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 Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 4:sc= 0.0119 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.055) 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 K(o=0,f=-0.59) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0357) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc=-0.00525 X(o=-0.0053,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.0104 K(o=-0.01,f=-0.77) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 574 N ASN A 56 -3.676 18.012 8.932 1.00 0.00 N ATOM 575 CA ASN A 56 -2.725 17.470 7.950 1.00 0.00 C ATOM 576 C ASN A 56 -2.297 16.024 8.294 1.00 0.00 C ATOM 577 O ASN A 56 -1.889 15.277 7.404 1.00 0.00 O ATOM 578 CB ASN A 56 -1.518 18.419 7.805 1.00 0.00 C ATOM 579 CG ASN A 56 -1.773 19.564 6.836 1.00 0.00 C ATOM 580 OD1 ASN A 56 -1.208 19.628 5.753 1.00 0.00 O ATOM 581 ND2 ASN A 56 -2.632 20.499 7.174 1.00 0.00 N ATOM 0 HA ASN A 56 -3.226 17.410 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.265 18.828 8.783 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.654 17.849 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.823 21.271 6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.107 20.453 8.075 1.00 0.00 H new ATOM 588 N SER A 57 -2.443 15.587 9.553 1.00 0.00 N ATOM 589 CA SER A 57 -2.174 14.206 9.985 1.00 0.00 C ATOM 590 C SER A 57 -3.105 13.208 9.280 1.00 0.00 C ATOM 591 O SER A 57 -2.701 12.080 8.990 1.00 0.00 O ATOM 592 CB SER A 57 -2.313 14.094 11.507 1.00 0.00 C ATOM 593 OG SER A 57 -1.347 14.924 12.134 1.00 0.00 O ATOM 0 H SER A 57 -2.756 16.192 10.312 1.00 0.00 H new ATOM 0 HA SER A 57 -1.151 13.955 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.316 14.390 11.814 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.176 13.059 11.820 1.00 0.00 H new ATOM 0 HG SER A 57 -0.853 15.424 11.451 1.00 0.00 H new ATOM 599 N HIS A 58 -4.335 13.624 8.931 1.00 0.00 N ATOM 600 CA HIS A 58 -5.287 12.809 8.160 1.00 0.00 C ATOM 601 C HIS A 58 -4.741 12.505 6.760 1.00 0.00 C ATOM 602 O HIS A 58 -4.872 11.378 6.285 1.00 0.00 O ATOM 603 CB HIS A 58 -6.649 13.522 8.065 1.00 0.00 C ATOM 604 CG HIS A 58 -7.634 12.797 7.180 1.00 0.00 C ATOM 605 ND1 HIS A 58 -7.857 13.056 5.838 1.00 0.00 N ATOM 606 CD2 HIS A 58 -8.408 11.732 7.546 1.00 0.00 C ATOM 607 CE1 HIS A 58 -8.752 12.151 5.393 1.00 0.00 C ATOM 608 NE2 HIS A 58 -9.106 11.341 6.415 1.00 0.00 N ATOM 0 H HIS A 58 -4.698 14.544 9.179 1.00 0.00 H new ATOM 0 HA HIS A 58 -5.425 11.862 8.682 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.072 13.621 9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.499 14.531 7.681 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.465 11.282 8.526 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.126 12.084 4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.774 10.572 6.363 1.00 0.00 H new ATOM 617 N PHE A 59 -4.106 13.488 6.107 1.00 0.00 N ATOM 618 CA PHE A 59 -3.497 13.326 4.780 1.00 0.00 C ATOM 619 C PHE A 59 -2.483 12.180 4.779 1.00 0.00 C ATOM 620 O PHE A 59 -2.573 11.290 3.934 1.00 0.00 O ATOM 621 CB PHE A 59 -2.842 14.633 4.302 1.00 0.00 C ATOM 622 CG PHE A 59 -2.510 14.631 2.818 1.00 0.00 C ATOM 623 CD1 PHE A 59 -1.423 13.881 2.322 1.00 0.00 C ATOM 624 CD2 PHE A 59 -3.312 15.361 1.921 1.00 0.00 C ATOM 625 CE1 PHE A 59 -1.163 13.835 0.941 1.00 0.00 C ATOM 626 CE2 PHE A 59 -3.040 15.331 0.541 1.00 0.00 C ATOM 627 CZ PHE A 59 -1.972 14.561 0.049 1.00 0.00 C ATOM 0 H PHE A 59 -4.000 14.428 6.489 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.294 13.076 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.511 15.466 4.517 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.928 14.803 4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.787 13.339 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.140 15.947 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.342 13.242 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.653 15.901 -0.142 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.773 14.527 -1.012 1.00 0.00 H new ATOM 637 N PHE A 60 -1.555 12.173 5.744 1.00 0.00 N ATOM 638 CA PHE A 60 -0.577 11.099 5.916 1.00 0.00 C ATOM 639 C PHE A 60 -1.257 9.738 6.052 1.00 0.00 C ATOM 640 O PHE A 60 -0.947 8.828 5.292 1.00 0.00 O ATOM 641 CB PHE A 60 0.301 11.357 7.148 1.00 0.00 C ATOM 642 CG PHE A 60 1.149 10.154 7.534 1.00 0.00 C ATOM 643 CD1 PHE A 60 2.037 9.598 6.595 1.00 0.00 C ATOM 644 CD2 PHE A 60 0.978 9.523 8.783 1.00 0.00 C ATOM 645 CE1 PHE A 60 2.727 8.414 6.897 1.00 0.00 C ATOM 646 CE2 PHE A 60 1.693 8.350 9.092 1.00 0.00 C ATOM 647 CZ PHE A 60 2.561 7.791 8.141 1.00 0.00 C ATOM 0 H PHE A 60 -1.464 12.921 6.432 1.00 0.00 H new ATOM 0 HA PHE A 60 0.048 11.086 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.954 12.207 6.951 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.335 11.632 7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.188 10.083 5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.295 9.942 9.507 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.391 7.979 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.574 7.882 10.058 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.100 6.883 8.368 1.00 0.00 H new ATOM 657 N VAL A 61 -2.204 9.599 6.985 1.00 0.00 N ATOM 658 CA VAL A 61 -2.948 8.348 7.197 1.00 0.00 C ATOM 659 C VAL A 61 -3.613 7.878 5.897 1.00 0.00 C ATOM 660 O VAL A 61 -3.557 6.693 5.583 1.00 0.00 O ATOM 661 CB VAL A 61 -3.974 8.510 8.335 1.00 0.00 C ATOM 662 CG1 VAL A 61 -4.805 7.237 8.544 1.00 0.00 C ATOM 663 CG2 VAL A 61 -3.297 8.852 9.674 1.00 0.00 C ATOM 0 H VAL A 61 -2.479 10.351 7.617 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.241 7.575 7.498 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.623 9.330 8.027 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.515 7.395 9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.347 7.002 7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.144 6.408 8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.056 8.958 10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.608 8.053 9.948 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.747 9.788 9.575 1.00 0.00 H new ATOM 673 N ALA A 62 -4.176 8.795 5.102 1.00 0.00 N ATOM 674 CA ALA A 62 -4.789 8.493 3.806 1.00 0.00 C ATOM 675 C ALA A 62 -3.772 7.959 2.774 1.00 0.00 C ATOM 676 O ALA A 62 -3.938 6.856 2.246 1.00 0.00 O ATOM 677 CB ALA A 62 -5.532 9.736 3.292 1.00 0.00 C ATOM 0 H ALA A 62 -4.219 9.784 5.347 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.506 7.685 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.989 9.514 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.307 10.017 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.827 10.560 3.178 1.00 0.00 H new ATOM 683 N THR A 63 -2.707 8.719 2.488 1.00 0.00 N ATOM 684 CA THR A 63 -1.656 8.325 1.528 1.00 0.00 C ATOM 685 C THR A 63 -0.905 7.058 1.972 1.00 0.00 C ATOM 686 O THR A 63 -0.669 6.157 1.163 1.00 0.00 O ATOM 687 CB THR A 63 -0.708 9.504 1.226 1.00 0.00 C ATOM 688 OG1 THR A 63 0.170 9.194 0.164 1.00 0.00 O ATOM 689 CG2 THR A 63 0.160 9.963 2.383 1.00 0.00 C ATOM 0 H THR A 63 -2.545 9.631 2.916 1.00 0.00 H new ATOM 0 HA THR A 63 -2.149 8.064 0.592 1.00 0.00 H new ATOM 0 HB THR A 63 -1.396 10.313 0.981 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.759 9.959 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.786 10.795 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.475 10.285 3.209 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.793 9.139 2.712 1.00 0.00 H new ATOM 697 N PHE A 64 -0.617 6.920 3.272 1.00 0.00 N ATOM 698 CA PHE A 64 0.010 5.743 3.874 1.00 0.00 C ATOM 699 C PHE A 64 -0.882 4.504 3.748 1.00 0.00 C ATOM 700 O PHE A 64 -0.408 3.458 3.310 1.00 0.00 O ATOM 701 CB PHE A 64 0.360 6.029 5.341 1.00 0.00 C ATOM 702 CG PHE A 64 1.187 4.932 5.976 1.00 0.00 C ATOM 703 CD1 PHE A 64 2.592 4.980 5.904 1.00 0.00 C ATOM 704 CD2 PHE A 64 0.555 3.832 6.585 1.00 0.00 C ATOM 705 CE1 PHE A 64 3.356 3.902 6.380 1.00 0.00 C ATOM 706 CE2 PHE A 64 1.325 2.762 7.071 1.00 0.00 C ATOM 707 CZ PHE A 64 2.721 2.785 6.938 1.00 0.00 C ATOM 0 H PHE A 64 -0.822 7.650 3.954 1.00 0.00 H new ATOM 0 HA PHE A 64 0.930 5.529 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.907 6.970 5.402 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.561 6.158 5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.082 5.845 5.483 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.521 3.810 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.434 3.934 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.842 1.922 7.547 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.308 1.940 7.266 1.00 0.00 