLU A 73 -4.746 -6.746 -3.995 1.00 0.00 C ATOM 847 CD GLU A 73 -5.764 -5.893 -4.784 1.00 0.00 C ATOM 848 OE1 GLU A 73 -6.256 -4.862 -4.265 1.00 0.00 O ATOM 849 OE2 GLU A 73 -6.105 -6.270 -5.933 1.00 0.00 O ATOM 0 H GLU A 73 -2.164 -4.983 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.252 -7.603 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.252 -5.250 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.190 -5.249 -3.910 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.214 -7.400 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.282 -7.389 -3.297 1.00 0.00 H new ATOM 856 N LEU A 74 -0.606 -6.762 -3.742 1.00 0.00 N ATOM 857 CA LEU A 74 0.484 -7.304 -4.571 1.00 0.00 C ATOM 858 C LEU A 74 1.110 -8.579 -3.963 1.00 0.00 C ATOM 859 O LEU A 74 1.584 -9.442 -4.703 1.00 0.00 O ATOM 860 CB LEU A 74 1.517 -6.185 -4.819 1.00 0.00 C ATOM 861 CG LEU A 74 2.775 -6.571 -5.623 1.00 0.00 C ATOM 862 CD1 LEU A 74 2.484 -7.126 -7.016 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.650 -5.328 -5.807 1.00 0.00 C ATOM 0 H LEU A 74 -0.436 -5.806 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 74 0.081 -7.627 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.017 -5.369 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.837 -5.796 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 74 3.264 -7.357 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.422 -7.372 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.873 -8.024 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.949 -6.378 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.542 -5.592 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.089 -4.565 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.942 -4.941 -4.831 1.00 0.00 H new ATOM 875 N LEU A 75 1.053 -8.745 -2.636 1.00 0.00 N ATOM 876 CA LEU A 75 1.537 -9.950 -1.948 1.00 0.00 C ATOM 877 C LEU A 75 0.759 -11.223 -2.348 1.00 0.00 C ATOM 878 O LEU A 75 1.353 -12.297 -2.434 1.00 0.00 O ATOM 879 CB LEU A 75 1.510 -9.770 -0.417 1.00 0.00 C ATOM 880 CG LEU A 75 1.954 -8.406 0.152 1.00 0.00 C ATOM 881 CD1 LEU A 75 2.053 -8.501 1.672 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.285 -7.888 -0.394 1.00 0.00 C ATOM 0 H LEU A 75 0.667 -8.043 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 75 2.569 -10.087 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.493 -9.961 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.145 -10.540 0.023 1.00 0.00 H new ATOM 0 HG LEU A 75 1.193 -7.693 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.367 -7.539 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.080 -8.768 2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.783 -9.264 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.515 -6.925 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.076 -8.600 -0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.213 -7.769 -1.475 1.00 0.00 H new ATOM 894 N GLU A 76 -0.549 -11.130 -2.626 1.00 0.00 N ATOM 895 CA GLU A 76 -1.363 -12.253 -3.117 1.00 0.00 C ATOM 896 C GLU A 76 -1.070 -12.598 -4.590 1.00 0.00 C ATOM 897 O GLU A 76 -1.176 -13.759 -4.992 1.00 0.00 O ATOM 898 CB GLU A 76 -2.858 -11.919 -2.967 1.00 0.00 C ATOM 899 CG GLU A 76 -3.412 -12.271 -1.582 1.00 0.00 C ATOM 900 CD GLU A 76 -4.955 -12.235 -1.583 1.00 0.00 C ATOM 901 OE1 GLU A 76 -5.547 -11.129 -1.554 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.589 -13.319 -1.610 1.00 0.00 O ATOM 0 H GLU A 76 -1.078 -10.265 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.101 -13.122 -2.514 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.008 -10.856 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.424 -12.458 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.067 -13.263 -1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.028 -11.568 -0.842 1.00 0.00 H new ATOM 909 N ARG A 77 -0.675 -11.601 -5.394 1.00 0.00 N ATOM 910 CA ARG A 77 -0.301 -11.738 -6.816 1.00 0.00 C ATOM 911 C ARG A 77 1.131 -12.251 -7.035 1.00 0.00 C ATOM 912 O ARG A 77 1.525 -12.484 -8.179 1.00 0.00 O ATOM 913 CB ARG A 77 -0.527 -10.384 -7.520 1.00 0.00 C ATOM 914 CG ARG A 77 -2.020 -10.041 -7.692 1.00 0.00 C ATOM 915 CD ARG A 77 -2.693 -10.805 -8.847 1.00 0.00 C ATOM 916 NE ARG A 77 -2.166 -10.401 -10.169 1.00 0.00 N ATOM 917 CZ ARG A 77 -2.442 -9.299 -10.847 1.00 0.00 C ATOM 918 NH1 ARG A 77 -3.296 -8.414 -10.418 1.00 0.00 N ATOM 919 NH2 ARG A 77 -1.852 -9.059 -11.984 1.00 0.00 N ATOM 0 H ARG A 77 -0.603 -10.639 -5.063 1.00 0.00 H new ATOM 0 HA ARG A 77 -0.941 -12.504 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.042 -9.595 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.049 -10.405 -8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.546 -10.264 -6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.121 -8.970 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.541 -11.875 -8.709 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.768 -10.630 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.513 -11.049 -10.610 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.778 -8.559 -9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.483 -7.576 -10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.173 -9.723 -12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.069 -8.207 -12.502 1.00 0.00 H new ATOM 933 N ALA A 78 1.909 -12.453 -5.970 1.00 0.00 N ATOM 934 CA ALA A 78 3.256 -13.022 -6.015 1.00 0.00 C ATOM 935 C ALA A 78 3.253 -14.533 -6.355 1.00 0.00 C ATOM 936 O ALA A 78 3.362 -15.389 -5.478 1.00 0.00 O ATOM 937 CB ALA A 78 3.979 -12.699 -4.698 1.00 0.00 C ATOM 0 H ALA A 78 1.609 -12.218 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 78 3.810 -12.561 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.984 -13.119 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.041 -11.618 -4.572 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.426 -13.130 -3.864 1.00 0.00 H new ATOM 943 N GLU A 79 3.119 -14.873 -7.641 1.00 0.00 N ATOM 944 CA GLU A 79 3.201 -16.253 -8.160 1.00 0.00 C ATOM 945 C GLU A 79 4.655 -16.758 -8.267 1.00 0.00 C ATOM 946 O GLU A 79 4.894 -17.962 -8.374 1.00 0.00 O ATOM 947 CB GLU A 79 2.553 -16.332 -9.554 1.00 0.00 C ATOM 948 CG GLU A 79 1.026 -16.180 -9.514 1.00 0.00 C ATOM 949 CD GLU A 79 0.354 -16.430 -10.885 1.00 0.00 C ATOM 950 OE1 GLU A 79 1.020 -16.344 -11.947 1.00 0.00 O ATOM 951 OE2 GLU A 79 -0.870 -16.710 -10.910 1.00 0.00 O ATOM 0 H GLU A 79 2.946 -14.183 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 79 2.670 -16.887 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.974 -15.553 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.806 -17.288 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.617 -16.877 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.776 -15.176 -9.171 