USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 616 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 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc=-0.00356 X(o=-0.0036,f=-0.31) USER MOD Single : A 51 THR OG1 : rot -32:sc= 0.284! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -32:sc= 0.241 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0657) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.146 (180deg=-0.66) USER MOD Single : A 79 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 82 HIS : no HD1:sc=-0.00766 X(o=-0.0077,f=-0.15) USER MOD Single : A 83 THR OG1 : rot 76:sc= 0.00198 USER MOD Single : A 85 SER OG : rot -54:sc= 0.357 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.0739 X(o=-0.074,f=-0.074) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.1) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 526 N PHE A 34 81.395 31.336 11.495 1.00 0.00 N ATOM 527 CA PHE A 34 81.503 31.894 10.152 1.00 0.00 C ATOM 528 C PHE A 34 81.561 33.418 10.198 1.00 0.00 C ATOM 529 O PHE A 34 81.224 34.033 11.210 1.00 0.00 O ATOM 530 CB PHE A 34 80.319 31.443 9.294 1.00 0.00 C ATOM 531 CG PHE A 34 79.033 31.322 10.062 1.00 0.00 C ATOM 532 CD1 PHE A 34 78.554 32.387 10.808 1.00 0.00 C ATOM 533 CD2 PHE A 34 78.305 30.144 10.038 1.00 0.00 C ATOM 534 CE1 PHE A 34 77.371 32.279 11.515 1.00 0.00 C ATOM 535 CE2 PHE A 34 77.122 30.030 10.743 1.00 0.00 C ATOM 536 CZ PHE A 34 76.655 31.099 11.484 1.00 0.00 C ATOM 0 HA PHE A 34 82.428 31.527 9.706 1.00 0.00 H new ATOM 0 HB2 PHE A 34 80.180 32.153 8.479 1.00 0.00 H new ATOM 0 HB3 PHE A 34 80.555 30.480 8.842 1.00 0.00 H new ATOM 0 HD1 PHE A 34 79.111 33.312 10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 34 78.666 29.305 9.462 1.00 0.00 H new ATOM 0 HE1 PHE A 34 77.007 33.117 12.091 1.00 0.00 H new ATOM 0 HE2 PHE A 34 76.563 29.106 10.715 1.00 0.00 H new ATOM 0 HZ PHE A 34 75.732 31.011 12.038 1.00 0.00 H new ATOM 546 N THR A 35 81.990 34.021 9.094 1.00 0.00 N ATOM 547 CA THR A 35 82.095 35.473 9.008 1.00 0.00 C ATOM 548 C THR A 35 80.887 36.069 8.294 1.00 0.00 C ATOM 549 O THR A 35 80.284 35.429 7.433 1.00 0.00 O ATOM 550 CB THR A 35 83.377 35.901 8.270 1.00 0.00 C ATOM 551 OG1 THR A 35 84.486 35.114 8.717 1.00 0.00 O ATOM 552 CG2 THR A 35 83.668 37.376 8.502 1.00 0.00 C ATOM 0 H THR A 35 82.270 33.527 8.247 1.00 0.00 H new ATOM 0 HA THR A 35 82.132 35.849 10.030 1.00 0.00 H new ATOM 0 HB THR A 35 83.226 35.741 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 35 85.297 35.391 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 35 84.578 37.655 7.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 82.835 37.974 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 35 83.800 37.557 9.569 1.00 0.00 H new ATOM 560 N VAL A 36 80.540 37.300 8.656 1.00 0.00 N ATOM 561 CA VAL A 36 79.405 37.984 8.049 1.00 0.00 C ATOM 562 C VAL A 36 79.497 37.956 6.527 1.00 0.00 C ATOM 563 O VAL A 36 78.489 37.814 5.836 1.00 0.00 O ATOM 564 CB VAL A 36 79.314 39.448 8.520 1.00 0.00 C ATOM 565 CG1 VAL A 36 80.606 40.189 8.212 1.00 0.00 C ATOM 566 CG2 VAL A 36 78.125 40.142 7.874 1.00 0.00 C ATOM 0 H VAL A 36 81.029 37.844 9.367 1.00 0.00 H new ATOM 0 HA VAL A 36 78.508 37.452 8.366 1.00 0.00 H new ATOM 0 HB VAL A 36 79.167 39.456 9.600 1.00 0.00 H new ATOM 0 HG11 VAL A 36 80.523 41.221 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 36 81.435 39.703 8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 36 80.787 40.174 7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 36 78.076 41.175 8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 36 78.239 40.125 6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 36 77.207 39.624 8.150 1.00 0.00 H new ATOM 576 N ALA A 37 80.714 38.093 6.011 1.00 0.00 N ATOM 577 CA ALA A 37 80.939 38.080 4.571 1.00 0.00 C ATOM 578 C ALA A 37 80.771 36.676 4.001 1.00 0.00 C ATOM 579 O ALA A 37 80.081 36.482 3.001 1.00 0.00 O ATOM 580 CB ALA A 37 82.324 38.621 4.248 1.00 0.00 C ATOM 0 H ALA A 37 81.559 38.214 6.569 1.00 0.00 H new ATOM 0 HA ALA A 37 80.192 38.724 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 37 82.478 38.605 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 37 82.409 39.645 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 37 83.079 38.001 4.731 1.00 0.00 H new ATOM 586 N GLU A 38 81.406 35.701 4.644 1.00 0.00 N ATOM 587 CA GLU A 38 81.327 34.315 4.198 1.00 0.00 C ATOM 588 C GLU A 38 79.881 33.828 4.189 1.00 0.00 C ATOM 589 O GLU A 38 79.447 33.154 3.255 1.00 0.00 O ATOM 590 CB GLU A 38 82.174 33.417 5.102 1.00 0.00 C ATOM 591 CG GLU A 38 83.667 33.678 4.994 1.00 0.00 C ATOM 592 CD GLU A 38 84.202 33.430 3.597 1.00 0.00 C ATOM 593 OE1 GLU A 38 84.132 32.273 3.132 1.00 0.00 O ATOM 594 OE2 GLU A 38 84.692 34.392 2.969 1.00 0.00 O ATOM 0 H GLU A 38 81.980 35.845 5.475 1.00 0.00 H new ATOM 0 HA GLU A 38 81.715 34.264 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.863 33.561 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 38 81.977 32.375 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.874 34.709 5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 38 84.196 33.039 5.701 1.00 0.00 H new ATOM 601 N VAL A 39 79.140 34.175 5.237 1.00 0.00 N ATOM 602 CA VAL A 39 77.742 33.774 5.351 1.00 0.00 C ATOM 603 C VAL A 39 76.885 34.463 4.294 1.00 0.00 C ATOM 604 O VAL A 39 76.041 33.833 3.659 1.00 0.00 O ATOM 605 CB VAL A 39 77.177 34.099 6.746 1.00 0.00 C ATOM 606 CG1 VAL A 39 75.705 33.724 6.827 1.00 0.00 C ATOM 607 CG2 VAL A 39 77.978 33.385 7.824 1.00 0.00 C ATOM 0 H VAL A 39 79.484 34.733 6.019 1.00 0.00 H new ATOM 0 HA VAL A 39 77.708 32.696 5.196 1.00 0.00 H new ATOM 0 HB VAL A 39 77.263 35.173 6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.323 33.961 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.145 34.286 6.079 1.00 0.00 H new ATOM 0 HG13 VAL A 39 75.591 32.656 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 39 77.565 33.626 8.804 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.926 32.308 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A 39 79.018 33.709 7.779 1.00 0.00 H new ATOM 617 N GLU A 40 77.110 35.760 4.112 1.00 0.00 N ATOM 618 CA GLU A 40 76.358 36.535 3.132 1.00 0.00 C ATOM 619 C GLU A 40 76.481 35.919 1.741 1.00 0.00 C ATOM 620 O GLU A 40 75.479 35.662 1.072 1.00 0.00 O ATOM 621 CB GLU A 40 76.851 37.983 3.106 1.00 0.00 C ATOM 622 CG GLU A 40 76.119 38.892 4.079 1.00 0.00 C ATOM 623 CD GLU A 40 75.846 40.267 3.500 1.00 0.00 C ATOM 624 OE1 GLU A 40 75.285 40.341 2.387 1.00 0.00 O ATOM 625 OE2 GLU A 40 76.195 41.269 4.160 1.00 0.00 O ATOM 0 H GLU A 40 77.806 36.296 4.630 1.00 0.00 H new ATOM 0 HA GLU A 40 75.308 36.522 3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.916 38.000 3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.738 38.379 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 75.175 38.428 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 40 76.710 38.996 4.989 1.00 0.00 H new ATOM 632 N LEU A 41 77.716 35.686 1.311 1.00 0.00 N ATOM 633 CA LEU A 41 77.973 35.101 0.000 1.00 0.00 C ATOM 634 C LEU A 41 77.430 33.678 -0.077 1.00 0.00 C ATOM 635 O LEU A 41 76.836 33.282 -1.081 1.00 0.00 O ATOM 636 CB LEU A 41 79.473 35.103 -0.297 1.00 0.00 C ATOM 637 CG LEU A 41 80.195 36.436 -0.097 1.00 0.00 C ATOM 638 CD1 LEU A 41 81.601 36.207 0.436 1.00 0.00 C ATOM 639 CD2 LEU A 41 80.238 37.220 -1.401 1.00 0.00 C ATOM 0 H LEU A 41 78.556 35.893 1.852 1.00 0.00 H new ATOM 0 HA LEU A 41 77.461 35.707 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 41 79.950 34.356 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 79.619 34.785 -1.329 1.00 0.00 H new ATOM 0 HG LEU A 41 79.641 37.021 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.099 37.167 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.547 35.687 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.165 35.603 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 80.755 38.166 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 41 80.768 36.640 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 41 79.221 37.416 -1.741 1.00 0.00 H new ATOM 651 N LEU A 42 77.635 32.913 0.990 1.00 0.00 N ATOM 652 CA LEU A 42 77.164 31.534 1.045 1.00 0.00 C ATOM 653 C LEU A 42 75.648 31.469 0.889 1.00 0.00 C ATOM 654 O LEU A 42 75.127 30.669 0.112 1.00 0.00 O ATOM 655 CB LEU A 42 77.580 30.884 2.366 1.00 0.00 C ATOM 656 CG LEU A 42 76.732 29.699 2.828 1.00 0.00 C ATOM 657 CD1 LEU A 42 76.621 28.659 1.723 1.00 0.00 C ATOM 658 CD2 LEU A 42 77.320 29.081 4.088 1.00 0.00 C ATOM 0 H LEU A 42 78.124 33.225 1.829 1.00 0.00 H new ATOM 0 HA LEU A 42 77.620 30.988 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 42 78.614 30.551 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 77.559 31.646 3.145 1.00 0.00 H new ATOM 0 HG LEU A 42 75.730 30.062 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 42 76.014 27.823 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 42 76.154 29.108 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.616 28.300 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 42 76.703 28.239 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.333 28.733 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.346 