H new ATOM 717 N ALA A 65 -2.175 4.615 4.081 1.00 0.00 N ATOM 718 CA ALA A 65 -3.153 3.541 3.908 1.00 0.00 C ATOM 719 C ALA A 65 -3.203 3.052 2.453 1.00 0.00 C ATOM 720 O ALA A 65 -3.169 1.846 2.208 1.00 0.00 O ATOM 721 CB ALA A 65 -4.534 4.011 4.368 1.00 0.00 C ATOM 0 H ALA A 65 -2.572 5.464 4.482 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.842 2.698 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.256 3.205 4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.491 4.290 5.421 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.841 4.873 3.776 1.00 0.00 H new ATOM 727 N ARG A 66 -3.245 3.971 1.478 1.00 0.00 N ATOM 728 CA ARG A 66 -3.277 3.626 0.050 1.00 0.00 C ATOM 729 C ARG A 66 -2.006 2.906 -0.415 1.00 0.00 C ATOM 730 O ARG A 66 -2.101 1.920 -1.143 1.00 0.00 O ATOM 731 CB ARG A 66 -3.579 4.884 -0.781 1.00 0.00 C ATOM 732 CG ARG A 66 -4.228 4.509 -2.123 1.00 0.00 C ATOM 733 CD ARG A 66 -4.789 5.735 -2.852 1.00 0.00 C ATOM 734 NE ARG A 66 -3.730 6.554 -3.473 1.00 0.00 N ATOM 735 CZ ARG A 66 -3.849 7.791 -3.924 1.00 0.00 C ATOM 736 NH1 ARG A 66 -4.941 8.485 -3.767 1.00 0.00 N ATOM 737 NH2 ARG A 66 -2.863 8.360 -4.557 1.00 0.00 N ATOM 0 H ARG A 66 -3.258 4.975 1.658 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.082 2.908 -0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.243 5.543 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.657 5.437 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.491 4.016 -2.757 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.030 3.792 -1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.489 5.408 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.352 6.347 -2.147 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.811 6.121 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.740 8.076 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.997 9.437 -4.129 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.992 7.851 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.962 9.315 -4.902 1.00 0.00 H new ATOM 751 N GLU A 67 -0.829 3.347 0.034 1.00 0.00 N ATOM 752 CA GLU A 67 0.447 2.690 -0.263 1.00 0.00 C ATOM 753 C GLU A 67 0.551 1.313 0.408 1.00 0.00 C ATOM 754 O GLU A 67 0.758 0.319 -0.291 1.00 0.00 O ATOM 755 CB GLU A 67 1.618 3.584 0.164 1.00 0.00 C ATOM 756 CG GLU A 67 1.963 4.704 -0.830 1.00 0.00 C ATOM 757 CD GLU A 67 2.364 4.204 -2.237 1.00 0.00 C ATOM 758 OE1 GLU A 67 2.943 3.099 -2.381 1.00 0.00 O ATOM 759 OE2 GLU A 67 2.116 4.934 -3.226 1.00 0.00 O ATOM 0 H GLU A 67 -0.733 4.177 0.619 1.00 0.00 H new ATOM 0 HA GLU A 67 0.493 2.532 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.383 4.032 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.500 2.960 0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.104 5.368 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.781 5.298 -0.421 1.00 0.00 H new ATOM 766 N ARG A 68 0.373 1.224 1.739 1.00 0.00 N ATOM 767 CA ARG A 68 0.456 -0.048 2.483 1.00 0.00 C ATOM 768 C ARG A 68 -0.506 -1.086 1.912 1.00 0.00 C ATOM 769 O ARG A 68 -0.122 -2.238 1.732 1.00 0.00 O ATOM 770 CB ARG A 68 0.282 0.150 4.010 1.00 0.00 C ATOM 771 CG ARG A 68 -1.177 0.249 4.488 1.00 0.00 C ATOM 772 CD ARG A 68 -1.348 0.475 5.991 1.00 0.00 C ATOM 773 NE ARG A 68 -0.812 -0.650 6.783 1.00 0.00 N ATOM 774 CZ ARG A 68 -0.726 -0.739 8.098 1.00 0.00 C ATOM 775 NH1 ARG A 68 -1.134 0.217 8.883 1.00 0.00 N ATOM 776 NH2 ARG A 68 -0.210 -1.798 8.651 1.00 0.00 N ATOM 0 H ARG A 68 0.168 2.030 2.329 1.00 0.00 H new ATOM 0 HA ARG A 68 1.465 -0.439 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.763 -0.681 4.527 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.809 1.057 4.306 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.664 1.065 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.698 -0.668 4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.841 1.396 6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.405 0.608 6.220 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.468 -1.451 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.535 1.067 8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.053 0.116 9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.130 -2.563 8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.145 -1.863 9.667 1.00 0.00 H new ATOM 790 N ALA A 69 -1.728 -0.660 1.583 1.00 0.00 N ATOM 791 CA ALA A 69 -2.752 -1.510 0.986 1.00 0.00 C ATOM 792 C ALA A 69 -2.279 -2.091 -0.347 1.00 0.00 C ATOM 793 O ALA A 69 -2.381 -3.299 -0.538 1.00 0.00 O ATOM 794 CB ALA A 69 -4.061 -0.730 0.816 1.00 0.00 C ATOM 0 H ALA A 69 -2.035 0.302 1.728 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.937 -2.346 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.815 -1.378 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.409 -0.386 1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.891 0.129 0.167 1.00 0.00 H new ATOM 800 N ALA A 70 -1.719 -1.271 -1.244 1.00 0.00 N ATOM 801 CA ALA A 70 -1.202 -1.745 -2.526 1.00 0.00 C ATOM 802 C ALA A 70 -0.153 -2.855 -2.345 1.00 0.00 C ATOM 803 O ALA A 70 -0.257 -3.894 -2.995 1.00 0.00 O ATOM 804 CB ALA A 70 -0.651 -0.565 -3.349 1.00 0.00 C ATOM 0 H ALA A 70 -1.613 -0.267 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.028 -2.189 -3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.269 -0.933 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.449 0.155 -3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.155 -0.082 -2.797 1.00 0.00 H new ATOM 810 N VAL A 71 0.818 -2.678 -1.440 1.00 0.00 N ATOM 811 CA VAL A 71 1.835 -3.705 -1.149 1.00 0.00 C ATOM 812 C VAL A 71 1.218 -4.971 -0.558 1.00 0.00 C ATOM 813 O VAL A 71 1.475 -6.067 -1.049 1.00 0.00 O ATOM 814 CB VAL A 71 2.940 -3.199 -0.204 1.00 0.00 C ATOM 815 CG1 VAL A 71 4.074 -4.231 -0.161 1.00 0.00 C ATOM 816 CG2 VAL A 71 3.481 -1.845 -0.655 1.00 0.00 C ATOM 0 H VAL A 71 0.923 -1.825 -0.890 1.00 0.00 H new ATOM 0 HA VAL A 71 2.286 -3.941 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 71 2.515 -3.070 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.861 -3.879 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.687 -5.182 0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.482 -4.366 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.259 -1.516 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.898 -1.936 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.672 -1.114 -0.663 1.00 0.00 H new ATOM 826 N GLU A 72 0.397 -4.827 0.483 1.00 0.00 N ATOM 827 CA GLU A 72 -0.275 -5.932 1.177 1.00 0.00 C ATOM 828 C GLU A 72 -1.214 -6.724 0.242 1.00 0.00 C ATOM 829 O GLU A 72 -1.377 -7.932 0.398 1.00 0.00 O ATOM 830 CB GLU A 72 -1.006 -5.355 2.402 1.00 0.00 C ATOM 831 CG GLU A 72 -1.140 -6.320 3.589 1.00 0.00 C ATOM 832 CD GLU A 72 -2.489 -7.069 3.625 1.00 0.00 C ATOM 833 OE1 GLU A 72 -3.554 -6.409 3.708 1.00 0.00 O ATOM 834 OE2 GLU A 72 -2.494 -8.324 3.633 1.00 0.00 O ATOM 0 H GLU A 72 0.173 -3.914 0.879 1.00 0.00 H new ATOM 0 HA GLU A 72 0.465 -6.659 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.476 -4.463 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.003 -5.038 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.330 -7.048 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.019 -5.761 4.517 1.00 0.00 H new ATOM 841 N GLU A 73 -1.789 -6.069 -0.773 1.00 0.00 N ATOM 842 CA GLU A 73 -2.622 -6.686 -1.813 1.00 0.00 C ATOM 843 C GLU A 73 -1.783 -7.353 -2.921 1.00 0.00 C ATOM 844 O GLU A 73 -2.154 -8.416 -3.427 1.00 0.00 O ATOM 845 CB GLU A 73 -3.571 -5.629 -2.409 1.00 0.00 C ATOM 846 CG GLU A 73 -4.850 -6.266 -2.966 1.00 0.00 C ATOM 847 CD GLU A 73 -5.925 -5.210 -3.302 1.00 0.00 C ATOM 848 OE1 GLU A 73 -5.617 -4.200 -3.982 1.00 0.00 O ATOM 849 OE2 GLU A 73 -7.102 -5.393 -2.902 1.00 0.00 O ATOM 0 H GLU A 73 -1.684 -5.062 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.205 -7.479 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.832 -4.900 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.059 -5.086 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.610 -6.836 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.250 -6.971 -2.238 1.00 0.00 H new ATOM 856 N LEU A 74 -0.620 -6.781 -3.269 1.00 0.00 N ATOM 857 CA LEU A 74 0.339 -7.349 -4.230 1.00 0.00 C ATOM 858 C LEU A 74 0.830 -8.737 -3.779 1.00 0.00 C ATOM 859 O LEU A 74 1.133 -9.579 -4.620 1.00 0.00 O ATOM 860 CB LEU A 74 1.492 -6.344 -4.461 1.00 0.00 C ATOM 861 CG LEU A 74 2.289 -6.498 -5.774 1.00 0.00 C ATOM 862 CD1 LEU A 74 3.124 -5.234 -5.999 1.00 0.00 C ATOM 863 CD2 LEU A 74 3.223 -7.714 -5.812 1.00 0.00 C ATOM 0 H LEU A 74 -0.313 -5.889 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.157 -7.510 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.077 -5.336 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.189 -6.427 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 74 1.550 -6.651 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.691 -5.333 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.464 -4.369 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.812 -5.099 -5.164 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.742 -7.744 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.953 -7.638 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.639 -8.626 -5.687 1.00 0.00 H new ATOM 875 N LEU A 75 0.820 -9.025 -2.470 1.00 0.00 N ATOM 876 CA LEU A 75 1.160 -10.341 -1.910 1.00 0.00 C ATOM 877 C LEU A 75 0.321 -11.485 -2.518 1.00 0.00 C ATOM 878 O LEU A 75 0.821 -12.602 -2.644 1.00 0.00 O ATOM 879 CB LEU A 75 1.012 -10.335 -0.376 1.00 0.00 C ATOM 880 CG LEU A 75 1.758 -9.217 0.374 1.00 0.00 C ATOM 881 CD1 LEU A 75 1.586 -9.403 1.878 1.00 0.00 C ATOM 882 CD2 LEU A 75 3.255 -9.198 0.078 1.00 0.00 C ATOM 0 H LEU A 75 0.571 -8.338 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 75 2.201 -10.530 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.048 -10.261 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.360 -11.295 0.006 1.00 0.00 H new ATOM 0 HG LEU A 75 1.327 -8.277 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.116 -8.610 2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.526 -9.363 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.993 -10.370 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.726 -8.388 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.697 -10.149 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.413 -9.043 -0.989 1.00 0.00 H new ATOM 894 N GLU A 76 -0.937 -11.234 -2.905 1.00 0.00 N ATOM 895 CA GLU A 76 -1.788 -12.214 -3.590 1.00 0.00 C ATOM 896 C GLU A 76 -1.480 -12.298 -5.100 1.00 0.00 C ATOM 897 O GLU A 76 -1.543 -13.384 -5.681 1.00 0.00 O ATOM 898 CB GLU A 76 -3.271 -11.859 -3.388 1.00 0.00 C ATOM 899 CG GLU A 76 -3.864 -12.487 -2.119 1.00 0.00 C ATOM 900 CD GLU A 76 -5.405 -12.508 -2.186 1.00 0.00 C ATOM 901 OE1 GLU A 76 -6.055 -11.511 -1.785 1.00 0.00 O ATOM 902 OE2 GLU A 76 -5.980 -13.528 -2.639 1.00 0.00 O ATOM 0 H GLU A 76 -1.396 -10.336 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.575 -13.189 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.377 -10.775 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.842 -12.193 -4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.487 -13.503 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.541 -11.923 -1.244 1.00 0.00 H new ATOM 909 N ARG A 77 -1.124 -11.173 -5.741 1.00 0.00 N ATOM 910 CA ARG A 77 -0.700 -11.103 -7.158 1.00 0.00 C ATOM 911 C ARG A 77 0.707 -11.666 -7.414 1.00 0.00 C ATOM 912 O ARG A 77 1.048 -11.949 -8.564 1.00 0.00 O ATOM 913 CB ARG A 77 -0.767 -9.651 -7.667 1.00 0.00 C ATOM 914 CG ARG A 77 -2.194 -9.084 -7.739 1.00 0.00 C ATOM 915 CD ARG A 77 -2.163 -7.719 -8.438 1.00 0.00 C ATOM 916 NE ARG A 77 -3.498 -7.090 -8.500 1.00 0.00 N ATOM 917 CZ ARG A 77 -3.831 -6.010 -9.187 1.00 0.00 C ATOM 918 NH1 ARG A 77 -2.980 -5.383 -9.951 1.00 0.00 N ATOM 919 NH2 ARG A 77 -5.038 -5.528 -9.119 1.00 0.00 N ATOM 0 H ARG A 77 -1.121 -10.262 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 77 -1.399 -11.734 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.167 -9.018 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.316 -9.602 -8.658 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.843 -9.770 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.608 -8.982 -6.736 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.477 -7.058 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.774 -7.840 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.239 -7.534 -7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.022 -5.723 -10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -3.273 -4.553 -10.466 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.737 -5.984 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.285 -4.695 -9.653 1.00 0.00 H new ATOM 933 N ALA A 78 1.531 -11.816 -6.377 1.00 0.00 N ATOM 934 CA ALA A 78 2.884 -12.370 -6.434 1.00 0.00 C ATOM 935 C ALA A 78 2.902 -13.888 -6.728 1.00 0.00 C ATOM 936 O ALA A 78 3.035 -14.722 -5.831 1.00 0.00 O ATOM 937 CB ALA A 78 3.636 -11.989 -5.150 1.00 0.00 C ATOM 0 H ALA A 78 1.262 -11.542 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 78 3.409 -11.930 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.646 -12.398 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.687 -10.903 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.110 -12.395 -4.286 1.00 0.00 H new ATOM 943 N GLU A 79 2.787 -14.245 -8.011 1.00 0.00 N ATOM 944 CA GLU A 79 2.880 -15.619 -8.517 1.00 0.00 C ATOM 945 C GLU A 79 4.308 -16.204 -8.448 1.00 0.00 C ATOM 946 O GLU A 79 4.467 -17.414 -8.275 1.00 0.00 O ATOM 947 CB GLU A 79 2.337 -15.626 -9.958 1.00 0.00 C ATOM 948 CG GLU A 79 2.337 -17.025 -10.585 1.00 0.00 C ATOM 949 CD GLU A 79 1.309 -17.143 -11.728 1.00 0.00 C ATOM 950 OE1 GLU A 79 0.097 -17.305 -11.443 1.00 0.00 O ATOM 951 OE2 GLU A 79 1.702 -17.095 -12.920 1.00 0.00 O ATOM 0 H GLU A 79 2.621 -13.563 -8.751 1.00 0.00 H new ATOM 0 HA GLU A 79 2.283 -16.268 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.321 -15.231 -9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.940 -14.957 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.332 -17.251 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.114 -17.767 -9.818 1.00 0.00 H new ATOM 958 N SER A 80 5.338 -15.351 -8.544 1.00 0.00 N ATOM 959 CA SER A 80 6.763 -15.734 -8.554 1.00 0.00 C ATOM 960 C SER A 80 7.634 -14.752 -7.757 1.00 0.00 C ATOM 961 O SER A 80 7.207 -13.640 -7.433 1.00 0.00 O ATOM 962 CB SER A 80 7.278 -15.825 -10.002 1.00 0.00 C ATOM 963 OG SER A 80 6.582 -16.820 -10.737 1.00 0.00 O ATOM 0 H SER A 80 5.201 -14.343 -8.619 1.00 0.00 H new ATOM 0 HA SER A 80 6.837 -16.709 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.161 -14.859 -10.493 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.344 -16.053 -9.997 1.00 0.00 H new ATOM 0 HG SER A 80 6.930 -16.853 -11.653 1.00 0.00 H new ATOM 969 N VAL A 81 8.888 -15.138 -7.478 1.00 0.00 N ATOM 970 CA VAL A 81 9.879 -14.333 -6.726 1.00 0.00 C ATOM 971 C VAL A 81 10.125 -12.954 -7.375 1.00 0.00 C ATOM 972 O VAL A 81 10.375 -11.974 -6.680 1.00 0.00 O ATOM 973 CB VAL A 81 11.211 -15.101 -6.548 1.00 0.00 C ATOM 974 CG1 VAL A 81 12.177 -14.372 -5.604 1.00 0.00 C ATOM 975 CG2 VAL A 81 11.004 -16.499 -5.941 1.00 0.00 C ATOM 0 H VAL A 81 9.257 -16.042 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 81 9.453 -14.155 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 81 11.623 -15.171 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.098 -14.948 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.406 -13.386 -6.008 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.715 -14.264 -4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.968 -16.997 -5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.536 -16.405 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.361 -17.088 -6.595 1.00 0.00 H new ATOM 985 N GLU A 82 9.970 -12.836 -8.698 1.00 0.00 N ATOM 986 CA GLU A 82 10.065 -11.564 -9.444 1.00 0.00 C ATOM 987 C GLU A 82 9.115 -10.479 -8.899 1.00 0.00 C ATOM 988 O GLU A 82 9.538 -9.356 -8.609 1.00 0.00 O ATOM 989 CB GLU A 82 9.770 -11.818 -10.934 1.00 0.00 C ATOM 990 CG GLU A 82 10.924 -12.501 -11.687 1.00 0.00 C ATOM 991 CD GLU A 82 12.172 -11.610 -11.891 1.00 0.00 C ATOM 992 OE1 GLU A 82 12.081 -10.360 -11.810 1.00 0.00 O ATOM 993 OE2 GLU A 82 13.263 -12.165 -12.170 1.00 0.00 O ATOM 0 H GLU A 82 9.770 -13.636 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 82 11.081 -11.189 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.877 -12.437 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.545 -10.867 -11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.218 -13.397 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.562 -12.827 -12.662 1.00 0.00 H new ATOM 1000 N ARG A 83 7.828 -10.813 -8.724 1.00 0.00 N ATOM 1001 CA ARG A 83 6.815 -9.928 -8.114 1.00 0.00 C ATOM 1002 C ARG A 83 7.057 -9.709 -6.620 1.00 0.00 C ATOM 1003 O ARG A 83 6.784 -8.623 -6.106 1.00 0.00 O ATOM 1004 CB ARG A 83 5.414 -10.519 -8.339 1.00 0.00 C ATOM 1005 CG ARG A 83 4.858 -10.242 -9.743 1.00 0.00 C ATOM 1006 CD ARG A 83 4.295 -8.816 -9.826 1.00 0.00 C ATOM 1007 NE ARG A 83 3.851 -8.469 -11.190 1.00 0.00 N ATOM 1008 CZ ARG A 83 2.703 -8.758 -11.776 1.00 0.00 C ATOM 1009 NH1 ARG A 83 1.783 -9.481 -11.198 1.00 0.00 N ATOM 1010 NH2 ARG A 83 2.453 -8.319 -12.976 1.00 0.00 N ATOM 0 H ARG A 83 7.452 -11.719 