1.00 0.00 H new ATOM 958 N SER A 80 5.628 -15.841 -8.239 1.00 0.00 N ATOM 959 CA SER A 80 7.071 -16.097 -8.274 1.00 0.00 C ATOM 960 C SER A 80 7.855 -15.012 -7.523 1.00 0.00 C ATOM 961 O SER A 80 7.327 -13.937 -7.211 1.00 0.00 O ATOM 962 CB SER A 80 7.560 -16.206 -9.727 1.00 0.00 C ATOM 963 OG SER A 80 7.269 -15.030 -10.465 1.00 0.00 O ATOM 0 H SER A 80 5.417 -14.844 -8.188 1.00 0.00 H new ATOM 0 HA SER A 80 7.253 -17.045 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.635 -16.386 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.088 -17.064 -10.207 1.00 0.00 H new ATOM 0 HG SER A 80 7.594 -15.131 -11.384 1.00 0.00 H new ATOM 969 N VAL A 81 9.140 -15.278 -7.257 1.00 0.00 N ATOM 970 CA VAL A 81 10.066 -14.351 -6.575 1.00 0.00 C ATOM 971 C VAL A 81 10.204 -13.014 -7.327 1.00 0.00 C ATOM 972 O VAL A 81 10.370 -11.972 -6.700 1.00 0.00 O ATOM 973 CB VAL A 81 11.444 -15.013 -6.356 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.415 -14.114 -5.584 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.316 -16.318 -5.552 1.00 0.00 C ATOM 0 H VAL A 81 9.579 -16.162 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 81 9.637 -14.124 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 81 11.831 -15.202 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.367 -14.630 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.573 -13.189 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.996 -13.883 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.303 -16.759 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.876 -16.104 -4.578 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.678 -17.017 -6.092 1.00 0.00 H new ATOM 985 N GLU A 82 10.050 -13.013 -8.656 1.00 0.00 N ATOM 986 CA GLU A 82 10.088 -11.814 -9.514 1.00 0.00 C ATOM 987 C GLU A 82 9.133 -10.701 -9.042 1.00 0.00 C ATOM 988 O GLU A 82 9.527 -9.534 -8.966 1.00 0.00 O ATOM 989 CB GLU A 82 9.744 -12.203 -10.964 1.00 0.00 C ATOM 990 CG GLU A 82 10.841 -13.008 -11.678 1.00 0.00 C ATOM 991 CD GLU A 82 12.102 -12.164 -11.951 1.00 0.00 C ATOM 992 OE1 GLU A 82 12.026 -11.180 -12.728 1.00 0.00 O ATOM 993 OE2 GLU A 82 13.185 -12.484 -11.402 1.00 0.00 O ATOM 0 H GLU A 82 9.890 -13.871 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 82 11.100 -11.414 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.823 -12.787 -10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.546 -11.296 -11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.109 -13.872 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.452 -13.391 -12.621 1.00 0.00 H new ATOM 1000 N ARG A 83 7.885 -11.052 -8.697 1.00 0.00 N ATOM 1001 CA ARG A 83 6.877 -10.111 -8.169 1.00 0.00 C ATOM 1002 C ARG A 83 7.043 -9.845 -6.669 1.00 0.00 C ATOM 1003 O ARG A 83 6.783 -8.733 -6.209 1.00 0.00 O ATOM 1004 CB ARG A 83 5.465 -10.630 -8.479 1.00 0.00 C ATOM 1005 CG ARG A 83 5.192 -10.649 -9.992 1.00 0.00 C ATOM 1006 CD ARG A 83 3.715 -10.924 -10.295 1.00 0.00 C ATOM 1007 NE ARG A 83 3.434 -10.792 -11.740 1.00 0.00 N ATOM 1008 CZ ARG A 83 3.548 -11.713 -12.682 1.00 0.00 C ATOM 1009 NH1 ARG A 83 3.932 -12.931 -12.423 1.00 0.00 N ATOM 1010 NH2 ARG A 83 3.279 -11.421 -13.922 1.00 0.00 N ATOM 0 H ARG A 83 7.540 -12.009 -8.777 1.00 0.00 H new ATOM 0 HA ARG A 83 7.030 -9.155 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.349 -11.635 -8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.727 -9.999 -7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.481 -9.692 -10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.809 -11.413 -10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.453 -11.928 -9.961 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.090 -10.228 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 83 3.112 -9.875 -12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.157 -13.202 -11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.008 -13.613 -13.177 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.979 -10.478 -14.170 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.368 -12.135 -14.645 1.00 0.00 H new ATOM 1024 N LEU A 84 7.517 -10.842 -5.920 1.00 0.00 N ATOM 1025 CA LEU A 84 7.814 -10.762 -4.485 1.00 0.00 C ATOM 1026 C LEU A 84 8.865 -9.673 -4.186 1.00 0.00 C ATOM 1027 O LEU A 84 8.664 -8.818 -3.321 1.00 0.00 O ATOM 1028 CB LEU A 84 8.233 -12.176 -4.018 1.00 0.00 C ATOM 1029 CG LEU A 84 7.964 -12.456 -2.533 1.00 0.00 C ATOM 1030 CD1 LEU A 84 7.866 -13.954 -2.284 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.032 -11.913 -1.583 1.00 0.00 C ATOM 0 H LEU A 84 7.713 -11.764 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 84 6.935 -10.454 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.702 -12.916 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.297 -12.310 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 84 7.028 -11.939 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.675 -14.135 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.050 -14.369 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.802 -14.433 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.762 -12.156 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.995 -12.365 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.102 -10.831 -1.694 1.00 0.00 H new ATOM 1043 N GLU A 85 9.957 -9.659 -4.953 1.00 0.00 N ATOM 1044 CA GLU A 85 11.025 -8.650 -4.895 1.00 0.00 C ATOM 1045 C GLU A 85 10.546 -7.240 -5.283 1.00 0.00 C ATOM 1046 O GLU A 85 10.973 -6.258 -4.674 1.00 0.00 O ATOM 1047 CB GLU A 85 12.177 -9.065 -5.825 1.00 0.00 C ATOM 1048 CG GLU A 85 12.956 -10.294 -5.332 1.00 0.00 C ATOM 1049 CD GLU A 85 13.848 -9.971 -4.118 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.992 -9.494 -4.316 1.00 0.00 O ATOM 1051 OE2 GLU A 85 13.416 -10.206 -2.962 1.00 0.00 O ATOM 0 H GLU A 85 10.131 -10.375 -5.658 1.00 0.00 H new ATOM 0 HA GLU A 85 11.359 -8.604 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.775 -9.274 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.866 -8.227 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.254 -11.084 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.575 -10.679 -6.143 1.00 0.00 H new ATOM 1058 N GLU A 86 9.647 -7.116 -6.267 1.00 0.00 N ATOM 1059 CA GLU A 86 9.049 -5.827 -6.645 1.00 0.00 C ATOM 1060 C GLU A 86 8.237 -5.235 -5.483 1.00 0.00 C ATOM 1061 O GLU A 86 8.431 -4.075 -5.118 1.00 0.00 O ATOM 1062 CB GLU A 86 8.179 -5.985 -7.906 1.00 0.00 C ATOM 1063 CG GLU A 86 7.799 -4.645 -8.553 1.00 0.00 C ATOM 1064 CD GLU A 86 9.002 -3.983 -9.258 1.00 0.00 C ATOM 1065 OE1 GLU A 86 9.253 -4.286 -10.450 1.00 0.00 O ATOM 1066 OE2 GLU A 86 9.696 -3.147 -8.632 1.00 0.00 O ATOM 0 H GLU A 86 9.313 -7.903 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 86 9.855 -5.130 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.715 -6.594 -8.635 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.269 -6.526 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.998 -4.805 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.410 -3.971 -7.790 1.00 0.00 H new ATOM 1073 N ALA A 87 7.376 -6.039 -4.849 1.00 0.00 N ATOM 1074 CA ALA A 87 6.569 -5.626 -3.699 1.00 0.00 C ATOM 1075 C ALA A 87 7.430 -5.076 -2.538 1.00 0.00 C ATOM 1076 O ALA A 87 7.085 -4.063 -1.922 1.00 0.00 O ATOM 1077 CB ALA A 87 5.691 -6.810 -3.271 1.00 0.00 C ATOM 0 H ALA A 87 7.219 -7.008 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 87 5.929 -4.793 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.082 -6.521 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.041 -7.098 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.325 -7.653 -2.997 1.00 0.00 H new ATOM 1083 N ALA A 88 8.591 -5.692 -2.285 1.00 0.00 N ATOM 1084 CA ALA A 88 9.562 -5.240 -1.285 1.00 0.00 C ATOM 1085 C ALA A 88 10.226 -3.884 -1.629 1.00 0.00 C ATOM 1086 O ALA A 88 10.740 -3.203 -0.740 1.00 0.00 O ATOM 1087 CB ALA A 88 10.601 -6.348 -1.077 1.00 0.00 C ATOM 0 H ALA A 88 8.886 -6.534 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 88 9.025 -5.052 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.332 -6.027 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.103 -7.253 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.108 -6.553 -2.020 1.00 0.00 H new ATOM 1093 N SER A 89 10.203 -3.460 -2.898 1.00 0.00 N ATOM 1094 CA SER A 89 10.700 -2.148 -3.346 1.00 0.00 C ATOM 1095 C SER A 89 9.628 -1.067 -3.176 1.00 0.00 C ATOM 1096 O SER A 89 9.940 0.069 -2.808 1.00 0.00 O ATOM 1097 CB SER A 89 11.157 -2.222 -4.809 1.00 0.00 C ATOM 1098 OG SER A 89 11.938 -1.086 -5.153 1.00 0.00 O ATOM 0 H SER A 89 9.832 -4.028 -3.659 1.00 0.00 H new ATOM 0 HA SER A 89 11.554 -1.878 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.739 -3.130 -4.967 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.287 -2.283 -5.463 1.00 0.00 H new ATOM 0 HG SER A 89 12.220 -1.154 -6.089 1.00 0.00 H new ATOM 1104 N ARG A 90 8.347 -1.415 -3.380 1.00 0.00 N ATOM 1105 CA ARG A 90 7.201 -0.516 -3.151 1.00 0.00 C ATOM 1106 C ARG A 90 7.130 -0.071 -1.687 1.00 0.00 C ATOM 1107 O ARG A 90 7.000 1.122 -1.410 1.00 0.00 O ATOM 1108 CB ARG A 90 5.881 -1.185 -3.575 1.00 0.00 C ATOM 1109 CG ARG A 90 5.831 -1.695 -5.025 1.00 0.00 C ATOM 1110 CD ARG A 90 6.066 -0.615 -6.090 1.00 0.00 C ATOM 1111 NE ARG A 90 5.001 0.412 -6.084 1.00 0.00 N ATOM 1112 CZ ARG A 90 3.775 0.306 -6.566 1.00 0.00 C ATOM 1113 NH1 ARG A 90 3.356 -0.770 -7.173 1.00 0.00 N ATOM 1114 NH2 ARG A 90 2.931 1.289 -6.443 1.00 0.00 N ATOM 0 H ARG A 90 8.073 -2.340 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 90 7.350 0.370 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.689 -2.024 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.070 -0.471 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.581 -2.477 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.859 -2.155 -5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.030 -0.138 -5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.114 -1.081 -7.074 1.00 0.00 H new ATOM 0 HE ARG A 90 5.241 1.307 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.982 -1.567 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.402 -0.814 -7.532 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.214 2.148 -5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.986 1.200 -6.818 1.00 0.00 H new ATOM 1128 N LEU A 91 7.268 -1.016 -0.750 1.00 0.00 N ATOM 1129 CA LEU A 91 7.261 -0.733 0.692 1.00 0.00 C ATOM 1130 C LEU A 91 8.450 0.145 1.130 1.00 0.00 C ATOM 1131 O LEU A 91 8.281 1.046 1.947 1.00 0.00 O ATOM 1132 CB LEU A 91 7.090 -2.055 1.479 1.00 0.00 C ATOM 1133 CG LEU A 91 8.343 -2.881 1.830 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.067 -2.383 3.088 1.00 0.00 C ATOM 1135 CD2 LEU A 91 7.938 -4.331 2.094 1.00 0.00 C ATOM 0 H LEU A 91 7.388 -2.004 -0.971 1.00 0.00 H new ATOM 0 HA LEU A 91 6.398 -0.114 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.579 -1.819 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.423 -2.697 0.904 1.00 0.00 H new ATOM 0 HG LEU A 91 9.017 -2.783 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.939 -3.009 3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.386 -1.351 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.391 -2.435 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.823 -4.917 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.234 -4.367 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.467 -4.745 1.202 1.00 0.00 H new ATOM 1147 N GLN A 92 9.637 -0.038 0.540 1.00 0.00 N ATOM 1148 CA GLN A 92 10.833 0.774 0.826 1.00 0.00 C ATOM 1149 C GLN A 92 10.638 2.282 0.576 1.00 0.00 C ATOM 1150 O GLN A 92 11.211 3.113 1.284 1.00 0.00 O ATOM 1151 CB GLN A 92 12.029 0.223 0.024 1.00 0.00 C ATOM 1152 CG GLN A 92 12.849 -0.820 0.801 1.00 0.00 C ATOM 1153 CD GLN A 92 13.690 -0.222 1.935 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.197 0.890 1.869 1.00 0.00 O ATOM 1155 NE2 GLN A 92 13.896 -0.943 3.017 1.00 0.00 N ATOM 0 H GLN A 92 9.799 -0.763 -0.159 1.00 0.00 H new ATOM 0 HA GLN A 92 11.031 0.688 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.663 -0.226 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.680 1.050 -0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.171 -1.565 1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.509 -1.341 0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.484 -1.873 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.467 -0.572 3.776 1.00 0.00 H new ATOM 1164 N GLY A 93 9.779 2.641 -0.380 1.00 0.00 N ATOM 1165 CA GLY A 93 9.405 4.027 -0.686 1.00 0.00 C ATOM 1166 C GLY A 93 8.464 4.659 0.346 1.00 0.00 C ATOM 1167 O GLY A 93 8.596 5.844 0.659 1.00 0.00 O ATOM 0 H GLY A 93 9.311 1.960 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.310 4.630 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.927 4.056 -1.665 1.00 0.00 H new ATOM 1171 N LEU A 94 7.541 3.879 0.923 1.00 0.00 N ATOM 1172 CA LEU A 94 6.635 4.330 1.988 1.00 0.00 C ATOM 1173 C LEU A 94 7.389 4.753 3.257 1.00 0.00 C ATOM 1174 O LEU A 94 7.055 5.776 3.841 1.00 0.00 O ATOM 1175 CB LEU A 94 5.613 3.228 2.311 1.00 0.00 C ATOM 1176 CG LEU A 94 4.282 3.334 1.555 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.463 2.083 1.863 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.468 4.564 1.977 1.00 0.00 C ATOM 0 H LEU A 94 7.400 2.904 0.660 1.00 0.00 H new ATOM 0 HA LEU A 94 6.112 5.213 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.063 2.260 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.408 3.247 3.381 1.00 0.00 H new ATOM 0 HG LEU A 94 4.501 3.429 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.510 