29.828 4.882 1.00 0.00 H new ATOM 670 N VAL A 43 74.945 32.319 1.631 1.00 0.00 N ATOM 671 CA VAL A 43 73.489 32.361 1.573 1.00 0.00 C ATOM 672 C VAL A 43 73.006 32.762 0.184 1.00 0.00 C ATOM 673 O VAL A 43 72.043 32.199 -0.335 1.00 0.00 O ATOM 674 CB VAL A 43 72.914 33.346 2.609 1.00 0.00 C ATOM 675 CG1 VAL A 43 71.401 33.433 2.481 1.00 0.00 C ATOM 676 CG2 VAL A 43 73.315 32.931 4.017 1.00 0.00 C ATOM 0 H VAL A 43 75.361 32.988 2.279 1.00 0.00 H new ATOM 0 HA VAL A 43 73.134 31.356 1.802 1.00 0.00 H new ATOM 0 HB VAL A 43 73.328 34.335 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 43 71.013 34.133 3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 43 71.140 33.780 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 43 70.964 32.449 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 43 72.901 33.637 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 72.930 31.933 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 43 74.402 32.925 4.099 1.00 0.00 H new ATOM 686 N GLU A 44 73.681 33.740 -0.412 1.00 0.00 N ATOM 687 CA GLU A 44 73.320 34.217 -1.742 1.00 0.00 C ATOM 688 C GLU A 44 73.533 33.126 -2.787 1.00 0.00 C ATOM 689 O GLU A 44 72.817 33.061 -3.786 1.00 0.00 O ATOM 690 CB GLU A 44 74.143 35.454 -2.105 1.00 0.00 C ATOM 691 CG GLU A 44 73.421 36.412 -3.039 1.00 0.00 C ATOM 692 CD GLU A 44 74.262 37.623 -3.395 1.00 0.00 C ATOM 693 OE1 GLU A 44 75.505 37.509 -3.372 1.00 0.00 O ATOM 694 OE2 GLU A 44 73.676 38.684 -3.696 1.00 0.00 O ATOM 0 H GLU A 44 74.480 34.217 0.005 1.00 0.00 H new ATOM 0 HA GLU A 44 72.263 34.484 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 44 74.410 35.984 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 44 75.075 35.136 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 73.145 35.885 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 44 72.495 36.743 -2.569 1.00 0.00 H new ATOM 701 N ALA A 45 74.523 32.271 -2.549 1.00 0.00 N ATOM 702 CA ALA A 45 74.830 31.183 -3.469 1.00 0.00 C ATOM 703 C ALA A 45 73.684 30.178 -3.532 1.00 0.00 C ATOM 704 O ALA A 45 73.233 29.803 -4.614 1.00 0.00 O ATOM 705 CB ALA A 45 76.119 30.490 -3.054 1.00 0.00 C ATOM 0 H ALA A 45 75.126 32.311 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 45 74.962 31.607 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 45 76.337 29.679 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 45 76.939 31.208 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 45 76.007 30.085 -2.048 1.00 0.00 H new ATOM 711 N VAL A 46 73.217 29.745 -2.365 1.00 0.00 N ATOM 712 CA VAL A 46 72.124 28.784 -2.288 1.00 0.00 C ATOM 713 C VAL A 46 70.781 29.458 -2.546 1.00 0.00 C ATOM 714 O VAL A 46 69.859 28.841 -3.078 1.00 0.00 O ATOM 715 CB VAL A 46 72.082 28.091 -0.913 1.00 0.00 C ATOM 716 CG1 VAL A 46 72.131 29.120 0.206 1.00 0.00 C ATOM 717 CG2 VAL A 46 70.841 27.220 -0.794 1.00 0.00 C ATOM 0 H VAL A 46 73.579 30.045 -1.460 1.00 0.00 H new ATOM 0 HA VAL A 46 72.306 28.035 -3.059 1.00 0.00 H new ATOM 0 HB VAL A 46 72.958 27.449 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 46 72.100 28.611 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 46 73.052 29.697 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 46 71.275 29.790 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 70.827 26.738 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 46 69.950 27.838 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 46 70.855 26.459 -1.574 1.00 0.00 H new ATOM 727 N GLU A 47 70.679 30.727 -2.166 1.00 0.00 N ATOM 728 CA GLU A 47 69.447 31.484 -2.357 1.00 0.00 C ATOM 729 C GLU A 47 69.240 31.824 -3.830 1.00 0.00 C ATOM 730 O GLU A 47 68.136 31.694 -4.359 1.00 0.00 O ATOM 731 CB GLU A 47 69.478 32.768 -1.525 1.00 0.00 C ATOM 732 CG GLU A 47 68.244 33.638 -1.702 1.00 0.00 C ATOM 733 CD GLU A 47 68.289 34.894 -0.853 1.00 0.00 C ATOM 734 OE1 GLU A 47 68.798 34.823 0.285 1.00 0.00 O ATOM 735 OE2 GLU A 47 67.814 35.947 -1.328 1.00 0.00 O ATOM 0 H GLU A 47 71.433 31.253 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 47 68.614 30.864 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 69.580 32.506 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 47 70.362 33.346 -1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 47 68.148 33.917 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 47 67.357 33.060 -1.443 1.00 0.00 H new ATOM 742 N HIS A 48 70.310 32.262 -4.486 1.00 0.00 N ATOM 743 CA HIS A 48 70.247 32.621 -5.898 1.00 0.00 C ATOM 744 C HIS A 48 69.597 31.507 -6.714 1.00 0.00 C ATOM 745 O HIS A 48 68.920 31.766 -7.709 1.00 0.00 O ATOM 746 CB HIS A 48 71.648 32.911 -6.436 1.00 0.00 C ATOM 747 CG HIS A 48 71.660 33.364 -7.864 1.00 0.00 C ATOM 748 ND1 HIS A 48 71.702 32.490 -8.930 1.00 0.00 N ATOM 749 CD2 HIS A 48 71.634 34.607 -8.399 1.00 0.00 C ATOM 750 CE1 HIS A 48 71.703 33.176 -10.059 1.00 0.00 C ATOM 751 NE2 HIS A 48 71.662 34.463 -9.764 1.00 0.00 N ATOM 0 H HIS A 48 71.231 32.377 -4.062 1.00 0.00 H new ATOM 0 HA HIS A 48 69.637 33.519 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 48 72.115 33.677 -5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 48 72.257 32.012 -6.344 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.598 35.539 -7.854 1.00 0.00 H new ATOM 0 HE1 HIS A 48 71.732 32.756 -11.054 1.00 0.00 H new ATOM 0 HE2 HIS A 48 71.653 35.226 -10.441 1.00 0.00 H new ATOM 759 N LEU A 49 69.809 30.267 -6.286 1.00 0.00 N ATOM 760 CA LEU A 49 69.245 29.113 -6.977 1.00 0.00 C ATOM 761 C LEU A 49 68.085 28.517 -6.184 1.00 0.00 C ATOM 762 O LEU A 49 67.330 27.691 -6.696 1.00 0.00 O ATOM 763 CB LEU A 49 70.323 28.051 -7.201 1.00 0.00 C ATOM 764 CG LEU A 49 71.659 28.556 -7.745 1.00 0.00 C ATOM 765 CD1 LEU A 49 72.816 27.825 -7.082 1.00 0.00 C ATOM 766 CD2 LEU A 49 71.717 28.389 -9.257 1.00 0.00 C ATOM 0 H LEU A 49 70.367 30.035 -5.464 1.00 0.00 H new ATOM 0 HA LEU A 49 68.867 29.448 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 49 70.507 27.544 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 49 69.931 27.304 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 49 71.746 29.617 -7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 49 73.759 28.198 -7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 49 72.785 27.996 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 49 72.734 26.757 -7.282 1.00 0.00 H new ATOM 0 HD21 LEU A 49 72.675 28.754 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 49 71.608 27.335 -9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 49 70.910 28.959 -9.717 1.00 0.00 H new ATOM 778 N GLY A 50 67.949 28.944 -4.933 1.00 0.00 N ATOM 779 CA GLY A 50 66.878 28.444 -4.091 1.00 0.00 C ATOM 780 C GLY A 50 67.104 27.010 -3.656 1.00 0.00 C ATOM 781 O GLY A 50 67.509 26.753 -2.521 1.00 0.00 O ATOM 0 H GLY A 50 68.561 29.627 -4.487 1.00 0.00 H new ATOM 0 HA2 GLY A 50 66.787 29.078 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 65.934 28.512 -4.631 1.00 0.00 H new ATOM 785 N THR A 51 66.840 26.071 -4.559 1.00 0.00 N ATOM 786 CA THR A 51 67.014 24.654 -4.262 1.00 0.00 C ATOM 787 C THR A 51 67.122 23.833 -5.542 1.00 0.00 C ATOM 788 O THR A 51 66.249 23.022 -5.846 1.00 0.00 O ATOM 789 CB THR A 51 65.849 24.111 -3.414 1.00 0.00 C ATOM 790 OG1 THR A 51 65.507 25.053 -2.391 1.00 0.00 O ATOM 791 CG2 THR A 51 66.217 22.778 -2.780 1.00 0.00 C ATOM 0 H THR A 51 66.505 26.266 -5.502 1.00 0.00 H new ATOM 0 HA THR A 51 67.940 24.561 -3.695 1.00 0.00 H new ATOM 0 HB THR A 51 64.991 23.960 -4.069 1.00 0.00 H new ATOM 0 HG1 THR A 51 66.312 25.537 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 51 65.379 22.414 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 51 66.449 22.055 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.088 22.909 -2.137 1.00 0.00 H new ATOM 799 N GLY A 52 68.200 24.050 -6.290 1.00 0.00 N ATOM 800 CA GLY A 52 68.402 23.322 -7.528 1.00 0.00 C ATOM 801 C GLY A 52 69.718 22.570 -7.551 1.00 0.00 C ATOM 802 O GLY A 52 69.839 21.498 -6.958 1.00 0.00 O ATOM 0 H GLY A 52 68.937 24.717 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.582 22.618 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.371 24.019 -8.365 1.00 0.00 H new ATOM 806 N ARG A 53 70.707 23.132 -8.238 1.00 0.00 N ATOM 807 CA ARG A 53 72.020 22.507 -8.338 1.00 0.00 C ATOM 808 C ARG A 53 73.006 23.154 -7.370 1.00 0.00 C ATOM 809 O ARG A 53 73.145 24.377 -7.335 1.00 0.00 O ATOM 810 CB ARG A 53 72.551 22.612 -9.769 1.00 0.00 C ATOM 811 CG ARG A 53 71.513 22.282 -10.829 1.00 0.00 C ATOM 812 CD ARG A 53 72.100 22.372 -12.230 1.00 0.00 C ATOM 813 NE ARG A 53 71.134 21.982 -13.253 1.00 0.00 N ATOM 814 CZ ARG A 53 71.451 21.792 -14.529 1.00 0.00 C ATOM 815 NH1 ARG A 53 72.703 21.955 -14.936 1.00 0.00 N ATOM 816 NH2 ARG A 53 70.516 21.438 -15.401 1.00 0.00 N ATOM 0 H ARG A 53 70.624 24.019 -8.734 1.00 0.00 H new ATOM 0 HA ARG A 53 71.914 21.455 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 53 72.921 23.623 -9.937 1.00 0.00 H new ATOM 0 HB3 ARG A 53 73.401 21.939 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 53 71.125 21.278 -10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 53 70.671 22.968 -10.741 1.00 0.00 H new ATOM 0 HD2 ARG A 53 72.435 23.392 -12.418 1.00 0.00 H new