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 83 6.893 -8.954 -8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.451 -11.596 -8.176 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.730 -10.108 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.646 -10.372 -10.485 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.075 -10.963 -9.979 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.456 -8.718 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.057 -8.107 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 83 4.516 -7.938 -11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.937 -9.846 -10.258 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.910 -9.681 -11.686 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.144 -7.751 -13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.566 -8.543 -13.427 1.00 0.00 H new ATOM 1024 N LEU A 84 7.594 -10.716 -5.930 1.00 0.00 N ATOM 1025 CA LEU A 84 7.969 -10.629 -4.520 1.00 0.00 C ATOM 1026 C LEU A 84 9.014 -9.520 -4.270 1.00 0.00 C ATOM 1027 O LEU A 84 8.843 -8.690 -3.378 1.00 0.00 O ATOM 1028 CB LEU A 84 8.473 -12.004 -4.044 1.00 0.00 C ATOM 1029 CG LEU A 84 8.402 -12.101 -2.517 1.00 0.00 C ATOM 1030 CD1 LEU A 84 7.082 -12.714 -2.047 1.00 0.00 C ATOM 1031 CD2 LEU A 84 9.546 -12.929 -1.961 1.00 0.00 C ATOM 0 H LEU A 84 7.783 -11.629 -6.343 1.00 0.00 H new ATOM 0 HA LEU A 84 7.089 -10.353 -3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.871 -12.794 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.500 -12.157 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 84 8.475 -11.080 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.072 -12.765 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.252 -12.096 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.980 -13.718 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.466 -12.978 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.500 -13.937 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.495 -12.468 -2.234 1.00 0.00 H new ATOM 1043 N GLU A 85 10.077 -9.472 -5.080 1.00 0.00 N ATOM 1044 CA GLU A 85 11.123 -8.438 -5.013 1.00 0.00 C ATOM 1045 C GLU A 85 10.564 -7.013 -5.191 1.00 0.00 C ATOM 1046 O GLU A 85 10.957 -6.096 -4.467 1.00 0.00 O ATOM 1047 CB GLU A 85 12.203 -8.695 -6.079 1.00 0.00 C ATOM 1048 CG GLU A 85 13.060 -9.939 -5.802 1.00 0.00 C ATOM 1049 CD GLU A 85 14.033 -10.257 -6.962 1.00 0.00 C ATOM 1050 OE1 GLU A 85 14.536 -9.322 -7.634 1.00 0.00 O ATOM 1051 OE2 GLU A 85 14.338 -11.453 -7.189 1.00 0.00 O ATOM 0 H GLU A 85 10.240 -10.161 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 85 11.557 -8.503 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.723 -8.805 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.854 -7.823 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.630 -9.787 -4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.408 -10.796 -5.634 1.00 0.00 H new ATOM 1058 N GLU A 86 9.627 -6.817 -6.126 1.00 0.00 N ATOM 1059 CA GLU A 86 8.938 -5.538 -6.345 1.00 0.00 C ATOM 1060 C GLU A 86 8.161 -5.080 -5.097 1.00 0.00 C ATOM 1061 O GLU A 86 8.343 -3.949 -4.642 1.00 0.00 O ATOM 1062 CB GLU A 86 8.035 -5.640 -7.587 1.00 0.00 C ATOM 1063 CG GLU A 86 7.293 -4.331 -7.891 1.00 0.00 C ATOM 1064 CD GLU A 86 6.551 -4.418 -9.239 1.00 0.00 C ATOM 1065 OE1 GLU A 86 5.506 -5.106 -9.320 1.00 0.00 O ATOM 1066 OE2 GLU A 86 7.006 -3.787 -10.226 1.00 0.00 O ATOM 0 H GLU A 86 9.321 -7.553 -6.762 1.00 0.00 H new ATOM 0 HA GLU A 86 9.687 -4.768 -6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.641 -5.918 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.308 -6.438 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.582 -4.118 -7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.002 -3.504 -7.915 1.00 0.00 H new ATOM 1073 N ALA A 87 7.343 -5.952 -4.497 1.00 0.00 N ATOM 1074 CA ALA A 87 6.633 -5.660 -3.247 1.00 0.00 C ATOM 1075 C ALA A 87 7.579 -5.229 -2.104 1.00 0.00 C ATOM 1076 O ALA A 87 7.270 -4.288 -1.367 1.00 0.00 O ATOM 1077 CB ALA A 87 5.792 -6.884 -2.870 1.00 0.00 C ATOM 0 H ALA A 87 7.154 -6.884 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 87 5.980 -4.802 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.256 -6.685 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.076 -7.092 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.445 -7.746 -2.735 1.00 0.00 H new ATOM 1083 N ALA A 88 8.762 -5.845 -1.992 1.00 0.00 N ATOM 1084 CA ALA A 88 9.781 -5.447 -1.015 1.00 0.00 C ATOM 1085 C ALA A 88 10.355 -4.034 -1.245 1.00 0.00 C ATOM 1086 O ALA A 88 10.799 -3.384 -0.302 1.00 0.00 O ATOM 1087 CB ALA A 88 10.913 -6.484 -0.987 1.00 0.00 C ATOM 0 H ALA A 88 9.039 -6.634 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 88 9.278 -5.410 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.666 -6.181 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.508 -7.457 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.370 -6.551 -1.975 1.00 0.00 H new ATOM 1093 N SER A 89 10.332 -3.530 -2.480 1.00 0.00 N ATOM 1094 CA SER A 89 10.747 -2.161 -2.819 1.00 0.00 C ATOM 1095 C SER A 89 9.630 -1.161 -2.525 1.00 0.00 C ATOM 1096 O SER A 89 9.890 -0.100 -1.953 1.00 0.00 O ATOM 1097 CB SER A 89 11.167 -2.093 -4.294 1.00 0.00 C ATOM 1098 OG SER A 89 11.559 -0.780 -4.664 1.00 0.00 O ATOM 0 H SER A 89 10.020 -4.068 -3.289 1.00 0.00 H new ATOM 0 HA SER A 89 11.602 -1.893 -2.198 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.992 -2.783 -4.471 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.339 -2.418 -4.924 1.00 0.00 H new ATOM 0 HG SER A 89 11.822 -0.771 -5.608 1.00 0.00 H new ATOM 1104 N ARG A 90 8.371 -1.515 -2.824 1.00 0.00 N ATOM 1105 CA ARG A 90 7.206 -0.682 -2.489 1.00 0.00 C ATOM 1106 C ARG A 90 7.126 -0.383 -0.989 1.00 0.00 C ATOM 1107 O ARG A 90 6.930 0.772 -0.614 1.00 0.00 O ATOM 1108 CB ARG A 90 5.904 -1.325 -2.989 1.00 0.00 C ATOM 1109 CG ARG A 90 5.777 -1.505 -4.510 1.00 0.00 C ATOM 1110 CD ARG A 90 6.010 -0.213 -5.302 1.00 0.00 C ATOM 1111 NE ARG A 90 5.112 0.882 -4.869 1.00 0.00 N ATOM 1112 CZ ARG A 90 5.031 2.096 -5.380 1.00 0.00 C ATOM 1113 NH1 ARG A 90 5.736 2.454 -6.417 1.00 0.00 N ATOM 1114 NH2 ARG A 90 4.241 2.986 -4.859 1.00 0.00 N ATOM 0 H ARG A 90 8.132 -2.383 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 90 7.336 0.270 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.802 -2.303 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 90 5.067 -0.717 -2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.493 -2.258 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.783 -1.888 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.047 0.102 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.856 -0.408 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 90 4.487 0.675 -4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.372 1.788 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.652 3.400 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.674 2.750 -4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.188 3.921 -5.264 1.00 0.00 H new ATOM 1128 N LEU A 91 7.342 -1.386 -0.128 1.00 0.00 N ATOM 1129 CA LEU A 91 7.390 -1.166 1.325 1.00 0.00 C ATOM 1130 C LEU A 91 8.618 -0.341 1.754 1.00 0.00 C ATOM 1131 O LEU A 91 8.497 0.504 2.635 1.00 0.00 O ATOM 1132 CB LEU A 91 7.215 -2.499 2.076 1.00 0.00 C ATOM 1133 CG LEU A 91 8.479 -3.329 2.349 1.00 0.00 C ATOM 1134 CD1 LEU A 91 9.134 -2.956 3.683 1.00 0.00 C ATOM 1135 CD2 LEU A 91 8.115 -4.813 2.386 1.00 0.00 C ATOM 0 H LEU A 91 7.486 -2.355 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 91 6.544 -0.543 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.739 -2.286 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.522 -3.118 1.506 1.00 0.00 H new ATOM 0 HG LEU A 91 9.187 -3.120 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 91 10.024 -3.567 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.415 -1.903 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.430 -3.132 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.011 -5.403 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.387 -4.989 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.687 -5.107 1.427 1.00 0.00 H new ATOM 1147 N GLN A 92 9.783 -0.518 1.116 1.00 0.00 N ATOM 1148 CA GLN A 92 10.968 0.306 1.396 1.00 0.00 C ATOM 1149 C GLN A 92 10.778 1.782 1.005 1.00 0.00 C ATOM 1150 O GLN A 92 11.404 2.662 1.593 1.00 0.00 O ATOM 1151 CB GLN A 92 12.223 -0.273 0.720 1.00 0.00 C ATOM 1152 CG GLN A 92 12.838 -1.428 1.528 1.00 0.00 C ATOM 1153 CD GLN A 92 14.267 -1.788 1.110 1.00 0.00 C ATOM 1154 OE1 GLN A 92 14.883 -1.196 0.230 1.00 0.00 O ATOM 1155 NE2 GLN A 92 14.876 -2.765 1.750 1.00 0.00 N ATOM 0 H GLN A 92 9.931 -1.228 0.399 1.00 0.00 H new ATOM 0 HA GLN A 92 11.107 0.279 2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.965 -0.627 -0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.964 0.517 0.597 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.836 -1.160 2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.206 -2.310 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.388 -3.274 2.486 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.836 -3.012 1.509 1.00 0.00 H new ATOM 1164 N GLY A 93 9.881 2.073 0.064 1.00 0.00 N ATOM 1165 CA GLY A 93 9.515 3.433 -0.339 1.00 0.00 C ATOM 1166 C GLY A 93 8.589 4.141 0.657 1.00 0.00 C ATOM 1167 O GLY A 93 8.634 5.368 0.765 1.00 0.00 O ATOM 0 H GLY A 93 9.376 1.353 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.423 4.024 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.026 3.395 -1.313 1.00 0.00 H new ATOM 1171 N LEU A 94 7.792 3.395 1.434 1.00 0.00 N ATOM 1172 CA LEU A 94 6.905 3.955 2.464 1.00 0.00 C ATOM 1173 C LEU A 94 7.668 4.706 3.567 1.00 0.00 C ATOM 1174 O LEU A 94 7.149 5.694 4.078 1.00 0.00 O ATOM 1175 CB LEU A 94 6.010 2.856 3.076 1.00 0.00 C ATOM 1176 CG LEU A 94 4.578 2.784 2.524 1.00 0.00 C ATOM 1177 CD1 LEU A 94 3.834 1.636 3.206 1.00 0.00 C ATOM 1178 CD2 LEU A 94 3.801 4.076 2.800 1.00 0.00 C ATOM 0 H LEU A 94 7.744 2.378 1.365 1.00 0.00 H new ATOM 0 HA LEU A 94 6.274 4.688 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.491 1.891 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.958 3.013 4.153 1.00 0.00 H new ATOM 0 HG LEU A 94 4.645 2.632 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.817 1.580 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.351 0.697 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.803 1.811 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.793 3.988 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.747 4.245 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.310 4.915 2.326 1.00 0.00 H new ATOM 1190 N GLN A 95 8.899 4.310 3.919 1.00 0.00 N ATOM 1191 CA GLN A 95 9.670 4.979 4.981 1.00 0.00 C ATOM 1192 C GLN A 95 9.979 6.445 4.637 1.00 0.00 C ATOM 1193 O GLN A 95 10.032 7.300 5.521 1.00 0.00 O ATOM 1194 CB GLN A 95 10.944 4.184 5.327 1.00 0.00 C ATOM 1195 CG GLN A 95 12.119 4.368 4.352 1.00 0.00 C ATOM 1196 CD GLN A 95 13.183 3.272 4.470 1.00 0.00 C ATOM 1197 OE1 GLN A 95 13.323 2.577 5.470 1.00 0.00 O ATOM 1198 NE2 GLN A 95 13.999 3.083 3.454 1.00 0.00 N ATOM 0 H GLN A 95 9.385 3.527 3.483 1.00 0.00 H new ATOM 0 HA GLN A 95 9.045 4.999 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 95 11.273 4.473 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.691 3.125 5.369 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.736 4.384 3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.584 5.337 4.533 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.903 3.649 2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 95 14.727 2.371 3.510 1.00 0.00 H new ATOM 1207 N LYS A 96 10.134 6.748 3.339 1.00 0.00 N ATOM 1208 CA LYS A 96 10.446 8.077 2.797 1.00 0.00 C ATOM 1209 C LYS A 96 9.326 9.094 3.053 1.00 0.00 C ATOM 1210 O LYS A 96 9.606 10.257 3.334 1.00 0.00 O ATOM 1211 CB LYS A 96 10.765 7.931 1.298 1.00 0.00 C ATOM 1212 CG LYS A 96 11.576 9.125 0.774 1.00 0.00 C ATOM 1213 CD LYS A 96 12.004 8.947 -0.693 1.00 0.00 C ATOM 1214 CE LYS A 96 10.866 9.052 -1.721 1.00 0.00 C ATOM 1215 NZ LYS A 96 10.245 10.405 -1.742 1.00 0.00 N ATOM 0 H LYS A 96 10.041 6.042 2.608 1.00 0.00 H new ATOM 0 HA LYS A 96 11.317 8.476 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.324 7.010 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.836 7.846 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.981 10.034 0.868 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.462 9.259 1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.757 9.699 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.481 7.973 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.253 8.817 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.103 8.308 -1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.542 10.452 -2.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.778 10.587 -0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.981 11.122 -1.903 1.00 0.00 H new ATOM 1229 N LEU A 97 8.067 8.646 3.011 1.00 0.00 N ATOM 1230 CA LEU A 97 6.873 9.427 3.327 1.00 0.00 C ATOM 1231 C LEU A 97 6.922 9.937 4.778 1.00 0.00 C ATOM 1232 O LEU A 97 6.816 11.142 5.009 1.00 0.00 O ATOM 1233 CB LEU A 97 5.653 8.535 3.034 1.00 0.00 C ATOM 1234 CG LEU A 97 4.316 9.025 3.586 1.00 0.00 C ATOM 1235 CD1 LEU A 97 3.923 10.422 3.114 1.00 0.00 C ATOM 1236 CD2 LEU A 97 3.234 8.010 3.216 1.00 0.00 C ATOM 0 H LEU A 97 7.846 7.687 2.744 1.00 0.00 H new ATOM 0 HA LEU A 97 6.808 10.324 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.559 8.426 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.848 7.542 3.439 1.00 0.00 H new ATOM 0 HG LEU A 97 4.422 9.107 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.962 10.696 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.682 11.139 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.844 10.430 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.272 8.346 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.176 7.919 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.481 7.041 3.649 1.00 0.00 H new ATOM 1248 N ILE A 98 7.118 9.037 5.750 1.00 0.00 N ATOM 1249 CA ILE A 98 7.251 9.429 7.163 1.00 0.00 C ATOM 1250 C ILE A 98 8.515 10.268 7.367 1.00 0.00 C ATOM 1251 O ILE A 98 8.436 11.314 7.997 1.00 0.00 O ATOM 1252 CB ILE A 98 7.244 8.229 8.133 1.00 0.00 C ATOM 1253 CG1 ILE A 98 6.069 7.264 7.864 1.00 0.00 C ATOM 1254 CG2 ILE A 98 7.145 8.701 9.591 1.00 0.00 C ATOM 1255 CD1 ILE A 98 6.553 5.991 7.187 1.00 0.00 C ATOM 0 H ILE A 98 7.188 8.033 5.586 1.00 0.00 H new ATOM 0 HA ILE A 98 6.371 10.026 7.401 1.00 0.00 H new ATOM 0 HB ILE A 98 8.184 7.702 7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.576 7.015 8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.327 7.755 7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.142 7.836 10.254 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.999 9.336 9.827 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.224 9.267 9.729 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.706 5.329 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.024 6.241 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.277 5.490 7.830 1.00 0.00 H new ATOM 1267 N ASN A 99 9.664 9.860 6.814 1.00 0.00 N ATOM 1268 CA ASN A 99 10.943 10.570 6.935 1.00 0.00 C ATOM 1269 C ASN A 99 10.869 12.054 6.515 1.00 0.00 C ATOM 1270 O ASN A 99 11.573 12.888 7.084 1.00 0.00 O ATOM 1271 CB ASN A 99 12.001 9.806 6.122 1.00 0.00 C ATOM 1272 CG ASN A 99 13.381 10.437 6.219 1.00 0.00 C ATOM 1273 OD1 ASN A 99 14.058 10.353 7.234 1.00 0.00 O ATOM 1274 ND2 ASN A 99 13.851 11.075 5.169 1.00 0.00 N ATOM 0 H ASN A 99 9.732 9.008 6.258 1.00 0.00 H new ATOM 0 HA ASN A 99 11.219 10.593 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.051 8.776 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 99 11.695 9.770 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.778 11.498 5.202 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.288 11.146 4.321 1.00 0.00 H new ATOM 1281 N ASP A 100 10.007 12.402 5.553 1.00 0.00 N ATOM 1282 CA ASP A 100 9.777 13.797 5.146 1.00 0.00 C ATOM 1283 C ASP A 100 9.055 14.629 6.229 1.00 0.00 C ATOM 1284 O ASP A 100 9.478 15.743 6.546 1.00 0.00 O ATOM 1285 CB ASP A 100 8.993 13.828 3.828 1.00 0.00 C ATOM 1286 CG ASP A 100 8.944 15.252 3.245 1.00 0.00 C ATOM 1287 OD1 ASP A 100 10.010 15.774 2.839 1.00 0.00 O ATOM 1288 OD2 ASP A 100 7.843 15.847 3.174 1.00 0.00 O ATOM 0 H ASP A 100 9.448 11.726 5.033 1.00 0.00 H new ATOM 0 HA ASP A 100 10.754 14.260 5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.458 13.153 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.979 13.465 3.996 1.00 0.00 H new ATOM 1293 N SER A 101 7.989 14.079 6.823 1.00 0.00 N ATOM 1294 CA SER A 101 7.121 14.721 7.831 1.00 0.00 C ATOM 1295 C SER A 101 7.355 14.182 9.257 1.00 0.00 C ATOM 1296 O SER A 101 6.471 14.235 10.110 1.00 0.00 O ATOM 1297 CB SER A 101 5.637 14.605 7.428 1.00 0.00 C ATOM 1298 OG SER A 101 5.425 14.932 6.060 1.00 0.00 O ATOM 0 H SER A 101 7.690 13.128 6.607 1.00 0.00 H new ATOM 0 HA SER A 101 7.395 15.776 7.855 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.290 13.589 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.039 15.267 8.055 1.00 0.00 H new ATOM 0 HG SER A 101 4.473 14.844 5.846 1.00 0.00 H new ATOM 1304 N VAL A 102 8.540 13.641 9.546 1.00 0.00 N ATOM 1305 CA VAL A 102 8.859 12.925 