2.133 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.012 1.199 1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.282 2.022 2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.535 4.594 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.246 4.506 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.043 5.468 1.775 1.00 0.00 H new ATOM 1190 N GLN A 95 8.434 4.031 3.676 1.00 0.00 N ATOM 1191 CA GLN A 95 9.249 4.412 4.843 1.00 0.00 C ATOM 1192 C GLN A 95 9.860 5.828 4.719 1.00 0.00 C ATOM 1193 O GLN A 95 10.061 6.518 5.722 1.00 0.00 O ATOM 1194 CB GLN A 95 10.339 3.352 5.095 1.00 0.00 C ATOM 1195 CG GLN A 95 10.569 3.139 6.602 1.00 0.00 C ATOM 1196 CD GLN A 95 11.663 2.112 6.892 1.00 0.00 C ATOM 1197 OE1 GLN A 95 12.709 2.417 7.447 1.00 0.00 O ATOM 1198 NE2 GLN A 95 11.471 0.856 6.543 1.00 0.00 N ATOM 0 H GLN A 95 8.740 3.171 3.221 1.00 0.00 H new ATOM 0 HA GLN A 95 8.582 4.450 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 95 10.047 2.409 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.270 3.665 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.838 4.090 7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.638 2.812 7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.605 0.582 6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.189 0.157 6.737 1.00 0.00 H new ATOM 1207 N LYS A 96 10.104 6.293 3.483 1.00 0.00 N ATOM 1208 CA LYS A 96 10.623 7.634 3.165 1.00 0.00 C ATOM 1209 C LYS A 96 9.570 8.752 3.270 1.00 0.00 C ATOM 1210 O LYS A 96 9.931 9.899 3.532 1.00 0.00 O ATOM 1211 CB LYS A 96 11.270 7.598 1.770 1.00 0.00 C ATOM 1212 CG LYS A 96 12.384 8.650 1.649 1.00 0.00 C ATOM 1213 CD LYS A 96 13.075 8.625 0.280 1.00 0.00 C ATOM 1214 CE LYS A 96 12.174 9.210 -0.816 1.00 0.00 C ATOM 1215 NZ LYS A 96 12.892 9.312 -2.113 1.00 0.00 N ATOM 0 H LYS A 96 9.940 5.728 2.650 1.00 0.00 H new ATOM 0 HA LYS A 96 11.369 7.886 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.680 6.606 1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.511 7.779 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.963 9.641 1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.126 8.479 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.004 9.193 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.341 7.599 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.291 8.583 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.825 10.197 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.255 9.711 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.721 9.930 -2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.203 8.366 -2.413 1.00 0.00 H new ATOM 1229 N LEU A 97 8.277 8.442 3.117 1.00 0.00 N ATOM 1230 CA LEU A 97 7.173 9.395 3.298 1.00 0.00 C ATOM 1231 C LEU A 97 7.168 9.916 4.746 1.00 0.00 C ATOM 1232 O LEU A 97 7.123 11.126 4.962 1.00 0.00 O ATOM 1233 CB LEU A 97 5.858 8.704 2.883 1.00 0.00 C ATOM 1234 CG LEU A 97 4.555 9.311 3.411 1.00 0.00 C ATOM 1235 CD1 LEU A 97 4.289 10.735 2.937 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.388 8.417 2.990 1.00 0.00 C ATOM 0 H LEU A 97 7.962 7.507 2.860 1.00 0.00 H new ATOM 0 HA LEU A 97 7.294 10.272 2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.810 8.694 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.904 7.665 3.209 1.00 0.00 H new ATOM 0 HG LEU A 97 4.656 9.365 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.347 11.088 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.100 11.385 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.230 10.751 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.454 8.839 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.352 8.354 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.525 7.419 3.407 1.00 0.00 H new ATOM 1248 N ILE A 98 7.284 9.014 5.731 1.00 0.00 N ATOM 1249 CA ILE A 98 7.400 9.394 7.148 1.00 0.00 C ATOM 1250 C ILE A 98 8.669 10.221 7.387 1.00 0.00 C ATOM 1251 O ILE A 98 8.605 11.218 8.093 1.00 0.00 O ATOM 1252 CB ILE A 98 7.370 8.182 8.110 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.207 7.216 7.816 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.201 8.653 9.564 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.643 6.020 6.979 1.00 0.00 C ATOM 0 H ILE A 98 7.300 8.007 5.571 1.00 0.00 H new ATOM 0 HA ILE A 98 6.521 9.999 7.371 1.00 0.00 H new ATOM 0 HB ILE A 98 8.317 7.664 7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.785 6.863 8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.416 7.753 7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.182 7.788 10.227 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.035 9.300 9.836 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.266 9.205 9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.787 5.370 6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.040 6.368 6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.415 5.465 7.512 1.00 0.00 H new ATOM 1267 N ASN A 99 9.812 9.857 6.789 1.00 0.00 N ATOM 1268 CA ASN A 99 11.080 10.581 6.962 1.00 0.00 C ATOM 1269 C ASN A 99 10.988 12.091 6.637 1.00 0.00 C ATOM 1270 O ASN A 99 11.718 12.888 7.226 1.00 0.00 O ATOM 1271 CB ASN A 99 12.176 9.882 6.136 1.00 0.00 C ATOM 1272 CG ASN A 99 13.546 10.503 6.363 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.201 10.270 7.370 1.00 0.00 O ATOM 1274 ND2 ASN A 99 14.031 11.301 5.436 1.00 0.00 N ATOM 0 H ASN A 99 9.884 9.050 6.170 1.00 0.00 H new ATOM 0 HA ASN A 99 11.338 10.545 8.021 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.209 8.825 6.399 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.923 9.939 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.951 11.724 5.558 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.487 11.497 4.596 1.00 0.00 H new ATOM 1281 N ASP A 100 10.089 12.502 5.736 1.00 0.00 N ATOM 1282 CA ASP A 100 9.838 13.917 5.425 1.00 0.00 C ATOM 1283 C ASP A 100 9.107 14.646 6.576 1.00 0.00 C ATOM 1284 O ASP A 100 9.584 15.663 7.083 1.00 0.00 O ATOM 1285 CB ASP A 100 9.046 14.020 4.112 1.00 0.00 C ATOM 1286 CG ASP A 100 8.845 15.480 3.671 1.00 0.00 C ATOM 1287 OD1 ASP A 100 9.847 16.226 3.556 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.685 15.884 3.414 1.00 0.00 O ATOM 0 H ASP A 100 9.510 11.858 5.197 1.00 0.00 H new ATOM 0 HA ASP A 100 10.800 14.416 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.571 13.474 3.328 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.074 13.542 4.237 1.00 0.00 H new ATOM 1293 N SER A 101 7.961 14.114 7.013 1.00 0.00 N ATOM 1294 CA SER A 101 7.092 14.639 8.083 1.00 0.00 C ATOM 1295 C SER A 101 7.400 14.072 9.483 1.00 0.00 C ATOM 1296 O SER A 101 6.582 14.163 10.398 1.00 0.00 O ATOM 1297 CB SER A 101 5.620 14.436 7.691 1.00 0.00 C ATOM 1298 OG SER A 101 5.363 