ATOM 0 HD3 ARG A 53 72.978 21.730 -12.297 1.00 0.00 H new ATOM 0 HE ARG A 53 70.162 21.848 -12.973 1.00 0.00 H new ATOM 0 HH11 ARG A 53 73.425 22.227 -14.269 1.00 0.00 H new ATOM 0 HH12 ARG A 53 72.944 21.808 -15.916 1.00 0.00 H new ATOM 0 HH21 ARG A 53 69.552 21.311 -15.092 1.00 0.00 H new ATOM 0 HH22 ARG A 53 70.761 21.292 -16.380 1.00 0.00 H new ATOM 830 N TRP A 54 73.687 22.326 -6.586 1.00 0.00 N ATOM 831 CA TRP A 54 74.659 22.818 -5.616 1.00 0.00 C ATOM 832 C TRP A 54 75.901 23.358 -6.317 1.00 0.00 C ATOM 833 O TRP A 54 76.604 24.215 -5.781 1.00 0.00 O ATOM 834 CB TRP A 54 75.050 21.704 -4.644 1.00 0.00 C ATOM 835 CG TRP A 54 75.316 20.393 -5.320 1.00 0.00 C ATOM 836 CD1 TRP A 54 76.325 20.112 -6.197 1.00 0.00 C ATOM 837 CD2 TRP A 54 74.560 19.185 -5.176 1.00 0.00 C ATOM 838 NE1 TRP A 54 76.242 18.803 -6.606 1.00 0.00 N ATOM 839 CE2 TRP A 54 75.168 18.213 -5.994 1.00 0.00 C ATOM 840 CE3 TRP A 54 73.430 18.830 -4.434 1.00 0.00 C ATOM 841 CZ2 TRP A 54 74.682 16.912 -6.089 1.00 0.00 C ATOM 842 CZ3 TRP A 54 72.949 17.539 -4.530 1.00 0.00 C ATOM 843 CH2 TRP A 54 73.574 16.592 -5.352 1.00 0.00 C ATOM 0 H TRP A 54 73.584 21.311 -6.603 1.00 0.00 H new ATOM 0 HA TRP A 54 74.197 23.632 -5.057 1.00 0.00 H new ATOM 0 HB2 TRP A 54 75.940 22.008 -4.093 1.00 0.00 H new ATOM 0 HB3 TRP A 54 74.252 21.573 -3.913 1.00 0.00 H new ATOM 0 HD1 TRP A 54 77.078 20.816 -6.521 1.00 0.00 H new ATOM 0 HE1 TRP A 54 76.877 18.345 -7.259 1.00 0.00 H new ATOM 0 HE3 TRP A 54 72.942 19.552 -3.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 75.162 16.181 -6.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 72.076 17.254 -3.962 1.00 0.00 H new ATOM 0 HH2 TRP A 54 73.174 15.590 -5.405 1.00 0.00 H new ATOM 854 N ARG A 55 76.165 22.851 -7.517 1.00 0.00 N ATOM 855 CA ARG A 55 77.324 23.282 -8.290 1.00 0.00 C ATOM 856 C ARG A 55 77.305 24.793 -8.501 1.00 0.00 C ATOM 857 O ARG A 55 78.326 25.464 -8.349 1.00 0.00 O ATOM 858 CB ARG A 55 77.356 22.568 -9.642 1.00 0.00 C ATOM 859 CG ARG A 55 76.074 22.724 -10.444 1.00 0.00 C ATOM 860 CD ARG A 55 75.940 21.636 -11.498 1.00 0.00 C ATOM 861 NE ARG A 55 75.660 20.331 -10.906 1.00 0.00 N ATOM 862 CZ ARG A 55 75.826 19.181 -11.549 1.00 0.00 C ATOM 863 NH1 ARG A 55 76.268 19.175 -12.799 1.00 0.00 N ATOM 864 NH2 ARG A 55 75.549 18.034 -10.943 1.00 0.00 N ATOM 0 H ARG A 55 75.592 22.142 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 55 78.221 23.022 -7.728 1.00 0.00 H new ATOM 0 HB2 ARG A 55 78.190 22.954 -10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.546 21.507 -9.479 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.217 22.689 -9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 55 76.061 23.702 -10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 55 75.140 21.899 -12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 55 76.860 21.580 -12.080 1.00 0.00 H new ATOM 0 HE ARG A 55 75.318 20.301 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 55 76.481 20.055 -13.269 1.00 0.00 H new ATOM 0 HH12 ARG A 55 76.395 18.290 -13.291 1.00 0.00 H new ATOM 0 HH21 ARG A 55 75.208 18.034 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 55 75.677 17.152 -11.438 1.00 0.00 H new ATOM 878 N ASP A 56 76.138 25.321 -8.852 1.00 0.00 N ATOM 879 CA ASP A 56 75.986 26.753 -9.083 1.00 0.00 C ATOM 880 C ASP A 56 76.247 27.542 -7.804 1.00 0.00 C ATOM 881 O ASP A 56 76.653 28.703 -7.850 1.00 0.00 O ATOM 882 CB ASP A 56 74.582 27.060 -9.609 1.00 0.00 C ATOM 883 CG ASP A 56 74.454 26.810 -11.099 1.00 0.00 C ATOM 884 OD1 ASP A 56 74.598 25.643 -11.519 1.00 0.00 O ATOM 885 OD2 ASP A 56 74.210 27.782 -11.844 1.00 0.00 O ATOM 0 H ASP A 56 75.284 24.779 -8.983 1.00 0.00 H new ATOM 0 HA ASP A 56 76.720 27.055 -9.830 1.00 0.00 H new ATOM 0 HB2 ASP A 56 73.856 26.446 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 56 74.337 28.100 -9.396 1.00 0.00 H new ATOM 890 N VAL A 57 76.010 26.903 -6.662 1.00 0.00 N ATOM 891 CA VAL A 57 76.220 27.544 -5.370 1.00 0.00 C ATOM 892 C VAL A 57 77.703 27.771 -5.103 1.00 0.00 C ATOM 893 O VAL A 57 78.121 28.875 -4.753 1.00 0.00 O ATOM 894 CB VAL A 57 75.626 26.704 -4.224 1.00 0.00 C ATOM 895 CG1 VAL A 57 75.784 27.426 -2.894 1.00 0.00 C ATOM 896 CG2 VAL A 57 74.164 26.388 -4.497 1.00 0.00 C ATOM 0 H VAL A 57 75.673 25.942 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 57 75.710 28.506 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 57 76.173 25.763 -4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 57 75.358 26.817 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 57 76.842 27.596 -2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 57 75.265 28.383 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 57 73.761 25.794 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 57 73.601 27.317 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 57 74.081 25.826 -5.427 1.00 0.00 H new ATOM 906 N LYS A 58 78.497 26.719 -5.271 1.00 0.00 N ATOM 907 CA LYS A 58 79.936 26.802 -5.050 1.00 0.00 C ATOM 908 C LYS A 58 80.587 27.746 -6.057 1.00 0.00 C ATOM 909 O LYS A 58 81.554 28.438 -5.738 1.00 0.00 O ATOM 910 CB LYS A 58 80.570 25.413 -5.154 1.00 0.00 C ATOM 911 CG LYS A 58 82.060 25.401 -4.863 1.00 0.00 C ATOM 912 CD LYS A 58 82.815 24.527 -5.851 1.00 0.00 C ATOM 913 CE LYS A 58 84.288 24.898 -5.912 1.00 0.00 C ATOM 914 NZ LYS A 58 84.524 26.097 -6.764 1.00 0.00 N ATOM 0 H LYS A 58 78.168 25.798 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 58 80.102 27.196 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 58 80.067 24.740 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.401 25.020 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 58 82.448 26.419 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 58 82.231 25.037 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.714 23.480 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.372 24.630 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 58 84.656 25.091 -4.904 1.00 0.00 H new ATOM 0 HE3 LYS A 58 84.859 24.056 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 85.540 26.317 -6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 84.196 25.905 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 84.000 26.907 -6.376 1.00 0.00 H new ATOM 928 N PHE A 59 80.049 27.770 -7.272 1.00 0.00 N ATOM 929 CA PHE A 59 80.578 28.630 -8.324 1.00 0.00 C ATOM 930 C PHE A 59 80.146 30.078 -8.111 1.00 0.00 C ATOM 931 O PHE A 59 80.954 31.000 -8.221 1.00 0.00 O ATOM 932 CB PHE A 59 80.106 28.142 -9.696 1.00 0.00 C ATOM 933 CG PHE A 59 80.784 26.880 -10.148 1.00 0.00 C ATOM 934 CD1 PHE A 59 82.159 26.744 -10.052 1.00 0.00 C ATOM 935 CD2 PHE A 59 80.046 25.831 -10.671 1.00 0.00 C ATOM 936 CE1 PHE A 59 82.786 25.585 -10.467 1.00 0.00 C ATOM 937 CE2 PHE A 59 80.667 24.669 -11.088 1.00 0.00 C ATOM 938 CZ PHE A 59 82.039 24.546 -10.987 1.00 0.00 C ATOM 0 H PHE A 59 79.248 27.204 -7.552 1.00 0.00 H new ATOM 0 HA PHE A 59 81.666 28.584 -8.284 1.00 0.00 H new ATOM 0 HB2 PHE A 59 79.029 27.975 -9.663 1.00 0.00 H new ATOM 0 HB3 PHE A 59 80.285 28.925 -10.433 1.00 0.00 H new ATOM 0 HD1 PHE A 59 82.748 27.554 -9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 59 78.973 25.922 -10.754 1.00 0.00 H new ATOM 0 HE1 PHE A 59 83.859 25.491 -10.385 1.00 0.00 H new ATOM 0 HE2 PHE A 59 80.080 23.858 -11.493 1.00 0.00 H new ATOM 0 HZ PHE A 59 82.527 23.639 -11.314 1.00 0.00 H new ATOM 948 N ARG A 60 78.867 30.269 -7.807 1.00 0.00 N ATOM 949 CA ARG A 60 78.326 31.604 -7.581 1.00 0.00 C ATOM 950 C ARG A 60 78.913 32.221 -6.315 1.00 0.00 C ATOM 951 O ARG A 60 79.294 33.391 -6.302 1.00 0.00 O ATOM 952 CB ARG A 60 76.801 31.549 -7.475 1.00 0.00 C ATOM 953 CG ARG A 60 76.170 32.873 -7.075 1.00 0.00 C ATOM 954 CD ARG A 60 76.415 33.946 -8.125 1.00 0.00 C ATOM 955 NE ARG A 60 75.997 33.515 -9.456 1.00 0.00 N ATOM 956 CZ ARG A 60 76.173 34.242 -10.554 1.00 0.00 C ATOM 957 NH1 ARG A 60 76.759 35.430 -10.479 1.00 0.00 N ATOM 958 NH2 ARG A 60 75.765 33.782 -11.729 1.00 0.00 N ATOM 0 H ARG A 60 78.186 29.516 -7.711 1.00 0.00 H new ATOM 0 HA ARG A 60 78.601 32.229 -8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 60 76.390 31.235 -8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 60 76.523 30.789 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 60 75.098 32.738 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 60 76.579 33.198 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 60 75.874 34.852 -7.851 1.00 0.00 H new ATOM 0 HD3 ARG A 60 77.475 34.201 -8.143 1.00 0.00 H new ATOM 0 HE ARG A 60 75.545 32.605 -9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 60 77.075 35.787 -9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 60 76.893 35.987 -11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 60 75.315 32.869 -11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 60 75.901 34.342 -12.571 1.00 0.00 H new ATOM 972 N ALA A 61 78.983 31.425 -5.253 1.00 0.00 N ATOM 973 CA ALA A 61 79.525 31.892 -3.983 1.00 0.00 C ATOM 974 C ALA A 61 80.896 32.533 -4.173 1.00 0.00 C ATOM 975 O ALA A 61 81.060 33.739 -3.989 1.00 0.00 O ATOM 976 CB ALA A 61 79.611 30.742 -2.991 1.00 0.00 C ATOM 0 H ALA A 61 78.671 30.454 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 