10.796 1.00 0.00 C ATOM 1306 C VAL A 102 8.728 13.802 12.043 1.00 0.00 C ATOM 1307 O VAL A 102 8.163 13.376 13.049 1.00 0.00 O ATOM 1308 CB VAL A 102 10.254 12.276 10.705 1.00 0.00 C ATOM 1309 CG1 VAL A 102 11.381 13.288 10.467 1.00 0.00 C ATOM 1310 CG2 VAL A 102 10.572 11.462 11.960 1.00 0.00 C ATOM 0 H VAL A 102 9.331 13.687 8.903 1.00 0.00 H new ATOM 0 HA VAL A 102 8.114 12.138 10.909 1.00 0.00 H new ATOM 0 HB VAL A 102 10.209 11.618 9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.335 12.764 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.204 13.816 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.406 14.004 11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.563 11.017 11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.550 12.115 12.832 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.830 10.672 12.079 1.00 0.00 H new ATOM 1320 N PHE A 103 9.193 15.050 11.963 1.00 0.00 N ATOM 1321 CA PHE A 103 9.068 16.059 13.020 1.00 0.00 C ATOM 1322 C PHE A 103 7.659 16.670 13.093 1.00 0.00 C ATOM 1323 O PHE A 103 7.369 17.459 13.997 1.00 0.00 O ATOM 1324 CB PHE A 103 10.116 17.157 12.782 1.00 0.00 C ATOM 1325 CG PHE A 103 11.530 16.644 12.560 1.00 0.00 C ATOM 1326 CD1 PHE A 103 12.116 15.751 13.478 1.00 0.00 C ATOM 1327 CD2 PHE A 103 12.249 17.034 11.413 1.00 0.00 C ATOM 1328 CE1 PHE A 103 13.409 15.249 13.250 1.00 0.00 C ATOM 1329 CE2 PHE A 103 13.544 16.535 11.187 1.00 0.00 C ATOM 1330 CZ PHE A 103 14.124 15.642 12.105 1.00 0.00 C ATOM 0 H PHE A 103 9.681 15.398 11.138 1.00 0.00 H new ATOM 0 HA PHE A 103 9.240 15.568 13.978 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.816 17.745 11.915 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.118 17.831 13.639 1.00 0.00 H new ATOM 0 HD1 PHE A 103 11.570 15.451 14.360 1.00 0.00 H new ATOM 0 HD2 PHE A 103 11.804 17.718 10.705 1.00 0.00 H new ATOM 0 HE1 PHE A 103 13.853 14.561 13.954 1.00 0.00 H new ATOM 0 HE2 PHE A 103 14.093 16.838 10.308 1.00 0.00 H new ATOM 0 HZ PHE A 103 15.118 15.258 11.931 1.00 0.00 H new ATOM 1340 N PHE A 104 6.784 16.313 12.146 1.00 0.00 N ATOM 1341 CA PHE A 104 5.395 16.782 12.087 1.00 0.00 C ATOM 1342 C PHE A 104 4.443 15.753 12.714 1.00 0.00 C ATOM 1343 O PHE A 104 3.587 16.112 13.529 1.00 0.00 O ATOM 1344 CB PHE A 104 5.027 17.130 10.634 1.00 0.00 C ATOM 1345 CG PHE A 104 3.544 17.118 10.351 1.00 0.00 C ATOM 1346 CD1 PHE A 104 2.763 18.255 10.630 1.00 0.00 C ATOM 1347 CD2 PHE A 104 2.939 15.941 9.873 1.00 0.00 C ATOM 1348 CE1 PHE A 104 1.372 18.204 10.454 1.00 0.00 C ATOM 1349 CE2 PHE A 104 1.549 15.889 9.697 1.00 0.00 C ATOM 1350 CZ PHE A 104 0.773 17.016 10.002 1.00 0.00 C ATOM 0 H PHE A 104 7.026 15.678 11.385 1.00 0.00 H new ATOM 0 HA PHE A 104 5.291 17.692 12.678 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.423 18.118 10.398 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.518 16.422 9.967 1.00 0.00 H new ATOM 0 HD1 PHE A 104 3.233 19.163 10.978 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.545 15.078 9.642 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.765 19.072 10.665 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.080 14.988 9.330 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.300 16.970 9.888 1.00 0.00 H new ATOM 1360 N LEU A 105 4.608 14.474 12.369 1.00 0.00 N ATOM 1361 CA LEU A 105 3.860 13.364 12.952 1.00 0.00 C ATOM 1362 C LEU A 105 4.138 13.234 14.457 1.00 0.00 C ATOM 1363 O LEU A 105 5.287 13.308 14.901 1.00 0.00 O ATOM 1364 CB LEU A 105 4.219 12.076 12.191 1.00 0.00 C ATOM 1365 CG LEU A 105 3.765 12.101 10.717 1.00 0.00 C ATOM 1366 CD1 LEU A 105 4.265 10.854 10.008 1.00 0.00 C ATOM 1367 CD2 LEU A 105 2.248 12.190 10.575 1.00 0.00 C ATOM 0 H LEU A 105 5.280 14.178 11.661 1.00 0.00 H new ATOM 0 HA LEU A 105 2.791 13.550 12.853 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.298 11.926 12.231 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.760 11.224 12.693 1.00 0.00 H new ATOM 0 HG LEU A 105 4.191 12.996 10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.943 10.874 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.354 10.823 10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.857 9.969 10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.982 12.204 9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.786 11.326 11.054 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.891 13.103 11.052 1.00 0.00 H new ATOM 1379 N ALA A 106 3.076 13.043 15.245 1.00 0.00 N ATOM 1380 CA ALA A 106 3.179 12.793 16.683 1.00 0.00 C ATOM 1381 C ALA A 106 3.994 11.516 16.962 1.00 0.00 C ATOM 1382 O ALA A 106 4.030 10.613 16.124 1.00 0.00 O ATOM 1383 CB ALA A 106 1.757 12.679 17.256 1.00 0.00 C ATOM 0 H ALA A 106 2.116 13.058 14.900 1.00 0.00 H new ATOM 0 HA ALA A 106 3.704 13.617 17.166 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.811 12.492 18.329 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.217 13.608 17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.234 11.855 16.770 1.00 0.00 H new ATOM 1389 N ALA A 107 4.575 11.386 18.160 1.00 0.00 N ATOM 1390 CA ALA A 107 5.311 10.179 18.569 1.00 0.00 C ATOM 1391 C ALA A 107 4.470 8.892 18.407 1.00 0.00 C ATOM 1392 O ALA A 107 4.998 7.843 18.038 1.00 0.00 O ATOM 1393 CB ALA A 107 5.805 10.370 20.007 1.00 0.00 C ATOM 0 H ALA A 107 4.550 12.113 18.875 1.00 0.00 H new ATOM 0 HA ALA A 107 6.168 10.046 17.909 1.00 0.00 H new ATOM 0 HB1 ALA A 107 6.353 9.483 20.324 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.462 11.238 20.054 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.952 10.525 20.667 1.00 0.00 H new ATOM 1399 N TYR A 108 3.154 8.994 18.628 1.00 0.00 N ATOM 1400 CA TYR A 108 2.175 7.924 18.428 1.00 0.00 C ATOM 1401 C TYR A 108 2.097 7.515 16.945 1.00 0.00 C ATOM 1402 O TYR A 108 2.333 6.360 16.594 1.00 0.00 O ATOM 1403 CB TYR A 108 0.816 8.404 18.968 1.00 0.00 C ATOM 1404 CG TYR A 108 -0.348 7.494 18.624 1.00 0.00 C ATOM 1405 CD1 TYR A 108 -0.513 6.271 19.302 1.00 0.00 C ATOM 1406 CD2 TYR A 108 -1.248 7.863 17.605 1.00 0.00 C ATOM 1407 CE1 TYR A 108 -1.573 5.411 18.951 1.00 0.00 C ATOM 1408 CE2 TYR A 108 -2.308 7.007 17.253 1.00 0.00 C ATOM 1409 CZ TYR A 108 -2.471 5.773 17.923 1.00 0.00 C ATOM 1410 OH TYR A 108 -3.485 4.930 17.583 1.00 0.00 O ATOM 0 H TYR A 108 2.728 9.858 18.964 1.00 0.00 H new ATOM 0 HA TYR A 108 2.479 7.031 18.974 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.881 8.497 20.052 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.613 9.400 18.574 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.171 5.992 20.090 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -1.124 8.806 17.092 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -1.699 4.472 19.470 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.997 7.293 16.471 1.00 0.00 H new ATOM 0 HH TYR A 108 -4.012 5.328 16.859 1.00 0.00 H new ATOM 1420 N ASP A 109 1.791 8.470 16.062 1.00 0.00 N ATOM 1421 CA ASP A 109 1.583 8.250 14.622 1.00 0.00 C ATOM 1422 C ASP A 109 2.868 7.827 13.894 1.00 0.00 C ATOM 1423 O ASP A 109 2.850 6.959 13.022 1.00 0.00 O ATOM 1424 CB ASP A 109 1.022 9.533 13.998 1.00 0.00 C ATOM 1425 CG ASP A 109 -0.178 9.264 13.070 1.00 0.00 C ATOM 1426 OD1 ASP A 109 -0.115 8.329 12.240 1.00 0.00 O ATOM 1427 OD2 ASP A 109 -1.193 9.990 13.186 1.00 0.00 O ATOM 0 H ASP A 109 1.677 9.446 16.334 1.00 0.00 H new ATOM 0 HA ASP A 109 0.876 7.428 14.509 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.717 10.216 14.791 1.00 0.00 H new ATOM 0 HB3 ASP A 109 1.809 10.032 13.433 1.00 0.00 H new ATOM 1432 N LEU A 110 4.001 8.420 14.282 1.00 0.00 N ATOM 1433 CA LEU A 110 5.334 8.081 13.788 1.00 0.00 C ATOM 1434 C LEU A 110 5.607 6.591 14.035 1.00 0.00 C ATOM 1435 O LEU A 110 5.914 5.848 13.101 1.00 0.00 O ATOM 1436 CB LEU A 110 6.351 9.010 14.483 1.00 0.00 C ATOM 1437 CG LEU A 110 7.838 8.676 14.266 1.00 0.00 C ATOM 1438 CD1 LEU A 110 8.196 8.530 12.793 1.00 0.00 C ATOM 1439 CD2 LEU A 110 8.698 9.798 14.845 1.00 0.00 C ATOM 0 H LEU A 110 4.013 9.173 14.970 1.00 0.00 H new ATOM 0 HA LEU A 110 5.419 8.236 12.712 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.175 10.029 14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.150 8.997 15.554 1.00 0.00 H new ATOM 0 HG LEU A 110 8.025 7.724 14.764 1.00 0.00 H new ATOM 0 HD11 LEU A 110 9.256 8.295 12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.605 7.727 12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.984 9.464 12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.752 9.564 14.693 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.458 10.736 14.344 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.498 9.896 15.912 1.00 0.00 H new ATOM 1451 N ARG A 111 5.433 6.139 15.284 