13.102 7.282 1.00 0.00 O ATOM 0 H SER A 101 7.589 13.255 6.609 1.00 0.00 H new ATOM 0 HA SER A 101 7.302 15.705 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.981 14.686 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.361 15.120 6.883 1.00 0.00 H new ATOM 0 HG SER A 101 4.417 13.010 7.042 1.00 0.00 H new ATOM 1304 N VAL A 102 8.587 13.504 9.703 1.00 0.00 N ATOM 1305 CA VAL A 102 8.976 12.808 10.944 1.00 0.00 C ATOM 1306 C VAL A 102 8.875 13.682 12.197 1.00 0.00 C ATOM 1307 O VAL A 102 8.362 13.242 13.224 1.00 0.00 O ATOM 1308 CB VAL A 102 10.385 12.198 10.800 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.478 13.242 10.545 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.768 11.383 12.033 1.00 0.00 C ATOM 0 H VAL A 102 9.331 13.513 9.005 1.00 0.00 H new ATOM 0 HA VAL A 102 8.252 12.006 11.088 1.00 0.00 H new ATOM 0 HB VAL A 102 10.325 11.551 9.925 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.443 12.744 10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.259 13.780 9.623 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.510 13.946 11.377 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.767 10.967 11.899 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.759 12.027 12.912 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.053 10.572 12.170 1.00 0.00 H new ATOM 1320 N PHE A 103 9.316 14.939 12.106 1.00 0.00 N ATOM 1321 CA PHE A 103 9.232 15.933 13.183 1.00 0.00 C ATOM 1322 C PHE A 103 7.827 16.539 13.327 1.00 0.00 C ATOM 1323 O PHE A 103 7.575 17.315 14.253 1.00 0.00 O ATOM 1324 CB PHE A 103 10.264 17.040 12.915 1.00 0.00 C ATOM 1325 CG PHE A 103 11.667 16.536 12.626 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.314 15.675 13.535 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.315 16.898 11.429 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.599 15.181 13.249 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.602 16.409 11.146 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.244 15.550 12.056 1.00 0.00 C ATOM 0 H PHE A 103 9.753 15.305 11.260 1.00 0.00 H new ATOM 0 HA PHE A 103 9.446 15.427 14.124 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.925 17.638 12.069 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.300 17.702 13.780 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.821 15.394 14.454 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.822 17.553 10.727 1.00 0.00 H new ATOM 0 HE1 PHE A 103 14.090 14.518 13.946 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.098 16.693 10.230 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.233 15.174 11.838 1.00 0.00 H new ATOM 1340 N PHE A 104 6.914 16.194 12.415 1.00 0.00 N ATOM 1341 CA PHE A 104 5.523 16.665 12.415 1.00 0.00 C ATOM 1342 C PHE A 104 4.595 15.618 13.047 1.00 0.00 C ATOM 1343 O PHE A 104 3.768 15.950 13.902 1.00 0.00 O ATOM 1344 CB PHE A 104 5.104 17.041 10.982 1.00 0.00 C ATOM 1345 CG PHE A 104 3.612 17.013 10.744 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.820 18.136 11.040 1.00 0.00 C ATOM 1347 CD2 PHE A 104 3.010 15.827 10.283 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.425 18.067 10.884 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.622 15.757 10.119 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.836 16.875 10.431 1.00 0.00 C ATOM 0 H PHE A 104 7.124 15.566 11.639 1.00 0.00 H new ATOM 0 HA PHE A 104 5.440 17.562 13.029 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.478 18.040 10.757 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.585 16.356 10.284 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.282 19.049 11.386 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.622 14.967 10.055 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.810 18.925 11.111 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.161 14.851 9.756 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.237 16.819 10.322 1.00 0.00 H new ATOM 1360 N LEU A 105 4.748 14.353 12.652 1.00 0.00 N ATOM 1361 CA LEU A 105 4.022 13.217 13.207 1.00 0.00 C ATOM 1362 C LEU A 105 4.321 13.045 14.705 1.00 0.00 C ATOM 1363 O LEU A 105 5.473 13.139 15.140 1.00 0.00 O ATOM 1364 CB LEU A 105 4.408 11.972 12.390 1.00 0.00 C ATOM 1365 CG LEU A 105 3.928 12.029 10.927 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.456 10.811 10.192 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.408 12.091 10.788 1.00 0.00 C ATOM 0 H LEU A 105 5.401 14.086 11.915 1.00 0.00 H new ATOM 0 HA LEU A 105 2.946 13.379 13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.492 11.858 12.405 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.988 11.087 12.869 1.00 0.00 H new ATOM 0 HG LEU A 105 4.315 12.952 10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.123 10.839 9.155 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.546 10.811 10.224 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.079 9.906 10.669 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.140 12.129 9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.965 11.205 11.243 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.033 12.983 11.290 1.00 0.00 H new ATOM 1379 N ALA A 106 3.275 12.797 15.500 1.00 0.00 N ATOM 1380 CA ALA A 106 3.400 12.516 16.932 1.00 0.00 C ATOM 1381 C ALA A 106 4.251 11.257 17.188 1.00 0.00 C ATOM 1382 O ALA A 106 4.369 10.395 16.314 1.00 0.00 O ATOM 1383 CB ALA A 106 1.990 12.361 17.520 1.00 0.00 C ATOM 0 H ALA A 106 2.312 12.786 15.165 1.00 0.00 H new ATOM 0 HA ALA A 106 3.914 13.344 17.421 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.062 12.151 18.587 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.429 13.283 17.369 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.477 11.538 17.022 1.00 0.00 H new ATOM 1389 N ALA A 107 4.770 11.093 18.411 1.00 0.00 N ATOM 1390 CA ALA A 107 5.511 9.890 18.814 1.00 0.00 C ATOM 1391 C ALA A 107 4.705 8.596 18.572 1.00 0.00 C ATOM 1392 O ALA A 107 5.273 7.567 18.211 1.00 0.00 O ATOM 1393 CB ALA A 107 5.940 10.042 20.278 1.00 0.00 C ATOM 0 H ALA A 107 4.688 11.791 19.150 1.00 0.00 H new ATOM 0 HA ALA A 107 6.400 9.795 18.190 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.491 9.155 20.590 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.577 10.920 20.381 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.057 10.159 20.906 1.00 0.00 H new ATOM 1399 N TYR A 108 3.378 8.654 18.721 1.00 0.00 N ATOM 1400 CA TYR A 108 2.458 7.553 18.428 1.00 0.00 C ATOM 1401 C TYR A 108 2.409 7.261 16.915 1.00 0.00 C ATOM 1402 O TYR A 108 2.648 6.136 16.478 1.00 0.00 O ATOM 1403 CB TYR A 108 1.072 7.924 18.982 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.051 7.017 18.520 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.190 5.727 19.067 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -0.941 