61 78.850 32.650 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 61 80.017 31.105 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 61 78.615 30.331 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 61 80.262 29.964 -3.391 1.00 0.00 H new ATOM 982 N PHE A 62 81.878 31.717 -4.541 1.00 0.00 N ATOM 983 CA PHE A 62 83.236 32.204 -4.754 1.00 0.00 C ATOM 984 C PHE A 62 84.123 31.107 -5.336 1.00 0.00 C ATOM 985 O PHE A 62 84.697 30.304 -4.600 1.00 0.00 O ATOM 986 CB PHE A 62 83.831 32.712 -3.439 1.00 0.00 C ATOM 987 CG PHE A 62 83.996 34.204 -3.393 1.00 0.00 C ATOM 988 CD1 PHE A 62 84.917 34.838 -4.213 1.00 0.00 C ATOM 989 CD2 PHE A 62 83.231 34.973 -2.531 1.00 0.00 C ATOM 990 CE1 PHE A 62 85.071 36.211 -4.172 1.00 0.00 C ATOM 991 CE2 PHE A 62 83.381 36.347 -2.486 1.00 0.00 C ATOM 992 CZ PHE A 62 84.302 36.966 -3.308 1.00 0.00 C ATOM 0 H PHE A 62 81.759 30.716 -4.698 1.00 0.00 H new ATOM 0 HA PHE A 62 83.192 33.027 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.190 32.400 -2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 62 84.802 32.242 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.520 34.253 -4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 62 82.509 34.494 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 62 85.792 36.693 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 62 82.779 36.935 -1.809 1.00 0.00 H new ATOM 0 HZ PHE A 62 84.421 38.039 -3.275 1.00 0.00 H new ATOM 1002 N GLU A 63 84.228 31.079 -6.661 1.00 0.00 N ATOM 1003 CA GLU A 63 85.043 30.079 -7.341 1.00 0.00 C ATOM 1004 C GLU A 63 86.509 30.499 -7.368 1.00 0.00 C ATOM 1005 O GLU A 63 87.148 30.496 -8.419 1.00 0.00 O ATOM 1006 CB GLU A 63 84.537 29.862 -8.769 1.00 0.00 C ATOM 1007 CG GLU A 63 84.632 31.101 -9.643 1.00 0.00 C ATOM 1008 CD GLU A 63 83.335 31.884 -9.689 1.00 0.00 C ATOM 1009 OE1 GLU A 63 82.388 31.423 -10.362 1.00 0.00 O ATOM 1010 OE2 GLU A 63 83.265 32.956 -9.054 1.00 0.00 O ATOM 0 H GLU A 63 83.759 31.737 -7.284 1.00 0.00 H new ATOM 0 HA GLU A 63 84.961 29.143 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.110 29.058 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 63 83.499 29.533 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 63 85.428 31.745 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 84.910 30.807 -10.655 1.00 0.00 H new ATOM 1081 N ARG A 68 84.920 24.819 0.224 1.00 0.00 N ATOM 1082 CA ARG A 68 85.004 23.440 0.688 1.00 0.00 C ATOM 1083 C ARG A 68 84.422 22.482 -0.347 1.00 0.00 C ATOM 1084 O ARG A 68 85.157 21.792 -1.054 1.00 0.00 O ATOM 1085 CB ARG A 68 84.266 23.280 2.018 1.00 0.00 C ATOM 1086 CG ARG A 68 84.902 24.049 3.164 1.00 0.00 C ATOM 1087 CD ARG A 68 85.941 23.209 3.890 1.00 0.00 C ATOM 1088 NE ARG A 68 85.327 22.232 4.784 1.00 0.00 N ATOM 1089 CZ ARG A 68 86.013 21.503 5.658 1.00 0.00 C ATOM 1090 NH1 ARG A 68 87.328 21.642 5.755 1.00 0.00 N ATOM 1091 NH2 ARG A 68 85.382 20.634 6.438 1.00 0.00 N ATOM 0 HA ARG A 68 86.056 23.196 0.833 1.00 0.00 H new ATOM 0 HB2 ARG A 68 83.236 23.615 1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 68 84.229 22.222 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 68 85.369 24.956 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 68 84.130 24.362 3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 68 86.563 22.691 3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 68 86.599 23.862 4.464 1.00 0.00 H new ATOM 0 HE ARG A 68 84.317 22.102 4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 68 87.816 22.310 5.158 1.00 0.00 H new ATOM 0 HH12 ARG A 68 87.852 21.081 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 68 84.370 20.526 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 68 85.909 20.075 7.109 1.00 0.00 H new ATOM 1105 N THR A 69 83.096 22.443 -0.431 1.00 0.00 N ATOM 1106 CA THR A 69 82.414 21.570 -1.378 1.00 0.00 C ATOM 1107 C THR A 69 80.978 22.024 -1.610 1.00 0.00 C ATOM 1108 O THR A 69 80.383 22.692 -0.764 1.00 0.00 O ATOM 1109 CB THR A 69 82.406 20.109 -0.888 1.00 0.00 C ATOM 1110 OG1 THR A 69 83.703 19.748 -0.402 1.00 0.00 O ATOM 1111 CG2 THR A 69 81.997 19.165 -2.009 1.00 0.00 C ATOM 0 H THR A 69 82.472 23.007 0.146 1.00 0.00 H new ATOM 0 HA THR A 69 82.966 21.629 -2.316 1.00 0.00 H new ATOM 0 HB THR A 69 81.680 20.024 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 69 84.388 20.235 -0.906 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.999 18.139 -1.640 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.997 19.424 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 69 82.702 19.254 -2.835 1.00 0.00 H new ATOM 1119 N TYR A 70 80.426 21.659 -2.762 1.00 0.00 N ATOM 1120 CA TYR A 70 79.059 22.031 -3.107 1.00 0.00 C ATOM 1121 C TYR A 70 78.100 21.694 -1.969 1.00 0.00 C ATOM 1122 O TYR A 70 77.457 22.577 -1.401 1.00 0.00 O ATOM 1123 CB TYR A 70 78.621 21.317 -4.387 1.00 0.00 C ATOM 1124 CG TYR A 70 79.721 21.192 -5.416 1.00 0.00 C ATOM 1125 CD1 TYR A 70 80.096 22.278 -6.197 1.00 0.00 C ATOM 1126 CD2 TYR A 70 80.386 19.986 -5.608 1.00 0.00 C ATOM 1127 CE1 TYR A 70 81.100 22.167 -7.140 1.00 0.00 C ATOM 1128 CE2 TYR A 70 81.392 19.867 -6.547 1.00 0.00 C ATOM 1129 CZ TYR A 70 81.745 20.960 -7.311 1.00 0.00 C ATOM 1130 OH TYR A 70 82.746 20.846 -8.248 1.00 0.00 O ATOM 0 H TYR A 70 80.904 21.106 -3.473 1.00 0.00 H new ATOM 0 HA TYR A 70 79.033 23.108 -3.273 1.00 0.00 H new ATOM 0 HB2 TYR A 70 78.259 20.321 -4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 70 77.783 21.858 -4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 70 79.594 23.225 -6.065 1.00 0.00 H new ATOM 0 HD2 TYR A 70 80.111 19.128 -5.013 1.00 0.00 H new ATOM 0 HE1 TYR A 70 81.378 23.021 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A 70 81.899 18.923 -6.682 1.00 0.00 H new ATOM 0 HH TYR A 70 83.098 19.931 -8.241 1.00 0.00 H new ATOM 1140 N VAL A 71 78.009 20.409 -1.642 1.00 0.00 N ATOM 1141 CA VAL A 71 77.130 19.953 -0.571 1.00 0.00 C ATOM 1142 C VAL A 71 77.458 20.651 0.744 1.00 0.00 C ATOM 1143 O VAL A 71 76.574 20.894 1.566 1.00 0.00 O ATOM 1144 CB VAL A 71 77.233 18.429 -0.371 1.00 0.00 C ATOM 1145 CG1 VAL A 71 78.625 18.047 0.110 1.00 0.00 C ATOM 1146 CG2 VAL A 71 76.172 17.948 0.607 1.00 0.00 C ATOM 0 H VAL A 71 78.533 19.665 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 71 76.112 20.205 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 71 77.059 17.941 -1.330 1.00 0.00 H new ATOM 0 HG11 VAL A 71 78.679 16.967 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 71 79.363 18.357 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 71 78.831 18.543 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 71 76.259 16.869 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 71 76.313 18.442 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 71 75.183 18.188 0.218 1.00 0.00 H new ATOM 1156 N ASP A 72 78.732 20.972 0.935 1.00 0.00 N ATOM 1157 CA ASP A 72 79.178 21.644 2.150 1.00 0.00 C ATOM 1158 C ASP A 72 78.442 22.967 2.340 1.00 0.00 C ATOM 1159 O ASP A 72 77.981 23.282 3.438 1.00 0.00 O ATOM 1160 CB ASP A 72 80.687 21.888 2.100 1.00 0.00 C ATOM 1161 CG ASP A 72 81.399 21.366 3.332 1.00 0.00 C ATOM 1162 OD1 ASP A 72 80.883 21.578 4.449 1.00 0.00 O ATOM 1163 OD2 ASP A 72 82.473 20.746 3.180 1.00 0.00 O ATOM 0 H ASP A 72 79.475 20.778 0.264 1.00 0.00 H new ATOM 0 HA ASP A 72 78.951 20.997 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 72 81.101 21.407 1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 72 80.876 22.957 2.000 1.00 0.00 H new ATOM 1168 N LEU A 73 78.337 23.739 1.264 1.00 0.00 N ATOM 1169 CA LEU A 73 77.658 25.029 1.311 1.00 0.00 C ATOM 1170 C LEU A 73 76.157 24.848 1.510 1.00 0.00 C ATOM 1171 O LEU A 73 75.559 25.456 2.398 1.00 0.00 O ATOM 1172 CB LEU A 73 77.923 25.815 0.026 1.00 0.00 C ATOM 1173 CG LEU A 73 79.351 25.754 -0.516 1.00 0.00 C ATOM 1174 CD1 LEU A 73 79.569 26.828 -1.570 1.00 0.00 C ATOM 1175 CD2 LEU A 73 80.358 25.903 0.616 1.00 0.00 C ATOM 0 H LEU A 73 78.713 23.494 0.348 1.00 0.00 H new ATOM 0 HA LEU A 73 78.053 25.588 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 73 77.247 25.448 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 73 77.668 26.860 0.204 1.00 0.00 H new ATOM 0 HG LEU A 73 79.500 24.780 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 73 80.591 26.769 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 73 78.872 26.676 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.401 27.810 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 73 81.369 25.857 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.209 26.862 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 73 80.218 25.097 1.336 1.00 0.00 H new ATOM 1187 N LYS A 74 75.553 24.006 0.678 1.00 0.00 N ATOM 1188 CA LYS A 74 74.121 23.740 0.764 1.00 0.00 C ATOM 1189 C LYS A 74 73.739 23.264 2.161 1.00 0.00 C ATOM 1190 O LYS A 74 72.777 23.755 2.753 1.00 0.00 O ATOM 1191 CB LYS A 74 73.714 22.691 -0.274 1.00 0.00 C ATOM 1192 CG LYS A 74 72.242 22.742 -0.644 1.00 0.00 C ATOM 1193 CD LYS A 74 71.937 21.858 -1.841 1.00 0.00 C ATOM 1194 CE LYS A 74 70.448 21.834 -2.152 1.00 0.00 C ATOM 1195 NZ LYS A 74 69.680 21.076 -1.126 1.00 0.00 N ATOM 0 H LYS A 74 76.033 23.496 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 