1.00 0.00 N ATOM 1452 CA ARG A 111 5.609 4.735 15.681 1.00 0.00 C ATOM 1453 C ARG A 111 4.647 3.783 14.971 1.00 0.00 C ATOM 1454 O ARG A 111 5.054 2.699 14.558 1.00 0.00 O ATOM 1455 CB ARG A 111 5.543 4.642 17.217 1.00 0.00 C ATOM 1456 CG ARG A 111 6.193 3.373 17.789 1.00 0.00 C ATOM 1457 CD ARG A 111 6.240 3.451 19.324 1.00 0.00 C ATOM 1458 NE ARG A 111 7.171 2.457 19.896 1.00 0.00 N ATOM 1459 CZ ARG A 111 7.608 2.402 21.143 1.00 0.00 C ATOM 1460 NH1 ARG A 111 7.166 3.203 22.073 1.00 0.00 N ATOM 1461 NH2 ARG A 111 8.516 1.533 21.487 1.00 0.00 N ATOM 0 H ARG A 111 5.162 6.746 16.058 1.00 0.00 H new ATOM 0 HA ARG A 111 6.593 4.397 15.355 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.034 5.516 17.646 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.499 4.677 17.529 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.628 2.494 17.479 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.202 3.261 17.391 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.546 4.452 19.628 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.241 3.287 19.727 1.00 0.00 H new ATOM 0 HE ARG A 111 7.514 1.736 19.261 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.458 3.903 21.849 1.00 0.00 H new ATOM 0 HH12 ARG A 111 7.528 3.129 23.024 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.895 0.889 20.792 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.848 1.497 22.451 1.00 0.00 H new ATOM 1475 N GLN A 112 3.411 4.228 14.758 1.00 0.00 N ATOM 1476 CA GLN A 112 2.360 3.503 14.023 1.00 0.00 C ATOM 1477 C GLN A 112 2.727 3.284 12.542 1.00 0.00 C ATOM 1478 O GLN A 112 2.663 2.153 12.059 1.00 0.00 O ATOM 1479 CB GLN A 112 1.011 4.236 14.137 1.00 0.00 C ATOM 1480 CG GLN A 112 0.289 4.029 15.482 1.00 0.00 C ATOM 1481 CD GLN A 112 -0.460 2.699 15.576 1.00 0.00 C ATOM 1482 OE1 GLN A 112 -0.188 1.858 16.423 1.00 0.00 O ATOM 1483 NE2 GLN A 112 -1.443 2.455 14.733 1.00 0.00 N ATOM 0 H GLN A 112 3.096 5.135 15.102 1.00 0.00 H new ATOM 0 HA GLN A 112 2.270 2.520 14.485 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.177 5.303 13.987 1.00 0.00 H new ATOM 0 HB3 GLN A 112 0.358 3.899 13.332 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.020 4.083 16.289 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -0.417 4.846 15.636 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -1.686 3.143 14.020 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -1.961 1.579 14.794 1.00 0.00 H new ATOM 1492 N GLY A 113 3.130 4.332 11.814 1.00 0.00 N ATOM 1493 CA GLY A 113 3.536 4.224 10.408 1.00 0.00 C ATOM 1494 C GLY A 113 4.828 3.427 10.224 1.00 0.00 C ATOM 1495 O GLY A 113 4.939 2.630 9.297 1.00 0.00 O ATOM 0 H GLY A 113 3.184 5.281 12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.737 3.748 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.669 5.224 9.995 1.00 0.00 H new ATOM 1499 N GLN A 114 5.799 3.599 11.120 1.00 0.00 N ATOM 1500 CA GLN A 114 7.063 2.857 11.093 1.00 0.00 C ATOM 1501 C GLN A 114 6.870 1.346 11.314 1.00 0.00 C ATOM 1502 O GLN A 114 7.367 0.551 10.515 1.00 0.00 O ATOM 1503 CB GLN A 114 8.027 3.463 12.121 1.00 0.00 C ATOM 1504 CG GLN A 114 8.593 4.816 11.653 1.00 0.00 C ATOM 1505 CD GLN A 114 9.695 4.649 10.612 1.00 0.00 C ATOM 1506 OE1 GLN A 114 9.496 4.792 9.413 1.00 0.00 O ATOM 1507 NE2 GLN A 114 10.899 4.331 11.037 1.00 0.00 N ATOM 0 H GLN A 114 5.732 4.262 11.892 1.00 0.00 H new ATOM 0 HA GLN A 114 7.493 2.953 10.096 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.508 3.596 13.070 1.00 0.00 H new ATOM 0 HB3 GLN A 114 8.848 2.769 12.301 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.788 5.420 11.234 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.986 5.360 12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 114 11.072 4.210 12.035 1.00 0.00 H new ATOM 0 HE22 GLN A 114 11.659 4.205 10.369 1.00 0.00 H new ATOM 1516 N GLU A 115 6.146 0.917 12.358 1.00 0.00 N ATOM 1517 CA GLU A 115 5.908 -0.514 12.611 1.00 0.00 C ATOM 1518 C GLU A 115 5.062 -1.203 11.527 1.00 0.00 C ATOM 1519 O GLU A 115 5.231 -2.390 11.241 1.00 0.00 O ATOM 1520 CB GLU A 115 5.326 -0.731 14.015 1.00 0.00 C ATOM 1521 CG GLU A 115 3.841 -0.376 14.166 1.00 0.00 C ATOM 1522 CD GLU A 115 3.305 -0.601 15.597 1.00 0.00 C ATOM 1523 OE1 GLU A 115 4.035 -0.371 16.592 1.00 0.00 O ATOM 1524 OE2 GLU A 115 2.130 -1.021 15.735 1.00 0.00 O ATOM 0 H GLU A 115 5.715 1.539 13.041 1.00 0.00 H new ATOM 0 HA GLU A 115 6.883 -1.000 12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 115 5.463 -1.777 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 115 5.900 -0.136 14.725 1.00 0.00 H new ATOM 0 HG2 GLU A 115 3.694 0.668 13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 115 3.258 -0.976 13.468 1.00 0.00 H new ATOM 1531 N ALA A 116 4.187 -0.433 10.886 1.00 0.00 N ATOM 1532 CA ALA A 116 3.348 -0.871 9.776 1.00 0.00 C ATOM 1533 C ALA A 116 4.161 -1.380 8.572 1.00 0.00 C ATOM 1534 O ALA A 116 3.776 -2.396 7.996 1.00 0.00 O ATOM 1535 CB ALA A 116 2.399 0.261 9.400 1.00 0.00 C ATOM 0 H ALA A 116 4.038 0.545 11.134 1.00 0.00 H new ATOM 0 HA ALA A 116 2.766 -1.734 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 116 1.766 -0.055 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 116 1.775 0.512 10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 116 2.977 1.136 9.103 1.00 0.00 H new ATOM 1541 N LEU A 117 5.287 -0.744 8.206 1.00 0.00 N ATOM 1542 CA LEU A 117 6.166 -1.248 7.129 1.00 0.00 C ATOM 1543 C LEU A 117 6.609 -2.693 7.402 1.00 0.00 C ATOM 1544 O LEU A 117 6.566 -3.552 6.518 1.00 0.00 O ATOM 1545 CB LEU A 117 7.443 -0.401 6.998 1.00 0.00 C ATOM 1546 CG LEU A 117 7.327 0.825 6.090 1.00 0.00 C ATOM 1547 CD1 LEU A 117 6.607 1.982 6.770 1.00 0.00 C ATOM 1548 CD2 LEU A 117 8.732 1.292 5.743 1.00 0.00 C ATOM 0 H LEU A 117 5.613 0.121 8.638 1.00 0.00 H new ATOM 0 HA LEU A 117 5.580 -1.193 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.742 -0.069 7.992 1.00 0.00 H new ATOM 0 HB3 LEU A 117 8.244 -1.037 6.621 1.00 0.00 H new ATOM 0 HG LEU A 117 6.755 0.537 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.550 2.828 6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.600 1.671 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.155 2.276 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.675 2.167 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.265 1.552 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.264 0.493 5.227 1.00 0.00 H new ATOM 1560 N ALA A 118 7.033 -2.953 8.641 1.00 0.00 N ATOM 1561 CA ALA A 118 7.507 -4.262 9.088 1.00 0.00 C ATOM 1562 C ALA A 118 6.417 -5.334 8.956 1.00 0.00 C ATOM 1563 O ALA A 118 6.711 -6.480 8.616 1.00 0.00 O ATOM 1564 CB ALA A 118 7.969 -4.164 10.547 1.00 0.00 C ATOM 0 H ALA A 118 7.056 -2.245 9.375 1.00 0.00 H new ATOM 0 HA ALA A 118 8.341 -4.558 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.323 -5.139 10.883 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.778 -3.438 10.624 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.135 -3.846 11.172 1.00 0.00 H new ATOM 1570 N ARG A 119 5.151 -4.953 9.179 1.00 0.00 N ATOM 1571 CA ARG A 119 3.982 -5.826 9.023 1.00 0.00 C ATOM 1572 C ARG A 119 3.892 -6.395 7.601 1.00 0.00 C ATOM 1573 O ARG A 119 3.700 -7.597 7.418 1.00 0.00 O ATOM 1574 CB ARG A 119 2.700 -5.048 9.394 1.00 0.00 C ATOM 1575 CG ARG A 119 1.584 -5.953 9.934 1.00 0.00 C ATOM 1576 CD ARG A 119 1.800 -6.247 11.423 1.00 0.00 C ATOM 1577 NE ARG A 119 0.775 -7.169 11.950 1.00 0.00 N ATOM 1578 CZ ARG A 119 0.427 -7.334 13.214 1.00 0.00 C ATOM 1579 NH1 ARG A 119 0.955 -6.634 14.179 1.00 0.00 N ATOM 1580 NH2 ARG A 119 -0.471 -8.220 13.539 1.00 0.00 N ATOM 0 H ARG A 119 4.908 -4.009 9.479 1.00 0.00 H new ATOM 0 HA ARG A 119 4.089 -6.674 9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.943 -4.294 10.143 1.00 0.00 H new ATOM 0 HB3 ARG A 119 2.336 -4.518 8.514 1.00 0.00 H new ATOM 0 HG2 ARG A 119 0.617 -5.472 9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 119 1.563 -6.887 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 119 2.789 -6.680 11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.775 -5.314 11.986 1.00 0.00 H new ATOM 0 HE ARG A 119 0.282 -7.741 11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 119 1.663 -5.930 13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 119 0.660 -6.790 15.143 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -0.909 -8.791 12.816 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -0.736 -8.343 14.516 1.00 0.00 H new ATOM 1594 N LEU A 120 4.079 -5.530 6.598 1.00 0.00 N ATOM 1595 CA LEU A 120 4.067 -5.887 5.173 1.00 0.00 C ATOM 1596 C LEU A 120 5.270 -6.776 4.815 1.00 0.00 C ATOM 1597 O LEU A 120 5.124 -7.784 4.125 1.00 0.00 O ATOM 1598 CB LEU