7.458 17.521 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.217 4.877 18.611 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -1.968 6.613 17.064 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.109 5.316 17.607 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.093 4.485 17.168 1.00 0.00 O ATOM 0 H TYR A 108 2.902 9.491 19.058 1.00 0.00 H new ATOM 0 HA TYR A 108 2.805 6.638 18.908 1.00 0.00 H new ATOM 0 HB2 TYR A 108 1.113 7.905 20.071 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.839 8.948 18.689 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.490 5.389 19.835 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.834 8.449 17.105 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.323 3.887 19.030 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.649 6.955 16.298 1.00 0.00 H new ATOM 0 HH TYR A 108 -3.620 4.938 16.478 1.00 0.00 H new ATOM 1420 N ASP A 109 2.116 8.283 16.105 1.00 0.00 N ATOM 1421 CA ASP A 109 1.893 8.194 14.654 1.00 0.00 C ATOM 1422 C ASP A 109 3.162 7.800 13.872 1.00 0.00 C ATOM 1423 O ASP A 109 3.114 6.989 12.946 1.00 0.00 O ATOM 1424 CB ASP A 109 1.338 9.539 14.163 1.00 0.00 C ATOM 1425 CG ASP A 109 0.089 9.367 13.284 1.00 0.00 C ATOM 1426 OD1 ASP A 109 0.167 8.670 12.247 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -0.975 9.926 13.641 1.00 0.00 O ATOM 0 H ASP A 109 2.023 9.237 16.455 1.00 0.00 H new ATOM 0 HA ASP A 109 1.174 7.396 14.467 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.092 10.164 15.022 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.108 10.063 13.598 1.00 0.00 H new ATOM 1432 N LEU A 110 4.317 8.340 14.276 1.00 0.00 N ATOM 1433 CA LEU A 110 5.636 8.009 13.730 1.00 0.00 C ATOM 1434 C LEU A 110 5.927 6.511 13.912 1.00 0.00 C ATOM 1435 O LEU A 110 6.256 5.806 12.953 1.00 0.00 O ATOM 1436 CB LEU A 110 6.674 8.905 14.436 1.00 0.00 C ATOM 1437 CG LEU A 110 8.153 8.532 14.222 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.524 8.412 12.749 1.00 0.00 C ATOM 1439 CD2 LEU A 110 9.036 9.603 14.857 1.00 0.00 C ATOM 0 H LEU A 110 4.360 9.041 15.015 1.00 0.00 H new ATOM 0 HA LEU A 110 5.679 8.199 12.658 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.527 9.931 14.098 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.468 8.889 15.506 1.00 0.00 H new ATOM 0 HG LEU A 110 8.309 7.558 14.686 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.578 8.147 12.660 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.915 7.638 12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.345 9.365 12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.085 9.345 14.709 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.830 10.567 14.392 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.824 9.663 15.925 1.00 0.00 H new ATOM 1451 N ARG A 111 5.768 6.015 15.145 1.00 0.00 N ATOM 1452 CA ARG A 111 5.957 4.598 15.491 1.00 0.00 C ATOM 1453 C ARG A 111 4.962 3.689 14.769 1.00 0.00 C ATOM 1454 O ARG A 111 5.331 2.606 14.321 1.00 0.00 O ATOM 1455 CB ARG A 111 5.939 4.419 17.022 1.00 0.00 C ATOM 1456 CG ARG A 111 7.267 4.732 17.748 1.00 0.00 C ATOM 1457 CD ARG A 111 7.987 6.033 17.344 1.00 0.00 C ATOM 1458 NE ARG A 111 8.882 6.533 18.409 1.00 0.00 N ATOM 1459 CZ ARG A 111 10.117 6.156 18.696 1.00 0.00 C ATOM 1460 NH1 ARG A 111 10.733 5.223 18.028 1.00 0.00 N ATOM 1461 NH2 ARG A 111 10.764 6.719 19.676 1.00 0.00 N ATOM 0 H ARG A 111 5.501 6.593 15.942 1.00 0.00 H new ATOM 0 HA ARG A 111 6.939 4.284 15.136 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.160 5.060 17.435 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.657 3.390 17.246 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.068 4.772 18.819 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.950 3.899 17.581 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.567 5.858 16.438 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.246 6.797 17.107 1.00 0.00 H new ATOM 0 HE ARG A 111 8.495 7.267 19.002 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.263 4.755 17.253 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.686 4.960 18.280 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.319 7.454 20.226 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.716 6.425 19.894 1.00 0.00 H new ATOM 1475 N GLN A 112 3.738 4.172 14.576 1.00 0.00 N ATOM 1476 CA GLN A 112 2.677 3.495 13.814 1.00 0.00 C ATOM 1477 C GLN A 112 3.072 3.303 12.339 1.00 0.00 C ATOM 1478 O GLN A 112 2.997 2.183 11.834 1.00 0.00 O ATOM 1479 CB GLN A 112 1.350 4.269 13.931 1.00 0.00 C ATOM 1480 CG GLN A 112 0.461 3.799 15.092 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.336 2.545 14.731 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -1.228 2.561 13.892 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -0.061 1.409 15.336 1.00 0.00 N ATOM 0 H GLN A 112 3.442 5.072 14.954 1.00 0.00 H new ATOM 0 HA GLN A 112 2.539 2.504 14.245 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.568 5.329 14.058 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.797 4.167 12.997 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.082 3.596 15.965 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.226 4.598 15.369 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.678 1.371 16.038 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -0.587 0.567 15.102 1.00 0.00 H new ATOM 1492 N GLY A 113 3.519 4.360 11.649 1.00 0.00 N ATOM 1493 CA GLY A 113 3.917 4.306 10.235 1.00 0.00 C ATOM 1494 C GLY A 113 5.072 3.337 9.962 1.00 0.00 C ATOM 1495 O GLY A 113 5.013 2.549 9.015 1.00 0.00 O ATOM 0 H GLY A 113 3.616 5.288 12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.056 4.011 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.206 5.305 9.909 1.00 0.00 H new ATOM 1499 N GLN A 114 6.113 3.360 10.801 1.00 0.00 N ATOM 1500 CA GLN A 114 7.225 2.406 10.701 1.00 0.00 C ATOM 1501 C GLN A 114 6.797 0.958 11.019 1.00 0.00 C ATOM 1502 O GLN A 114 7.174 0.042 10.285 1.00 0.00 O ATOM 1503 CB GLN A 114 8.401 2.854 11.584 1.00 0.00 C ATOM 1504 CG GLN A 114 9.225 3.964 10.906 1.00 0.00 C ATOM 1505 CD GLN A 114 10.475 4.347 11.703 1.00 0.00 C ATOM 1506 OE1 GLN A 114 11.204 3.514 12.228 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.798 5.618 11.808 1.00 0.00 N ATOM 0 H GLN A 114 6.210 4.033 11.562 1.00 0.00 H new ATOM 0 HA GLN A 114 7.555 2.403 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 114 8.023 3.213 12.541 1.00 0.00 H new ATOM 0 HB3 GLN A 114 9.044 2.000 11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.522 3.633 9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.599 4.846 10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 114 10.208 6.331 11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.639 5.890 12.317 1.00 0.00 H new