74 73.590 24.670 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 74 74.312 22.832 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 74 73.949 21.699 0.112 1.00 0.00 H new ATOM 0 HG2 LYS A 74 71.641 22.423 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 74 71.958 23.770 -0.868 1.00 0.00 H new ATOM 0 HD2 LYS A 74 72.486 22.220 -2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 74 72.285 20.844 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 74 70.072 22.856 -2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 74 70.289 21.383 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 68.695 20.966 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 70.108 20.137 -0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 69.700 21.594 -0.225 1.00 0.00 H new ATOM 1209 N ASP A 75 74.498 22.307 2.684 1.00 0.00 N ATOM 1210 CA ASP A 75 74.239 21.766 4.013 1.00 0.00 C ATOM 1211 C ASP A 75 74.438 22.836 5.083 1.00 0.00 C ATOM 1212 O ASP A 75 73.701 22.888 6.068 1.00 0.00 O ATOM 1213 CB ASP A 75 75.157 20.574 4.289 1.00 0.00 C ATOM 1214 CG ASP A 75 74.521 19.557 5.216 1.00 0.00 C ATOM 1215 OD1 ASP A 75 73.372 19.785 5.650 1.00 0.00 O ATOM 1216 OD2 ASP A 75 75.171 18.531 5.506 1.00 0.00 O ATOM 0 H ASP A 75 75.298 21.890 2.208 1.00 0.00 H new ATOM 0 HA ASP A 75 73.202 21.432 4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 75 75.414 20.091 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 75 76.088 20.930 4.729 1.00 0.00 H new ATOM 1221 N LYS A 76 75.439 23.686 4.883 1.00 0.00 N ATOM 1222 CA LYS A 76 75.735 24.755 5.829 1.00 0.00 C ATOM 1223 C LYS A 76 74.531 25.674 6.007 1.00 0.00 C ATOM 1224 O LYS A 76 74.183 26.045 7.128 1.00 0.00 O ATOM 1225 CB LYS A 76 76.942 25.566 5.351 1.00 0.00 C ATOM 1226 CG LYS A 76 77.503 26.502 6.408 1.00 0.00 C ATOM 1227 CD LYS A 76 78.469 25.782 7.334 1.00 0.00 C ATOM 1228 CE LYS A 76 79.891 25.825 6.798 1.00 0.00 C ATOM 1229 NZ LYS A 76 80.858 25.196 7.740 1.00 0.00 N ATOM 0 H LYS A 76 76.059 23.655 4.074 1.00 0.00 H new ATOM 0 HA LYS A 76 75.968 24.300 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 76 77.727 24.880 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 76 76.654 26.150 4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 76 78.014 27.335 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 76 76.685 26.925 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 76 78.438 26.241 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 76 78.155 24.745 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 76 79.933 25.311 5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 76 80.180 26.860 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 81.816 25.245 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 80.837 25.702 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 80.597 24.201 7.892 1.00 0.00 H new ATOM 1243 N TRP A 77 73.898 26.035 4.897 1.00 0.00 N ATOM 1244 CA TRP A 77 72.731 26.909 4.932 1.00 0.00 C ATOM 1245 C TRP A 77 71.554 26.219 5.613 1.00 0.00 C ATOM 1246 O TRP A 77 70.920 26.785 6.503 1.00 0.00 O ATOM 1247 CB TRP A 77 72.341 27.330 3.514 1.00 0.00 C ATOM 1248 CG TRP A 77 70.971 27.933 3.429 1.00 0.00 C ATOM 1249 CD1 TRP A 77 70.628 29.227 3.696 1.00 0.00 C ATOM 1250 CD2 TRP A 77 69.762 27.264 3.054 1.00 0.00 C ATOM 1251 NE1 TRP A 77 69.278 29.404 3.509 1.00 0.00 N ATOM 1252 CE2 TRP A 77 68.725 28.215 3.114 1.00 0.00 C ATOM 1253 CE3 TRP A 77 69.456 25.956 2.671 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 67.405 27.896 2.807 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 68.145 25.641 2.366 1.00 0.00 C ATOM 1256 CH2 TRP A 77 67.133 26.607 2.435 1.00 0.00 C ATOM 0 H TRP A 77 74.173 25.736 3.961 1.00 0.00 H new ATOM 0 HA TRP A 77 72.990 27.797 5.509 1.00 0.00 H new ATOM 0 HB2 TRP A 77 73.071 28.050 3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 77 72.389 26.461 2.858 1.00 0.00 H new ATOM 0 HD1 TRP A 77 71.316 29.998 4.008 1.00 0.00 H new ATOM 0 HE1 TRP A 77 68.770 30.279 3.643 1.00 0.00 H new ATOM 0 HE3 TRP A 77 70.230 25.204 2.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 66.623 28.639 2.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 67.897 24.633 2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 77 66.118 26.329 2.190 1.00 0.00 H new ATOM 1267 N LYS A 78 71.267 24.993 5.189 1.00 0.00 N ATOM 1268 CA LYS A 78 70.167 24.224 5.758 1.00 0.00 C ATOM 1269 C LYS A 78 70.272 24.168 7.279 1.00 0.00 C ATOM 1270 O LYS A 78 69.283 24.356 7.988 1.00 0.00 O ATOM 1271 CB LYS A 78 70.159 22.805 5.184 1.00 0.00 C ATOM 1272 CG LYS A 78 69.157 21.883 5.858 1.00 0.00 C ATOM 1273 CD LYS A 78 67.735 22.394 5.700 1.00 0.00 C ATOM 1274 CE LYS A 78 66.717 21.364 6.167 1.00 0.00 C ATOM 1275 NZ LYS A 78 66.845 20.081 5.421 1.00 0.00 N ATOM 0 H LYS A 78 71.782 24.510 4.452 1.00 0.00 H new ATOM 0 HA LYS A 78 69.234 24.722 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 78 69.935 22.854 4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 78 71.157 22.377 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 78 69.235 20.884 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 78 69.397 21.795 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 78 67.612 23.314 6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 78 67.550 22.642 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 78 66.850 21.179 7.233 1.00 0.00 H new ATOM 0 HE3 LYS A 78 65.711 21.762 6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 65.955 19.547 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 67.049 20.280 4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 67.620 19.519 5.827 1.00 0.00 H new ATOM 1289 N THR A 79 71.478 23.909 7.775 1.00 0.00 N ATOM 1290 CA THR A 79 71.713 23.829 9.211 1.00 0.00 C ATOM 1291 C THR A 79 71.456 25.171 9.886 1.00 0.00 C ATOM 1292 O THR A 79 70.710 25.255 10.862 1.00 0.00 O ATOM 1293 CB THR A 79 73.153 23.378 9.521 1.00 0.00 C ATOM 1294 OG1 THR A 79 73.554 22.355 8.604 1.00 0.00 O ATOM 1295 CG2 THR A 79 73.262 22.860 10.947 1.00 0.00 C ATOM 0 H THR A 79 72.307 23.751 7.203 1.00 0.00 H new ATOM 0 HA THR A 79 71.016 23.089 9.604 1.00 0.00 H new ATOM 0 HB THR A 79 73.812 24.240 9.413 1.00 0.00 H new ATOM 0 HG1 THR A 79 73.894 22.767 7.782 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.288 22.547 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 79 72.984 23.651 11.644 1.00 0.00 H new ATOM 0 HG23 THR A 79 72.592 22.010 11.078 1.00 0.00 H new ATOM 1303 N LEU A 80 72.077 26.221 9.360 1.00 0.00 N ATOM 1304 CA LEU A 80 71.915 27.562 9.911 1.00 0.00 C ATOM 1305 C LEU A 80 70.448 27.980 9.903 1.00 0.00 C ATOM 1306 O LEU A 80 70.003 28.735 10.767 1.00 0.00 O ATOM 1307 CB LEU A 80 72.748 28.567 9.113 1.00 0.00 C ATOM 1308 CG LEU A 80 71.981 29.430 8.112 1.00 0.00 C ATOM 1309 CD1 LEU A 80 71.356 30.628 8.810 1.00 0.00 C ATOM 1310 CD2 LEU A 80 72.898 29.885 6.986 1.00 0.00 C ATOM 0 H LEU A 80 72.698 26.170 8.552 1.00 0.00 H new ATOM 0 HA LEU A 80 72.264 27.549 10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 80 73.256 29.227 9.816 1.00 0.00 H new ATOM 0 HB3 LEU A 80 73.521 28.020 8.573 1.00 0.00 H new ATOM 0 HG LEU A 80 71.181 28.828 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 80 70.814 31.231 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 80 70.666 30.282 9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 80 72.139 31.231 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 80 72.334 30.498 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 73.720 30.470 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.298 29.013 6.468 1.00 0.00 H new ATOM 1322 N VAL A 81 69.702 27.483 8.922 1.00 0.00 N ATOM 1323 CA VAL A 81 68.284 27.802 8.804 1.00 0.00 C ATOM 1324 C VAL A 81 67.484 27.184 9.945 1.00 0.00 C ATOM 1325 O VAL A 81 66.663 27.851 10.575 1.00 0.00 O ATOM 1326 CB VAL A 81 67.708 27.311 7.462 1.00 0.00 C ATOM 1327 CG1 VAL A 81 66.194 27.454 7.446 1.00 0.00 C ATOM 1328 CG2 VAL A 81 68.337 28.069 6.303 1.00 0.00 C ATOM 0 H VAL A 81 70.056 26.858 8.198 1.00 0.00 H new ATOM 0 HA VAL A 81 68.199 28.888 8.852 1.00 0.00 H new ATOM 0 HB VAL A 81 67.949 26.254 7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 81 65.805 27.102 6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 81 65.764 26.861 8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 81 65.926 28.502 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.918 27.709 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 81 68.129 29.134 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.415 27.908 6.305 1.00 0.00 H new ATOM 1338 N HIS A 82 67.729 25.903 10.206 1.00 0.00 N ATOM 1339 CA HIS A 82 67.032 25.194 11.273 1.00 0.00 C ATOM 1340 C HIS A 82 67.309 25.841 12.627 1.00 0.00 C ATOM 1341 O HIS A 82 66.412 25.969 13.461 1.00 0.00 O ATOM 1342 CB HIS A 82 67.456 23.725 11.300 1.00 0.00 C ATOM 1343 CG HIS A 82 66.608 22.873 12.193 1.00 0.00 C ATOM 1344 ND1 HIS A 82 65.238 23.004 12.279 1.00 0.00 N ATOM 1345 CD2 HIS A 82 66.943 21.872 13.040 1.00 0.00 C ATOM 1346 CE1 HIS A 82 64.767 22.122 13.142 1.00 0.00 C ATOM 1347 NE2 HIS A 82 65.781 21.422 13.618 1.00 0.00 N ATOM 0 H HIS A 82 68.404 25.336 9.693 1.00 0.00 H new ATOM 0 HA HIS