A 120 4.045 -4.620 4.286 1.00 0.00 C ATOM 1599 CG LEU A 120 3.119 -3.478 4.745 1.00 0.00 C ATOM 1600 CD1 LEU A 120 3.065 -2.384 3.686 1.00 0.00 C ATOM 1601 CD2 LEU A 120 1.685 -3.934 5.030 1.00 0.00 C ATOM 0 H LEU A 120 4.247 -4.537 6.758 1.00 0.00 H new ATOM 0 HA LEU A 120 3.157 -6.455 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.061 -4.231 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.751 -4.914 3.278 1.00 0.00 H new ATOM 0 HG LEU A 120 3.547 -3.107 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.407 -1.583 4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.067 -1.986 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 120 2.683 -2.799 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.088 -3.079 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.253 -4.362 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.692 -4.686 5.819 1.00 0.00 H new ATOM 1613 N GLN A 121 6.458 -6.426 5.322 1.00 0.00 N ATOM 1614 CA GLN A 121 7.703 -7.167 5.124 1.00 0.00 C ATOM 1615 C GLN A 121 7.648 -8.588 5.719 1.00 0.00 C ATOM 1616 O GLN A 121 8.076 -9.546 5.075 1.00 0.00 O ATOM 1617 CB GLN A 121 8.835 -6.311 5.714 1.00 0.00 C ATOM 1618 CG GLN A 121 10.214 -6.967 5.606 1.00 0.00 C ATOM 1619 CD GLN A 121 11.294 -6.006 5.111 1.00 0.00 C ATOM 1620 OE1 GLN A 121 11.966 -5.326 5.874 1.00 0.00 O ATOM 1621 NE2 GLN A 121 11.506 -5.921 3.813 1.00 0.00 N ATOM 0 H GLN A 121 6.580 -5.593 5.899 1.00 0.00 H new ATOM 0 HA GLN A 121 7.880 -7.334 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 121 8.858 -5.349 5.202 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.618 -6.109 6.763 1.00 0.00 H new ATOM 0 HG2 GLN A 121 10.502 -7.357 6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 121 10.154 -7.818 4.927 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.951 -6.484 3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 121 12.225 -5.293 3.454 1.00 0.00 H new ATOM 1630 N ALA A 122 7.078 -8.751 6.914 1.00 0.00 N ATOM 1631 CA ALA A 122 6.870 -10.053 7.548 1.00 0.00 C ATOM 1632 C ALA A 122 5.960 -10.973 6.713 1.00 0.00 C ATOM 1633 O ALA A 122 6.287 -12.142 6.497 1.00 0.00 O ATOM 1634 CB ALA A 122 6.314 -9.819 8.957 1.00 0.00 C ATOM 0 H ALA A 122 6.743 -7.969 7.477 1.00 0.00 H new ATOM 0 HA ALA A 122 7.824 -10.576 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.151 -10.778 9.448 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.026 -9.231 9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 122 5.368 -9.281 8.890 1.00 0.00 H new ATOM 1640 N ALA A 123 4.849 -10.448 6.186 1.00 0.00 N ATOM 1641 CA ALA A 123 3.960 -11.190 5.288 1.00 0.00 C ATOM 1642 C ALA A 123 4.657 -11.600 3.970 1.00 0.00 C ATOM 1643 O ALA A 123 4.379 -12.666 3.418 1.00 0.00 O ATOM 1644 CB ALA A 123 2.709 -10.341 5.045 1.00 0.00 C ATOM 0 H ALA A 123 4.541 -9.494 6.371 1.00 0.00 H new ATOM 0 HA ALA A 123 3.676 -12.131 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.031 -10.874 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.208 -10.151 5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.995 -9.393 4.589 1.00 0.00 H new ATOM 1650 N LEU A 124 5.607 -10.794 3.481 1.00 0.00 N ATOM 1651 CA LEU A 124 6.422 -11.107 2.304 1.00 0.00 C ATOM 1652 C LEU A 124 7.387 -12.282 2.559 1.00 0.00 C ATOM 1653 O LEU A 124 7.554 -13.149 1.699 1.00 0.00 O ATOM 1654 CB LEU A 124 7.184 -9.836 1.887 1.00 0.00 C ATOM 1655 CG LEU A 124 7.689 -9.899 0.441 1.00 0.00 C ATOM 1656 CD1 LEU A 124 6.548 -9.666 -0.548 1.00 0.00 C ATOM 1657 CD2 LEU A 124 8.735 -8.823 0.195 1.00 0.00 C ATOM 0 H LEU A 124 5.834 -9.892 3.900 1.00 0.00 H new ATOM 0 HA LEU A 124 5.767 -11.428 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.531 -8.971 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 124 8.031 -9.688 2.557 1.00 0.00 H new ATOM 0 HG LEU A 124 8.116 -10.891 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 124 6.933 -9.716 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 124 5.785 -10.432 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 124 6.110 -8.683 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.082 -8.882 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 124 8.296 -7.841 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 124 9.577 -8.973 0.871 1.00 0.00 H new ATOM 1669 N ALA A 125 7.994 -12.353 3.748 1.00 0.00 N ATOM 1670 CA ALA A 125 8.848 -13.475 4.148 1.00 0.00 C ATOM 1671 C ALA A 125 8.085 -14.816 4.261 1.00 0.00 C ATOM 1672 O ALA A 125 8.661 -15.878 4.023 1.00 0.00 O ATOM 1673 CB ALA A 125 9.561 -13.115 5.458 1.00 0.00 C ATOM 0 H ALA A 125 7.906 -11.631 4.463 1.00 0.00 H new ATOM 0 HA ALA A 125 9.584 -13.636 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.199 -13.944 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 125 10.170 -12.224 5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.820 -12.921 6.234 1.00 0.00 H new ATOM 1679 N GLU A 126 6.790 -14.787 4.576 1.00 0.00 N ATOM 1680 CA GLU A 126 5.924 -15.978 4.613 1.00 0.00 C ATOM 1681 C GLU A 126 5.678 -16.530 3.196 1.00 0.00 C ATOM 1682 O GLU A 126 5.681 -17.747 2.997 1.00 0.00 O ATOM 1683 CB GLU A 126 4.591 -15.648 5.302 1.00 0.00 C ATOM 1684 CG GLU A 126 4.760 -15.438 6.816 1.00 0.00 C ATOM 1685 CD GLU A 126 3.518 -14.826 7.504 1.00 0.00 C ATOM 1686 OE1 GLU A 126 2.411 -14.790 6.912 1.00 0.00 O ATOM 1687 OE2 GLU A 126 3.640 -14.389 8.675 1.00 0.00 O ATOM 0 H GLU A 126 6.301 -13.925 4.817 1.00 0.00 H new ATOM 0 HA GLU A 126 6.434 -16.750 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 126 4.166 -14.748 4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 126 3.882 -16.457 5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.987 -16.396 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.617 -14.788 6.990 1.00 0.00 H new ATOM 1694 N ARG A 127 5.527 -15.649 2.193 1.00 0.00 N ATOM 1695 CA ARG A 127 5.392 -16.023 0.772 1.00 0.00 C ATOM 1696 C ARG A 127 6.644 -16.715 0.231 1.00 0.00 C ATOM 1697 O ARG A 127 6.515 -17.675 -0.530 1.00 0.00 O ATOM 1698 CB ARG A 127 5.037 -14.791 -0.082 1.00 0.00 C ATOM 1699 CG ARG A 127 3.617 -14.256 0.147 1.00 0.00 C ATOM 1700 CD ARG A 127 2.562 -15.178 -0.479 1.00 0.00 C ATOM 1701 NE ARG A 127 1.194 -14.721 -0.170 1.00 0.00 N ATOM 1702 CZ ARG A 127 0.078 -15.411 -0.317 1.00 0.00 C ATOM 1703 NH1 ARG A 127 0.071 -16.624 -0.797 1.00 0.00 N ATOM 1704 NH2 ARG A 127 -1.067 -14.896 0.028 1.00 0.00 N ATOM 0 H ARG A 127 5.495 -14.641 2.347 1.00 0.00 H new ATOM 0 HA ARG A 127 4.577 -16.744 0.706 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.752 -13.996 0.132 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.151 -15.048 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.431 -14.161 1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.530 -13.257 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.701 -15.210 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.700 -16.194 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 127 1.100 -13.773 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.947 -17.069 -1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.810 -17.128 -0.897 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -1.106 -13.953 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -1.925 -15.435 -0.089 1.00 0.00 H new ATOM 1718 N ARG A 128 7.849 -16.307 0.662 1.00 0.00 N ATOM 1719 CA ARG A 128 9.109 -16.982 0.282 1.00 0.00 C ATOM 1720 C ARG A 128 9.076 -18.481 0.568 1.00 0.00 C ATOM 1721 O ARG A 128 9.570 -19.238 -0.257 1.00 0.00 O ATOM 1722 CB ARG A 128 10.344 -16.376 0.979 1.00 0.00 C ATOM 1723 CG ARG A 128 10.800 -15.079 0.311 1.00 0.00 C ATOM 1724 CD ARG A 128 12.256 -14.712 0.617 1.00 0.00 C ATOM 1725 NE ARG A 128 12.460 -14.313 2.022 1.00 0.00 N ATOM 1726 CZ ARG A 128 13.560 -13.791 2.536 1.00 0.00 C ATOM 1727 NH1 ARG A 128 14.645 -13.635 1.831 1.00 0.00 N ATOM 1728 NH2 ARG A 128 13.592 -13.408 3.780 1.00 0.00 N ATOM 0 H ARG A 128 7.981 -15.506 1.280 1.00 0.00 H new ATOM 0 HA ARG A 128 9.196 -16.823 -0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.111 -16.182 2.026 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.160 -17.098 0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.676 -15.173 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.152 -14.265 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.897 -15.564 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.566 -13.896 -0.036 1.00 0.00 H new ATOM 0 HE ARG A 128 11.676 -14.454 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.662 -13.919 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.477 -13.229 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.764 -13.510 4.366 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.445 -13.006 4.168 1.00 0.00 H new