ATOM 1516 N GLU A 115 5.986 0.722 12.061 1.00 0.00 N ATOM 1517 CA GLU A 115 5.469 -0.625 12.367 1.00 0.00 C ATOM 1518 C GLU A 115 4.546 -1.206 11.291 1.00 0.00 C ATOM 1519 O GLU A 115 4.545 -2.416 11.052 1.00 0.00 O ATOM 1520 CB GLU A 115 4.759 -0.685 13.721 1.00 0.00 C ATOM 1521 CG GLU A 115 5.717 -0.896 14.902 1.00 0.00 C ATOM 1522 CD GLU A 115 4.995 -1.575 16.084 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.771 -2.810 16.031 1.00 0.00 O ATOM 1524 OE2 GLU A 115 4.655 -0.890 17.079 1.00 0.00 O ATOM 0 H GLU A 115 5.672 1.446 12.708 1.00 0.00 H new ATOM 0 HA GLU A 115 6.365 -1.244 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 115 4.204 0.241 13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 115 4.030 -1.495 13.705 1.00 0.00 H new ATOM 0 HG2 GLU A 115 6.561 -1.509 14.586 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.123 0.064 15.222 1.00 0.00 H new ATOM 1531 N ALA A 116 3.783 -0.350 10.621 1.00 0.00 N ATOM 1532 CA ALA A 116 2.873 -0.749 9.552 1.00 0.00 C ATOM 1533 C ALA A 116 3.621 -1.456 8.420 1.00 0.00 C ATOM 1534 O ALA A 116 3.260 -2.577 8.069 1.00 0.00 O ATOM 1535 CB ALA A 116 2.086 0.466 9.051 1.00 0.00 C ATOM 0 H ALA A 116 3.778 0.653 10.807 1.00 0.00 H new ATOM 0 HA ALA A 116 2.159 -1.470 9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.410 0.158 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.509 0.890 9.873 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.779 1.216 8.670 1.00 0.00 H new ATOM 1541 N LEU A 117 4.692 -0.857 7.889 1.00 0.00 N ATOM 1542 CA LEU A 117 5.519 -1.525 6.878 1.00 0.00 C ATOM 1543 C LEU A 117 6.085 -2.875 7.330 1.00 0.00 C ATOM 1544 O LEU A 117 6.099 -3.820 6.540 1.00 0.00 O ATOM 1545 CB LEU A 117 6.664 -0.610 6.436 1.00 0.00 C ATOM 1546 CG LEU A 117 6.242 0.563 5.541 1.00 0.00 C ATOM 1547 CD1 LEU A 117 7.509 1.119 4.930 1.00 0.00 C ATOM 1548 CD2 LEU A 117 5.275 0.143 4.432 1.00 0.00 C ATOM 0 H LEU A 117 5.005 0.081 8.139 1.00 0.00 H new ATOM 0 HA LEU A 117 4.852 -1.732 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.156 -0.213 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.403 -1.208 5.903 1.00 0.00 H new ATOM 0 HG LEU A 117 5.713 1.302 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.262 1.960 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.177 1.456 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.002 0.342 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.011 1.013 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 117 5.751 -0.605 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.373 -0.278 4.876 1.00 0.00 H new ATOM 1560 N ALA A 118 6.505 -2.996 8.590 1.00 0.00 N ATOM 1561 CA ALA A 118 6.975 -4.264 9.147 1.00 0.00 C ATOM 1562 C ALA A 118 5.904 -5.365 9.066 1.00 0.00 C ATOM 1563 O ALA A 118 6.209 -6.506 8.713 1.00 0.00 O ATOM 1564 CB ALA A 118 7.408 -4.055 10.597 1.00 0.00 C ATOM 0 H ALA A 118 6.529 -2.220 9.251 1.00 0.00 H new ATOM 0 HA ALA A 118 7.824 -4.597 8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.758 -5.000 11.012 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.214 -3.322 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.562 -3.694 11.181 1.00 0.00 H new ATOM 1570 N ARG A 119 4.639 -5.020 9.354 1.00 0.00 N ATOM 1571 CA ARG A 119 3.505 -5.954 9.309 1.00 0.00 C ATOM 1572 C ARG A 119 3.287 -6.530 7.902 1.00 0.00 C ATOM 1573 O ARG A 119 3.065 -7.728 7.739 1.00 0.00 O ATOM 1574 CB ARG A 119 2.250 -5.232 9.829 1.00 0.00 C ATOM 1575 CG ARG A 119 1.117 -6.201 10.190 1.00 0.00 C ATOM 1576 CD ARG A 119 -0.100 -5.422 10.704 1.00 0.00 C ATOM 1577 NE ARG A 119 -1.232 -6.323 10.993 1.00 0.00 N ATOM 1578 CZ ARG A 119 -2.501 -5.988 11.149 1.00 0.00 C ATOM 1579 NH1 ARG A 119 -2.903 -4.749 11.100 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -3.404 -6.903 11.360 1.00 0.00 N ATOM 0 H ARG A 119 4.373 -4.074 9.628 1.00 0.00 H new ATOM 0 HA ARG A 119 3.723 -6.808 9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.513 -4.643 10.708 1.00 0.00 H new ATOM 0 HB3 ARG A 119 1.897 -4.533 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.839 -6.789 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.457 -6.903 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 119 0.171 -4.875 11.607 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -0.401 -4.683 9.961 1.00 0.00 H new ATOM 0 HE ARG A 119 -1.011 -7.315 11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.230 -4.000 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.891 -4.528 11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.134 -7.885 11.406 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -4.381 -6.637 11.479 1.00 0.00 H new ATOM 1594 N LEU A 120 3.389 -5.673 6.883 1.00 0.00 N ATOM 1595 CA LEU A 120 3.267 -6.023 5.460 1.00 0.00 C ATOM 1596 C LEU A 120 4.478 -6.836 4.968 1.00 0.00 C ATOM 1597 O LEU A 120 4.318 -7.821 4.248 1.00 0.00 O ATOM 1598 CB LEU A 120 3.098 -4.740 4.616 1.00 0.00 C ATOM 1599 CG LEU A 120 2.028 -3.768 5.144 1.00 0.00 C ATOM 1600 CD1 LEU A 120 2.106 -2.426 4.434 1.00 0.00 C ATOM 1601 CD2 LEU A 120 0.606 -4.297 5.017 1.00 0.00 C ATOM 0 H LEU A 120 3.565 -4.679 7.029 1.00 0.00 H new ATOM 0 HA LEU A 120 2.384 -6.651 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.055 -4.219 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.843 -5.023 3.595 1.00 0.00 H new ATOM 0 HG LEU A 120 2.251 -3.654 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.338 -1.761 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.089 -1.984 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.947 -2.570 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.093 -3.559 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.381 -4.488 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.511 -5.224 5.583 1.00 0.00 H new ATOM 1613 N GLN A 121 5.691 -6.467 5.392 1.00 0.00 N ATOM 1614 CA GLN A 121 6.928 -7.187 5.089 1.00 0.00 C ATOM 1615 C GLN A 121 6.941 -8.606 5.696 1.00 0.00 C ATOM 1616 O GLN A 121 7.464 -9.542 5.091 1.00 0.00 O ATOM 1617 CB GLN A 121 8.089 -6.316 5.589 1.00 0.00 C ATOM 1618 CG GLN A 121 9.491 -6.896 5.385 1.00 0.00 C ATOM 1619 CD GLN A 121 9.931 -7.020 3.923 1.00 0.00 C ATOM 1620 OE1 GLN A 121 9.347 -7.725 3.116 1.00 0.00 O ATOM 1621 NE2 GLN A 121 10.999 -6.366 3.521 1.00 0.00 N ATOM 0 H GLN A 121 5.841 -5.639 5.969 1.00 0.00 H new ATOM 0 HA GLN A 121 7.022 -7.349 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.038 -5.351 5.085 1.00 0.00 H new ATOM 0 HB3 GLN A 121 7.945 -6.127 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.209 -6.268 5.913 1.00 0.00 H new ATOM 0 HG3 GLN A 121 9.531 -7.883 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 121 11.507 -5.769 4.174 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.319 -6.456 2.557 1.00 0.00 H new ATOM 1630 N ALA A 