A 82 65.962 25.252 11.075 1.00 0.00 H new ATOM 0 HB2 HIS A 82 67.417 23.326 10.287 1.00 0.00 H new ATOM 0 HB3 HIS A 82 68.493 23.661 11.628 1.00 0.00 H new ATOM 0 HD2 HIS A 82 67.938 21.497 13.227 1.00 0.00 H new ATOM 0 HE1 HIS A 82 63.729 21.995 13.412 1.00 0.00 H new ATOM 0 HE2 HIS A 82 65.712 20.670 14.303 1.00 0.00 H new ATOM 1355 N THR A 83 68.557 26.246 12.839 1.00 0.00 N ATOM 1356 CA THR A 83 68.953 26.877 14.092 1.00 0.00 C ATOM 1357 C THR A 83 68.385 28.288 14.200 1.00 0.00 C ATOM 1358 O THR A 83 68.111 28.774 15.297 1.00 0.00 O ATOM 1359 CB THR A 83 70.486 26.941 14.229 1.00 0.00 C ATOM 1360 OG1 THR A 83 71.040 25.623 14.147 1.00 0.00 O ATOM 1361 CG2 THR A 83 70.885 27.583 15.549 1.00 0.00 C ATOM 0 H THR A 83 69.311 26.148 12.159 1.00 0.00 H new ATOM 0 HA THR A 83 68.549 26.263 14.897 1.00 0.00 H new ATOM 0 HB THR A 83 70.877 27.551 13.414 1.00 0.00 H new ATOM 0 HG1 THR A 83 71.029 25.321 13.215 1.00 0.00 H new ATOM 0 HG21 THR A 83 71.972 27.617 15.623 1.00 0.00 H new ATOM 0 HG22 THR A 83 70.486 28.596 15.596 1.00 0.00 H new ATOM 0 HG23 THR A 83 70.483 26.996 16.375 1.00 0.00 H new ATOM 1369 N ALA A 84 68.210 28.940 13.055 1.00 0.00 N ATOM 1370 CA ALA A 84 67.672 30.294 13.022 1.00 0.00 C ATOM 1371 C ALA A 84 66.148 30.280 13.051 1.00 0.00 C ATOM 1372 O ALA A 84 65.510 31.326 13.177 1.00 0.00 O ATOM 1373 CB ALA A 84 68.172 31.030 11.788 1.00 0.00 C ATOM 0 H ALA A 84 68.433 28.552 12.138 1.00 0.00 H new ATOM 0 HA ALA A 84 68.021 30.819 13.911 1.00 0.00 H new ATOM 0 HB1 ALA A 84 67.762 32.040 11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 84 69.261 31.080 11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 84 67.852 30.498 10.892 1.00 0.00 H new ATOM 1379 N SER A 85 65.569 29.089 12.933 1.00 0.00 N ATOM 1380 CA SER A 85 64.119 28.940 12.942 1.00 0.00 C ATOM 1381 C SER A 85 63.636 28.395 14.282 1.00 0.00 C ATOM 1382 O SER A 85 62.566 28.764 14.766 1.00 0.00 O ATOM 1383 CB SER A 85 63.674 28.011 11.810 1.00 0.00 C ATOM 1384 OG SER A 85 63.714 26.655 12.219 1.00 0.00 O ATOM 0 H SER A 85 66.082 28.214 12.830 1.00 0.00 H new ATOM 0 HA SER A 85 63.677 29.925 12.790 1.00 0.00 H new ATOM 0 HB2 SER A 85 62.662 28.271 11.498 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.320 28.152 10.944 1.00 0.00 H new ATOM 0 HG SER A 85 64.605 26.445 12.569 1.00 0.00 H new ATOM 1390 N ILE A 86 64.434 27.514 14.877 1.00 0.00 N ATOM 1391 CA ILE A 86 64.089 26.918 16.162 1.00 0.00 C ATOM 1392 C ILE A 86 63.832 27.991 17.214 1.00 0.00 C ATOM 1393 O ILE A 86 63.946 29.185 16.938 1.00 0.00 O ATOM 1394 CB ILE A 86 65.203 25.980 16.664 1.00 0.00 C ATOM 1395 CG1 ILE A 86 66.551 26.704 16.659 1.00 0.00 C ATOM 1396 CG2 ILE A 86 65.266 24.726 15.804 1.00 0.00 C ATOM 1397 CD1 ILE A 86 67.664 25.913 17.310 1.00 0.00 C ATOM 0 H ILE A 86 65.323 27.198 14.490 1.00 0.00 H new ATOM 0 HA ILE A 86 63.179 26.339 16.007 1.00 0.00 H new ATOM 0 HB ILE A 86 64.975 25.684 17.688 1.00 0.00 H new ATOM 0 HG12 ILE A 86 66.830 26.929 15.629 1.00 0.00 H new ATOM 0 HG13 ILE A 86 66.444 27.658 17.175 1.00 0.00 H new ATOM 0 HG21 ILE A 86 66.058 24.073 16.171 1.00 0.00 H new ATOM 0 HG22 ILE A 86 64.311 24.202 15.854 1.00 0.00 H new ATOM 0 HG23 ILE A 86 65.474 25.004 14.771 1.00 0.00 H new ATOM 0 HD11 ILE A 86 68.590 26.487 17.270 1.00 0.00 H new ATOM 0 HD12 ILE A 86 67.407 25.711 18.350 1.00 0.00 H new ATOM 0 HD13 ILE A 86 67.799 24.970 16.780 1.00 0.00 H new ATOM 1409 N ALA A 87 63.485 27.557 18.421 1.00 0.00 N ATOM 1410 CA ALA A 87 63.215 28.480 19.516 1.00 0.00 C ATOM 1411 C ALA A 87 64.368 29.459 19.706 1.00 0.00 C ATOM 1412 O ALA A 87 65.492 29.226 19.261 1.00 0.00 O ATOM 1413 CB ALA A 87 62.955 27.711 20.803 1.00 0.00 C ATOM 0 H ALA A 87 63.384 26.572 18.665 1.00 0.00 H new ATOM 0 HA ALA A 87 62.324 29.054 19.263 1.00 0.00 H new ATOM 0 HB1 ALA A 87 62.755 28.413 21.612 1.00 0.00 H new ATOM 0 HB2 ALA A 87 62.093 27.057 20.668 1.00 0.00 H new ATOM 0 HB3 ALA A 87 63.830 27.111 21.051 1.00 0.00 H new ATOM 1419 N PRO A 88 64.087 30.582 20.383 1.00 0.00 N ATOM 1420 CA PRO A 88 65.088 31.620 20.647 1.00 0.00 C ATOM 1421 C PRO A 88 66.144 31.164 21.649 1.00 0.00 C ATOM 1422 O PRO A 88 67.336 31.405 21.460 1.00 0.00 O ATOM 1423 CB PRO A 88 64.263 32.771 21.227 1.00 0.00 C ATOM 1424 CG PRO A 88 63.061 32.116 21.815 1.00 0.00 C ATOM 1425 CD PRO A 88 62.769 30.926 20.943 1.00 0.00 C ATOM 0 HA PRO A 88 65.644 31.888 19.749 1.00 0.00 H new ATOM 0 HB2 PRO A 88 64.825 33.319 21.983 1.00 0.00 H new ATOM 0 HB3 PRO A 88 63.985 33.488 20.454 1.00 0.00 H new ATOM 0 HG2 PRO A 88 63.248 31.809 22.844 1.00 0.00 H new ATOM 0 HG3 PRO A 88 62.214 32.802 21.836 1.00 0.00 H new ATOM 0 HD2 PRO A 88 62.348 30.100 21.517 1.00 0.00 H new ATOM 0 HD3 PRO A 88 62.050 31.168 20.160 1.00 0.00 H new ATOM 1433 N GLN A 89 65.698 30.505 22.713 1.00 0.00 N ATOM 1434 CA GLN A 89 66.606 30.016 23.744 1.00 0.00 C ATOM 1435 C GLN A 89 67.571 28.982 23.175 1.00 0.00 C ATOM 1436 O GLN A 89 68.679 28.809 23.681 1.00 0.00 O ATOM 1437 CB GLN A 89 65.815 29.409 24.904 1.00 0.00 C ATOM 1438 CG GLN A 89 65.091 28.123 24.539 1.00 0.00 C ATOM 1439 CD GLN A 89 64.401 27.483 25.728 1.00 0.00 C ATOM 1440 OE1 GLN A 89 65.047 27.109 26.708 1.00 0.00 O ATOM 1441 NE2 GLN A 89 63.082 27.354 25.649 1.00 0.00 N ATOM 0 H GLN A 89 64.714 30.297 22.884 1.00 0.00 H new ATOM 0 HA GLN A 89 67.186 30.862 24.112 1.00 0.00 H new ATOM 0 HB2 GLN A 89 66.495 29.211 25.732 1.00 0.00 H new ATOM 0 HB3 GLN A 89 65.086 30.139 25.257 1.00 0.00 H new ATOM 0 HG2 GLN A 89 64.353 28.333 23.765 1.00 0.00 H new ATOM 0 HG3 GLN A 89 65.805 27.417 24.115 1.00 0.00 H new ATOM 0 HE21 GLN A 89 62.587 27.678 24.818 1.00 0.00 H new ATOM 0 HE22 GLN A 89 62.564 26.931 26.419 1.00 0.00 H new ATOM 1450 N GLN A 90 67.141 28.297 22.120 1.00 0.00 N ATOM 1451 CA GLN A 90 67.967 27.279 21.482 1.00 0.00 C ATOM 1452 C GLN A 90 68.816 27.885 20.369 1.00 0.00 C ATOM 1453 O GLN A 90 69.851 27.334 19.994 1.00 0.00 O ATOM 1454 CB GLN A 90 67.091 26.159 20.919 1.00 0.00 C ATOM 1455 CG GLN A 90 66.436 25.302 21.991 1.00 0.00 C ATOM 1456 CD GLN A 90 67.437 24.463 22.760 1.00 0.00 C ATOM 1457 OE1 GLN A 90 67.786 24.779 23.898 1.00 0.00 O ATOM 1458 NE2 GLN A 90 67.906 23.386 22.141 1.00 0.00 N ATOM 0 H GLN A 90 66.226 28.429 21.689 1.00 0.00 H new ATOM 0 HA GLN A 90 68.634 26.863 22.237 1.00 0.00 H new ATOM 0 HB2 GLN A 90 66.315 26.597 20.291 1.00 0.00 H new ATOM 0 HB3 GLN A 90 67.699 25.521 20.277 1.00 0.00 H new ATOM 0 HG2 GLN A 90 65.897 25.946 22.686 1.00 0.00 H new ATOM 0 HG3 GLN A 90 65.699 24.647 21.527 1.00 0.00 H new ATOM 0 HE21 GLN A 90 67.589 23.162 21.198 1.00 0.00 H new ATOM 0 HE22 GLN A 90 68.583 22.783 22.609 1.00 0.00 H new ATOM 1467 N ARG A 91 68.370 29.022 19.844 1.00 0.00 N ATOM 1468 CA ARG A 91 69.087 29.701 18.772 1.00 0.00 C ATOM 1469 C ARG A 91 70.337 30.393 19.308 1.00 0.00 C ATOM 1470 O ARG A 91 70.377 31.618 19.429 1.00 0.00 O ATOM 1471 CB ARG A 91 68.178 30.725 18.090 1.00 0.00 C ATOM 1472 CG ARG A 91 68.844 31.459 16.938 1.00 0.00 C ATOM 1473 CD ARG A 91 68.195 32.812 16.690 1.00 0.00 C ATOM 1474 NE ARG A 91 66.943 32.690 15.946 1.00 0.00 N ATOM 1475 CZ ARG A 91 66.148 33.718 15.673 1.00 0.00 C ATOM 1476 NH1 ARG A 91 66.473 34.938 16.079 1.00 0.00 N ATOM 1477 NH2 ARG A 91 65.026 33.527 14.991 1.00 0.00 N ATOM 0 H ARG A 91 67.516 29.492 20.144 1.00 0.00 H new ATOM 0 HA ARG A 91 69.391 28.952 18.041 1.00 0.00 H new ATOM 0 HB2 ARG A 91 67.287 30.218 17.720 1.00 0.00 H new ATOM 0 HB3 ARG A 91 67.846 31.453 18.830 1.00 0.00 H new ATOM 0 HG2 ARG A 91 69.903 31.597 17.157 1.00 0.00 H new ATOM 0 HG3 ARG A 91 68.781 30.853 16.034 1.00 0.00 H new ATOM 0 HD2 ARG A 91 68.003 33.303 17.644 1.00 0.00 H new ATOM 0 HD3 ARG A 91 68.885 33.449 16.137 1.00 0.00 H new ATOM 0 HE ARG A 91 66.665 31.765 15.619 1.00 0.00 H new ATOM 0 HH11 ARG A 91 67.335 35.088 16.602 1.00 0.00 H new ATOM 0 HH12 ARG A 91 65.860 35.726 15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 91 64.774 32.590 14.676 1.00 0.00 H new ATOM 0 HH22 ARG A 91 64.416 34.317 14.782 1.00 0.00 H new ATOM 1491 N ARG A 92 71.355 29.601 19.628 1.00 0.00 N ATOM 1492 CA ARG A 92 72.605 30.137 20.153 1.00 0.00 C ATOM 1493 C ARG A 92 73.749 29.913 19.168 1.00 0.00 C ATOM 1494 O ARG A 92 74.713 29.211 19.469 1.00 0.00 O ATOM 1495 CB ARG A 92 72.940 29.486 21.496 1.00 0.00 C ATOM 1496 CG ARG A 92 72.916 27.967 21.459 1.00 0.00 C ATOM 1497 CD ARG A 92 73.240 27.372 22.821 1.00 0.00 C ATOM 1498 NE ARG A 92 72.327 27.847 23.857 1.00 0.00 N ATOM 1499 CZ ARG A 92 72.422 27.500 25.136 1.00 0.00 C ATOM 1500 NH1 ARG A 92 73.385 26.680 25.534 1.00 0.00 N ATOM 1501 NH2 ARG A 92 71.554 27.974 26.020 1.00 0.00 N ATOM 0 H ARG A 92 71.339 28.586 19.533 1.00 0.00 H new ATOM 0 HA ARG A 92 72.478 31.210 20.299 1.00 0.00 H new ATOM 0 HB2 ARG A 92 73.928 29.818 21.815 1.00 0.00 H new ATOM 0 HB3 ARG A 92 72.230 29.834 22.246 1.00 0.00 H new ATOM 0 HG2 ARG A 92 71.933 27.625 21.136 1.00 0.00 H new ATOM 0 HG3 ARG A 92 73.636 27.608 20.723 1.00 0.00 H new ATOM 0 HD2 ARG A 92 73.188 26.285 22.763 1.00 0.00 H new ATOM 0 HD3 ARG A 92 74.264 27.628 23.094 1.00 0.00 H new ATOM 0 HE ARG A 92 71.575 28.480 23.584 1.00 0.00 H new ATOM 0 HH11 ARG A 92 74.055 26.314 24.858 1.00 0.00 H new ATOM 0 HH12 ARG A 92 73.456 26.415 26.516 1.00 0.00 H new ATOM 0 HH21 ARG A 92 70.812 28.606 25.718 1.00 0.00 H new ATOM 0 HH22 ARG A 92 71.628 27.707 27.002 1.00 0.00 H new ATOM 1515 N GLY A 93 73.633 30.515 17.988 1.00 0.00 N ATOM 1516 CA GLY A 93 74.663 30.368 16.976 1.00 0.00 C ATOM 1517 C GLY A 93 75.728 31.443 17.073 1.00 0.00 C ATOM 1518 O GLY A 93 75.745 32.225 18.023 1.00 0.00 O ATOM 0 H GLY A 93 72.844 31.102 17.715 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.130 29.388 17.077 1.00 0.00 H new ATOM 0 HA3 GLY A 93 74.205 30.403 15.988 1.00 0.00 H new ATOM 1522 N ALA A 94 76.620 31.481 16.088 1.00 0.00 N ATOM 1523 CA ALA A 94 77.693 32.467 16.066 1.00 0.00 C ATOM 1524 C ALA A 94 77.140 33.882 16.205 1.00 0.00 C ATOM 1525 O ALA A 94 75.960 34.139 15.969 1.00 0.00 O ATOM 1526 CB ALA A 94 78.502 32.338 14.784 1.00 0.00 C ATOM 0 H ALA A 94 76.620 30.840 15.295 1.00 0.00 H new ATOM 0 HA ALA A 94 78.348 32.275 16.916 1.00 0.00 H new ATOM 0 HB1 ALA A 94 79.300 33.081 14.781 1.00 0.00 H new ATOM 0 HB2 ALA A 94 78.935 31.339 14.726 1.00 0.00 H new ATOM 0 HB3 ALA A 94 77.851 32.501 13.925 1.00 0.00 H new ATOM 1532 N PRO A 95 78.012 34.822 16.599 1.00 0.00 N ATOM 1533 CA PRO A 95 77.634 36.227 16.778 1.00 0.00 C ATOM 1534 C PRO A 95 77.333 36.920 15.454 1.00 0.00 C ATOM 1535 O PRO A 95 78.155 37.678 14.938 1.00 0.00 O ATOM 1536 CB PRO A 95 78.869 36.845 17.438 1.00 0.00 C ATOM 1537 CG PRO A 95 80.001 35.975 17.014 1.00 0.00 C ATOM 1538 CD PRO A 95 79.435 34.587 16.898 1.00 0.00 C ATOM 0 HA PRO A 95 76.722 36.332 17.366 1.00 0.00 H new ATOM 0 HB2 PRO A 95 79.018 37.875 17.113 1.00 0.00 H new ATOM 0 HB3 PRO A 95 78.770 36.865 18.523 1.00 0.00 H new ATOM 0 HG2 PRO A 95 80.414 36.309 16.062 1.00 0.00 H new ATOM 0 HG3 PRO A 95 80.811 36.006 17.742 1.00 0.00 H new ATOM 0 HD2 PRO A 95 79.923 34.019 16.106 1.00 0.00 H new ATOM 0 HD3 PRO A 95 79.564 34.022 17.821 1.00 0.00 H new ATOM 1546 N VAL A 96 76.151 36.656 14.908 1.00 0.00 N ATOM 1547 CA VAL A 96 75.741 37.256 13.644 1.00 0.00 C ATOM 1548 C VAL A 96 74.446 38.045 13.804 1.00 0.00 C ATOM 1549 O VAL A 96 73.652 37.804 14.713 1.00 0.00 O ATOM 1550 CB VAL A 96 75.546 36.187 12.552 1.00 0.00 C ATOM 1551 CG1 VAL A 96 76.887 35.773 11.964 1.00 0.00 C ATOM 1552 CG2 VAL A 96 74.806 34.983 13.113 1.00 0.00 C ATOM 0 H VAL A 96 75.460 36.030 15.321 1.00 0.00 H new ATOM 0 HA VAL A 96 76.540 37.933 13.341 1.00 0.00 H new ATOM 0 HB VAL A 96 74.943 36.615 11.752 1.00 0.00 H new ATOM 0 HG11 VAL A 96 76.729 35.017 11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 96 77.375 36.642 11.524 1.00 0.00 H new ATOM 0 HG13 VAL A 96 77.518 35.362 12.752 1.00 0.00 H new ATOM 0 HG21 VAL A 96 74.677 34.237 12.328 1.00 0.00 H new ATOM 0 HG22 VAL A 96 75.381 34.552 13.932 1.00 0.00 H new ATOM 0 HG23 VAL A 96 73.829 35.296 13.481 1.00 0.00 H new ATOM 1562 N PRO A 97 74.227 39.011 12.900 1.00 0.00 N ATOM 1563 CA PRO A 97 73.028 39.855 12.918 1.00 0.00 C ATOM 1564 C PRO A 97 71.769 39.082 12.543 1.00 0.00 C ATOM 1565 O PRO A 97 71.840 38.050 11.878 1.00 0.00 O ATOM 1566 CB PRO A 97 73.332 40.926 11.867 1.00 0.00 C ATOM 1567 CG PRO A 97 74.306 40.282 10.942 1.00 0.00 C ATOM 1568 CD PRO A 97 75.131 39.354 11.789 1.00 0.00 C ATOM 0 HA PRO A 97 72.828 40.258 13.911 1.00 0.00 H new ATOM 0 HB2 PRO A 97 72.428 41.232 11.340 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.753 41.822 12.324 1.00 0.00 H new ATOM 0 HG2 PRO A 97 73.791 39.735 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 97 74.934 41.028 10.456 1.00 0.00 H new ATOM 0 HD2 PRO A 97 75.438 38.468 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 97 76.041 39.837 12.146 1.00 0.00 H new ATOM 1576 N GLN A 98 70.618 39.590 12.974 1.00 0.00 N ATOM 1577 CA GLN A 98 69.343 38.946 12.682 1.00 0.00 C ATOM 1578 C GLN A 98 69.089 38.896 11.179 1.00 0.00 C ATOM 1579 O GLN A 98 68.389 38.012 10.688 1.00 0.00 O ATOM 1580 CB GLN A 98 68.202 39.687 13.380 1.00 0.00 C ATOM 1581 CG GLN A 98 68.169 39.474 14.885 1.00 0.00 C ATOM 1582 CD GLN A 98 66.782 39.655 15.470 1.00 0.00 C ATOM 1583 OE1 GLN A 98 66.132 38.688 15.868 1.00 0.00 O ATOM 1584 NE2 GLN A 98 66.320 40.899 15.525 1.00 0.00 N ATOM 0 H GLN A 98 70.543 40.445 13.526 1.00 0.00 H new ATOM 0 HA GLN A 98 69.387 37.924 13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 98 68.293 40.754 13.174 1.00 0.00 H new ATOM 0 HB3 GLN A 98 67.253 39.360 12.954 1.00 0.00 H new ATOM 0 HG2 GLN A 98 68.528 38.470 15.114 1.00 0.00 H new ATOM 0 HG3 GLN A 98 68.855 40.174 15.362 1.00 0.00 H new ATOM 0 HE21 GLN A 98 66.892 41.671 15.184 1.00 0.00 H new ATOM 0 HE22 GLN A 98 65.393 41.082 15.908 1.00 0.00 H new ATOM 1593 N GLU A 99 69.663 39.852 10.455 1.00 0.00 N ATOM 1594 CA GLU A 99 69.497 39.918 9.008 1.00 0.00 C ATOM 1595 C GLU A 99 69.812 38.571 8.363 1.00 0.00 C ATOM 1596 O GLU A 99 69.077 38.099 7.494 1.00 0.00 O ATOM 1597 CB GLU A 99 70.400 41.002 8.417 1.00 0.00 C ATOM 1598 CG GLU A 99 71.863 40.849 8.796 1.00 0.00 C ATOM 1599 CD GLU A 99 72.539 42.179 9.066 1.00 0.00 C ATOM 1600 OE1 GLU A 99 72.007 42.961 9.882 1.00 0.00 O ATOM 1601 OE2 GLU A 99 73.600 42.439 8.461 1.00 0.00 O ATOM 0 H GLU A 99 70.247 40.591 10.847 1.00 0.00 H new ATOM 0 HA GLU A 99 68.457 40.168 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 99 70.311 40.985 7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 99 70.047 41.978 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 99 71.941 40.220 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 99 72.390 40.334 7.993 1.00 0.00 H new ATOM 1608 N LEU A 100 70.909 37.958 8.793 1.00 0.00 N ATOM 1609 CA LEU A 100 71.323 36.665 8.258 1.00 0.00 C ATOM 1610 C LEU A 100 70.213 35.630 8.416 1.00 0.00 C ATOM 1611 O LEU A 100 69.951 34.843 7.506 1.00 0.00 O ATOM 1612 CB LEU A 100 72.591 36.182 8.964 1.00 0.00 C ATOM 1613 CG LEU A 100 73.777 37.147 8.948 1.00 0.00 C ATOM 1614 CD1 LEU A 100 75.077 36.399 9.203 1.00 0.00 C ATOM 1615 CD2 LEU A 100 73.840 37.893 7.623 1.00 0.00 C ATOM 0 H LEU A 100 71.528 38.335 9.511 1.00 0.00 H new ATOM 0 HA LEU A 100 71.531 36.788 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 100 72.343 35.960 10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 100 72.904 35.245 8.504 1.00 0.00 H new ATOM 0 HG LEU A 100 73.638 37.876 9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 100 75.910 37.102 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 100 75.031 35.911 10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 100 75.222 35.647 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 100 74.690 38.575 7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 100 73.955 37.178 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 100 72.920 38.461 7.481 1.00 0.00 H new ATOM 1627 N LEU A 101 69.564 35.639 9.574 1.00 0.00 N ATOM 1628 CA LEU A 101 68.480 34.702 9.851 1.00 0.00 C ATOM 1629 C LEU A 101 67.211 35.102 9.105 1.00 0.00 C ATOM 1630 O LEU A 101 66.369 34.258 8.796 1.00 0.00 O ATOM 1631 CB LEU A 101 68.204 34.641 11.354 1.00 0.00 C ATOM 1632 CG LEU A 101 69.378 34.214 12.236 1.00 0.00 C ATOM 1633 CD1 LEU A 101 70.383 33.405 11.431 1.00 0.00 C ATOM 1634 CD2 LEU A 101 70.046 35.430 12.860 1.00 0.00 C ATOM 0 H LEU A 101 69.769 36.284 10.337 1.00 0.00 H new ATOM 0 HA LEU A 101 68.788 33.716 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.869 35.625 11.682 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.378 33.950 11.524 1.00 0.00 H new ATOM 0 HG LEU A 101 68.995 33.584 13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.212 33.110 12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 101 69.897 32.514 11.033 1.00 0.00 H new ATOM 0 HD13 LEU A 101 70.761 34.011 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.879 35.107 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.416 36.086 12.072 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.322 35.969 13.471 1.00 0.00 H new ATOM 1646 N ASP A 102 67.083 36.392 8.816 1.00 0.00 N ATOM 1647 CA ASP A 102 65.918 36.903 8.102 1.00 0.00 C ATOM 1648 C ASP A 102 66.000 36.568 6.616 1.00 0.00 C ATOM 1649 O ASP A 102 64.989 36.272 5.980 1.00 0.00 O ATOM 1650 CB ASP A 102 65.802 38.417 8.290 1.00 0.00 C ATOM 1651 CG ASP A 102 64.411 38.934 7.980 1.00 0.00 C ATOM 1652 OD1 ASP A 102 63.492 38.689 8.791 1.00 0.00 O ATOM 1653 OD2 ASP A 102 64.241 39.583 6.928 1.00 0.00 O ATOM 0 H ASP A 102 67.771 37.103 9.065 1.00 0.00 H new ATOM 0 HA ASP A 102 65.031 36.424 8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 102 66.061 38.674 9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 102 66.524 38.917 7.645 1.00 0.00 H new ATOM 1658 N ARG A 103 67.211 36.617 6.070 1.00 0.00 N ATOM 1659 CA ARG A 103 67.425 36.320 4.659 1.00 0.00 C ATOM 1660 C ARG A 103 67.325 34.821 4.397 1.00 0.00 C ATOM 1661 O ARG A 103 66.738 34.391 3.403 1.00 0.00 O ATOM 1662 CB ARG A 103 68.792 36.838 4.209 1.00 0.00 C ATOM 1663 CG ARG A 103 69.952 36.272 5.012 1.00 0.00 C ATOM 1664 CD ARG A 103 71.285 36.824 4.531 1.00 0.00 C ATOM 1665 NE ARG A 103 71.276 38.282 4.450 1.00 0.00 N ATOM 1666 CZ ARG A 103 72.129 38.982 3.711 1.00 0.00 C ATOM 1667 NH1 ARG A 103 73.055 38.361 2.993 1.00 0.00 N ATOM 1668 NH2 ARG A 103 72.058 40.307 3.689 1.00 0.00 N ATOM 0 H