122 6.323 -8.807 6.864 1.00 0.00 N ATOM 1631 CA ALA A 122 6.184 -10.132 7.469 1.00 0.00 C ATOM 1632 C ALA A 122 5.359 -11.099 6.592 1.00 0.00 C ATOM 1633 O ALA A 122 5.735 -12.264 6.449 1.00 0.00 O ATOM 1634 CB ALA A 122 5.593 -9.979 8.873 1.00 0.00 C ATOM 0 H ALA A 122 5.906 -8.056 7.415 1.00 0.00 H new ATOM 0 HA ALA A 122 7.172 -10.586 7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.486 -10.962 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.256 -9.365 9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.616 -9.501 8.806 1.00 0.00 H new ATOM 1640 N ALA A 123 4.286 -10.625 5.939 1.00 0.00 N ATOM 1641 CA ALA A 123 3.496 -11.436 5.006 1.00 0.00 C ATOM 1642 C ALA A 123 4.324 -11.900 3.787 1.00 0.00 C ATOM 1643 O ALA A 123 4.095 -12.991 3.257 1.00 0.00 O ATOM 1644 CB ALA A 123 2.244 -10.649 4.604 1.00 0.00 C ATOM 0 H ALA A 123 3.944 -9.670 6.044 1.00 0.00 H new ATOM 0 HA ALA A 123 3.187 -12.355 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.649 -11.242 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.652 -10.428 5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.539 -9.716 4.123 1.00 0.00 H new ATOM 1650 N LEU A 124 5.313 -11.104 3.359 1.00 0.00 N ATOM 1651 CA LEU A 124 6.240 -11.471 2.286 1.00 0.00 C ATOM 1652 C LEU A 124 7.207 -12.564 2.736 1.00 0.00 C ATOM 1653 O LEU A 124 7.330 -13.582 2.055 1.00 0.00 O ATOM 1654 CB LEU A 124 7.047 -10.250 1.812 1.00 0.00 C ATOM 1655 CG LEU A 124 6.328 -9.376 0.782 1.00 0.00 C ATOM 1656 CD1 LEU A 124 7.279 -8.258 0.364 1.00 0.00 C ATOM 1657 CD2 LEU A 124 5.957 -10.216 -0.440 1.00 0.00 C ATOM 0 H LEU A 124 5.492 -10.180 3.753 1.00 0.00 H new ATOM 0 HA LEU A 124 5.637 -11.848 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.298 -9.637 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.988 -10.596 1.383 1.00 0.00 H new ATOM 0 HG LEU A 124 5.416 -8.960 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.789 -7.620 -0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 124 7.549 -7.664 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 124 8.179 -8.690 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 124 5.445 -9.589 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.862 -10.629 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.299 -11.030 -0.136 1.00 0.00 H new ATOM 1669 N ALA A 125 7.882 -12.374 3.874 1.00 0.00 N ATOM 1670 CA ALA A 125 8.821 -13.354 4.419 1.00 0.00 C ATOM 1671 C ALA A 125 8.166 -14.735 4.652 1.00 0.00 C ATOM 1672 O ALA A 125 8.804 -15.772 4.468 1.00 0.00 O ATOM 1673 CB ALA A 125 9.443 -12.783 5.698 1.00 0.00 C ATOM 0 H ALA A 125 7.791 -11.533 4.443 1.00 0.00 H new ATOM 0 HA ALA A 125 9.609 -13.532 3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.146 -13.505 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 125 9.969 -11.857 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.657 -12.580 6.426 1.00 0.00 H new ATOM 1679 N GLU A 126 6.877 -14.762 5.007 1.00 0.00 N ATOM 1680 CA GLU A 126 6.081 -15.987 5.163 1.00 0.00 C ATOM 1681 C GLU A 126 5.893 -16.727 3.824 1.00 0.00 C ATOM 1682 O GLU A 126 6.111 -17.940 3.758 1.00 0.00 O ATOM 1683 CB GLU A 126 4.714 -15.642 5.776 1.00 0.00 C ATOM 1684 CG GLU A 126 4.817 -15.337 7.280 1.00 0.00 C ATOM 1685 CD GLU A 126 3.517 -14.768 7.894 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.471 -14.668 7.205 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.527 -14.436 9.104 1.00 0.00 O ATOM 0 H GLU A 126 6.345 -13.913 5.199 1.00 0.00 H new ATOM 0 HA GLU A 126 6.624 -16.656 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.292 -14.780 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 126 4.027 -16.474 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.087 -16.251 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.626 -14.625 7.442 1.00 0.00 H new ATOM 1694 N ARG A 127 5.524 -16.021 2.741 1.00 0.00 N ATOM 1695 CA ARG A 127 5.370 -16.605 1.391 1.00 0.00 C ATOM 1696 C ARG A 127 6.708 -16.967 0.744 1.00 0.00 C ATOM 1697 O ARG A 127 6.791 -17.974 0.038 1.00 0.00 O ATOM 1698 CB ARG A 127 4.578 -15.649 0.481 1.00 0.00 C ATOM 1699 CG ARG A 127 3.084 -15.520 0.834 1.00 0.00 C ATOM 1700 CD ARG A 127 2.218 -16.715 0.389 1.00 0.00 C ATOM 1701 NE ARG A 127 2.330 -17.896 1.273 1.00 0.00 N ATOM 1702 CZ ARG A 127 1.737 -18.097 2.438 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.967 -17.202 2.989 1.00 0.00 N ATOM 1704 NH2 ARG A 127 1.905 -19.217 3.080 1.00 0.00 N ATOM 0 H ARG A 127 5.322 -15.022 2.775 1.00 0.00 H new ATOM 0 HA ARG A 127 4.816 -17.536 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.036 -14.661 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.666 -15.993 -0.550 1.00 0.00 H new ATOM 0 HG2 ARG A 127 2.987 -15.399 1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 127 2.692 -14.612 0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 127 1.175 -16.401 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.504 -17.002 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 127 2.938 -18.646 0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.805 -16.311 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 127 0.526 -17.393 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 127 2.498 -19.947 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 127 1.444 -19.364 3.978 1.00 0.00 H new ATOM 1718 N ARG A 128 7.771 -16.206 1.030 1.00 0.00 N ATOM 1719 CA ARG A 128 9.151 -16.453 0.576 1.00 0.00 C ATOM 1720 C ARG A 128 9.610 -17.883 0.887 1.00 0.00 C ATOM 1721 O ARG A 128 10.209 -18.500 0.013 1.00 0.00 O ATOM 1722 CB ARG A 128 10.084 -15.376 1.169 1.00 0.00 C ATOM 1723 CG ARG A 128 11.549 -15.534 0.731 1.00 0.00 C ATOM 1724 CD ARG A 128 12.474 -14.474 1.341 1.00 0.00 C ATOM 1725 NE ARG A 128 12.456 -13.197 0.595 1.00 0.00 N ATOM 1726 CZ ARG A 128 13.011 -12.058 0.976 1.00 0.00 C ATOM 1727 NH1 ARG A 128 13.526 -11.908 2.164 1.00 0.00 N ATOM 1728 NH2 ARG A 128 13.074 -11.039 0.167 1.00 0.00 N ATOM 0 H ARG A 128 7.694 -15.368 1.606 1.00 0.00 H new ATOM 0 HA ARG A 128 9.191 -16.372 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.727 -14.391 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.031 -15.418 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.903 -16.525 1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.606 -15.476 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.177 -14.290 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 128 13.493 -14.860 1.367 1.00 0.00 H new ATOM 0 HE ARG A 128 11.968 -13.194 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.508 -12.681 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.947 -11.017 2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.692 -11.112 -0.776 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.505 -10.168 0.477 1.00 0.00 H new