ARG A 103 68.058 36.859 6.583 1.00 0.00 H new ATOM 0 HA ARG A 103 66.647 36.823 4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 103 68.936 36.593 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 103 68.803 37.925 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 103 69.817 36.512 6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 103 69.956 35.185 4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 103 72.076 36.503 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 103 71.517 36.408 3.551 1.00 0.00 H new ATOM 0 HE ARG A 103 70.576 38.791 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 103 73.114 37.343 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 103 73.709 38.902 2.426 1.00 0.00 H new ATOM 0 HH21 ARG A 103 71.348 40.789 4.240 1.00 0.00 H new ATOM 0 HH22 ARG A 103 72.714 40.844 3.121 1.00 0.00 H new ATOM 1682 N VAL A 104 67.903 34.028 5.295 1.00 0.00 N ATOM 1683 CA VAL A 104 67.878 32.577 5.161 1.00 0.00 C ATOM 1684 C VAL A 104 66.474 32.028 5.384 1.00 0.00 C ATOM 1685 O VAL A 104 66.032 31.117 4.683 1.00 0.00 O ATOM 1686 CB VAL A 104 68.844 31.906 6.156 1.00 0.00 C ATOM 1687 CG1 VAL A 104 70.263 32.410 5.946 1.00 0.00 C ATOM 1688 CG2 VAL A 104 68.389 32.150 7.587 1.00 0.00 C ATOM 0 H VAL A 104 68.394 34.367 6.122 1.00 0.00 H new ATOM 0 HA VAL A 104 68.197 32.347 4.144 1.00 0.00 H new ATOM 0 HB VAL A 104 68.836 30.831 5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 104 70.931 31.925 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 104 70.585 32.178 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 104 70.292 33.489 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 104 69.083 31.669 8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 104 68.366 33.222 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 104 67.391 31.734 7.727 1.00 0.00 H new ATOM 1698 N LEU A 105 65.775 32.588 6.366 1.00 0.00 N ATOM 1699 CA LEU A 105 64.418 32.155 6.682 1.00 0.00 C ATOM 1700 C LEU A 105 63.441 32.586 5.592 1.00 0.00 C ATOM 1701 O LEU A 105 62.688 31.770 5.062 1.00 0.00 O ATOM 1702 CB LEU A 105 63.980 32.728 8.031 1.00 0.00 C ATOM 1703 CG LEU A 105 64.571 32.055 9.270 1.00 0.00 C ATOM 1704 CD1 LEU A 105 64.169 32.806 10.529 1.00 0.00 C ATOM 1705 CD2 LEU A 105 64.128 30.601 9.349 1.00 0.00 C ATOM 0 H LEU A 105 66.125 33.342 6.957 1.00 0.00 H new ATOM 0 HA LEU A 105 64.414 31.066 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 105 64.243 33.786 8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 105 62.893 32.668 8.093 1.00 0.00 H new ATOM 0 HG LEU A 105 65.658 32.079 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 105 64.599 32.312 11.400 1.00 0.00 H new ATOM 0 HD12 LEU A 105 64.537 33.831 10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 105 63.083 32.815 10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 105 64.558 30.137 10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 105 63.040 30.555 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 105 64.468 30.068 8.461 1.00 0.00 H new ATOM 1717 N ALA A 106 63.462 33.873 5.262 1.00 0.00 N ATOM 1718 CA ALA A 106 62.581 34.411 4.232 1.00 0.00 C ATOM 1719 C ALA A 106 62.749 33.657 2.917 1.00 0.00 C ATOM 1720 O ALA A 106 61.769 33.238 2.303 1.00 0.00 O ATOM 1721 CB ALA A 106 62.851 35.895 4.030 1.00 0.00 C ATOM 0 H ALA A 106 64.079 34.562 5.692 1.00 0.00 H new ATOM 0 HA ALA A 106 61.551 34.282 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 106 62.187 36.284 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 106 62.673 36.428 4.964 1.00 0.00 H new ATOM 0 HB3 ALA A 106 63.887 36.038 3.722 1.00 0.00 H new ATOM 1727 N ALA A 107 63.996 33.490 2.492 1.00 0.00 N ATOM 1728 CA ALA A 107 64.292 32.785 1.250 1.00 0.00 C ATOM 1729 C ALA A 107 63.807 31.341 1.310 1.00 0.00 C ATOM 1730 O ALA A 107 63.220 30.834 0.355 1.00 0.00 O ATOM 1731 CB ALA A 107 65.784 32.832 0.959 1.00 0.00 C ATOM 0 H ALA A 107 64.818 33.833 2.989 1.00 0.00 H new ATOM 0 HA ALA A 107 63.760 33.286 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 107 65.990 32.302 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 107 66.104 33.870 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 107 66.329 32.358 1.775 1.00 0.00 H new ATOM 1737 N GLN A 108 64.059 30.683 2.438 1.00 0.00 N ATOM 1738 CA GLN A 108 63.649 29.296 2.621 1.00 0.00 C ATOM 1739 C GLN A 108 62.157 29.129 2.349 1.00 0.00 C ATOM 1740 O GLN A 108 61.744 28.207 1.646 1.00 0.00 O ATOM 1741 CB GLN A 108 63.977 28.828 4.039 1.00 0.00 C ATOM 1742 CG GLN A 108 63.853 27.324 4.228 1.00 0.00 C ATOM 1743 CD GLN A 108 62.411 26.861 4.289 1.00 0.00 C ATOM 1744 OE1 GLN A 108 61.571 27.489 4.935 1.00 0.00 O ATOM 1745 NE2 GLN A 108 62.115 25.756 3.615 1.00 0.00 N ATOM 0 H GLN A 108 64.545 31.088 3.238 1.00 0.00 H new ATOM 0 HA GLN A 108 64.200 28.683 1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 108 64.993 29.134 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 108 63.312 29.330 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 108 64.360 26.816 3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 108 64.363 27.034 5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 108 62.842 25.267 3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 108 61.161 25.396 3.619 1.00 0.00 H new ATOM 1754 N ALA A 109 61.354 30.026 2.912 1.00 0.00 N ATOM 1755 CA ALA A 109 59.909 29.978 2.729 1.00 0.00 C ATOM 1756 C ALA A 109 59.519 30.415 1.321 1.00 0.00 C ATOM 1757 O ALA A 109 58.617 29.841 0.710 1.00 0.00 O ATOM 1758 CB ALA A 109 59.217 30.851 3.766 1.00 0.00 C ATOM 0 H ALA A 109 61.680 30.794 3.498 1.00 0.00 H new ATOM 0 HA ALA A 109 59.584 28.946 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 109 58.138 30.806 3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 109 59.461 30.492 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 109 59.555 31.882 3.658 1.00 0.00 H new ATOM 1764 N TYR A 110 60.202 31.434 0.813 1.00 0.00 N ATOM 1765 CA TYR A 110 59.925 31.950 -0.522 1.00 0.00 C ATOM 1766 C TYR A 110 60.023 30.841 -1.566 1.00 0.00 C ATOM 1767 O TYR A 110 59.187 30.744 -2.465 1.00 0.00 O ATOM 1768 CB TYR A 110 60.898 33.078 -0.868 1.00 0.00 C ATOM 1769 CG TYR A 110 60.434 34.441 -0.404 1.00 0.00 C ATOM 1770 CD1 TYR A 110 59.148 34.890 -0.678 1.00 0.00 C ATOM 1771 CD2 TYR A 110 61.282 35.279 0.310 1.00 0.00 C ATOM 1772 CE1 TYR A 110 58.721 36.134 -0.256 1.00 0.00 C ATOM 1773 CE2 TYR A 110 60.863 36.524 0.737 1.00 0.00 C ATOM 1774 CZ TYR A 110 59.582 36.947 0.451 1.00 0.00 C ATOM 1775 OH TYR A 110 59.160 38.187 0.874 1.00 0.00 O ATOM 0 H TYR A 110 60.952 31.919 1.306 1.00 0.00 H new ATOM 0 HA TYR A 110 58.908 32.342 -0.528 1.00 0.00 H new ATOM 0 HB2 TYR A 110 61.867 32.861 -0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 110 61.045 33.101 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 110 58.471 34.256 -1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 110 62.286 34.951 0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 110 57.718 36.468 -0.478 1.00 0.00 H new ATOM 0 HE2 TYR A 110 61.535 37.162 1.292 1.00 0.00 H new ATOM 0 HH TYR A 110 59.886 38.632 1.359 1.00 0.00 H new ATOM 1785 N TRP A 111 61.049 30.008 -1.439 1.00 0.00 N ATOM 1786 CA TRP A 111 61.257 28.904 -2.370 1.00 0.00 C ATOM 1787 C TRP A 111 60.483 27.667 -1.929 1.00 0.00 C ATOM 1788 O TRP A 111 60.238 26.761 -2.726 1.00 0.00 O ATOM 1789 CB TRP A 111 62.747 28.577 -2.480 1.00 0.00 C ATOM 1790 CG TRP A 111 63.593 29.767 -2.818 1.00 0.00 C ATOM 1791 CD1 TRP A 111 64.717 30.185 -2.165 1.00 0.00 C ATOM 1792 CD2 TRP A 111 63.381 30.693 -3.889 1.00 0.00 C ATOM 1793 NE1 TRP A 111 65.217 31.315 -2.765 1.00 0.00 N ATOM 1794 CE2 TRP A 111 64.416 31.647 -3.826 1.00 0.00 C ATOM 1795 CE3 TRP A 111 62.420 30.808 -4.897 1.00 0.00 C ATOM 1796 CZ2 TRP A 111 64.514 32.700 -4.732 1.00 0.00 C ATOM 1797 CZ3 TRP A 111 62.518 31.854 -5.794 1.00 0.00 C ATOM 1798 CH2 TRP A 111 63.558 32.789 -5.707 1.00 0.00 C ATOM 0 H TRP A 111 61.750 30.075 -0.701 1.00 0.00 H new ATOM 0 HA TRP A 111 60.887 29.211 -3.348 1.00 0.00 H new ATOM 0 HB2 TRP A 111 63.089 28.153 -1.536 1.00 0.00 H new ATOM 0 HB3 TRP A 111 62.888 27.811 -3.243 1.00 0.00 H new ATOM 0 HD1 TRP A 111 65.149 29.699 -1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 111 66.050 31.824 -2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 111 61.615 30.092 -4.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 65.316 33.421 -4.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 61.780 31.953 -6.576 1.00 0.00 H new ATOM 0 HH2 TRP A 111 63.606 33.596 -6.423 1.00 0.00 H new ATOM 1809 N SER A 112 60.101 27.635 -0.657 1.00 0.00 N ATOM 1810 CA SER A 112 59.358 26.506 -0.110 1.00 0.00 C ATOM 1811 C SER A 112 58.057 26.289 -0.876 1.00 0.00 C ATOM 1812 O SER A 112 57.953 25.382 -1.702 1.00 0.00 O ATOM 1813 CB SER A 112 59.058 26.736 1.373 1.00 0.00 C ATOM 1814 OG SER A 112 58.239 25.703 1.894 1.00 0.00 O ATOM 0 H SER A 112 60.294 28.378 0.015 1.00 0.00 H new ATOM 0 HA SER A 112 59.974 25.613 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 112 59.992 26.782 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 112 58.562 27.698 1.502 1.00 0.00 H new ATOM 0 HG SER A 112 58.063 25.872 2.843 1.00 0.00 H new